| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.9 | Very low | 62.6 | Low | 221 Ų | 221 | 103.7 Ų | 103.7 | 100% | 1.089 | 58% | 0.582 | S | S | * | * | 0 | 94 | 0 | -68.8 | -59.5 | -175.7 | 0 | 0 | 108.6 | S3 | M1-S3 PolarHBondContact O-N 3.32Š| |||
| 2 | P | 38.4 | Very low | 64.4 | Low | 124 Ų | 124 | 108 Ų | 108 | 81% | 0.805 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 119.6 | -177.9 | 27.5 | -28.9 | 0 | 0 | 0 | 109.4 | ||
| 3 | S | 46.5 | Very low | 66.3 | Low | 84 Ų | 84 | 101.8 Ų | 101.8 | 59% | 0.587 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.1 | 69.1 | -180 | 69.5 | 0 | 0 | 0 | 0 | 117 | M1 M5 | M1-S3 PolarHBondContact O-N 3.32Å; S3-M5 PolarHBondContact O-N 3.18Å |
| 4 | D | 49.3 | Very low | 67.9 | Low | 117 Ų | 117 | 100.4 Ų | 100.4 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | trans | -63 | 96.3 | 140.6 | -172.1 | -0.8 | 0 | 0 | 0 | 106 | R6 | D4-R6 PolarHBondContact O-N 2.91Å; D4-R6 VanDerWaalsContact O-N 3.08Å; D4-R6 VanDerWaalsContact OD1-CB 3.28Å; D4-R6 WeakPolarHBondContact OD1-CB 3.34Å; D4-R6 WeakPolarHBondContact OD1-CD 3.48Å; D4-R6 WeakPolarHBondContact OD1-CG 3.12Å; D4-R6 PolarHBondContact OD1-N 2.75Å | ||
| 5 | M | 58.4 | Low | 69.4 | Low | 118 Ų | 118 | 94.9 Ų | 94.9 | 58% | 0.581 | 51% | 0.508 | S | S | * | . | trans | -70.4 | 4.2 | -178.2 | -70.8 | -161.2 | 69.3 | 0 | 0 | 112.5 | S3 R7 V51 | S3-M5 PolarHBondContact O-N 3.18Å; M5-R7 PolarHBondContact O-N 3Å; M5-V51 HydrophobicContact CB-CB 4.32Å; M5-V51 HydrophobicContact CB-CG1 4.48Å | ||
| 6 | R | 65.8 | Low | 70.9 | Confident | 111 Ų | 111 | 93.1 Ų | 93.1 | 42% | 0.419 | 50% | 0.502 | S | S | . | . | trans | -68.1 | 127.5 | 174.5 | -67.3 | 177 | -177.3 | -174.6 | 5.4 | 110.1 | D4 V51 Q54 | D4-R6 PolarHBondContact O-N 2.91Å; D4-R6 VanDerWaalsContact O-N 3.08Å; D4-R6 VanDerWaalsContact OD1-CB 3.28Å; D4-R6 WeakPolarHBondContact OD1-CB 3.34Å; D4-R6 WeakPolarHBondContact OD1-CD 3.48Å; D4-R6 WeakPolarHBondContact OD1-CG 3.12Å; D4-R6 PolarHBondContact OD1-N 2.75Å; R6-V51 HydrophobicContact CG-CG2 3.81Å; R6-Q54 VanDerWaalsContact CA-OE1 3.25Å | ||
| 7 | R | 75.5 | Confident | 72.3 | Confident | 107 Ų | 107 | 87.7 Ų | 87.7 | 40% | 0.404 | 47% | 0.472 | S | S | . | . | trans | -62.6 | 139.5 | 171.6 | -67.4 | 178.5 | 169.8 | -167.4 | -9.8 | 109 | M5 C9 M10 S11 Q54 E59 | M5-R7 PolarHBondContact O-N 3Å; R7-C9 PolarHBondContact O-N 2.8Å; R7-C9 VanDerWaalsContact O-N 3.16Å; R7-M10 HydrophobicContact CB-CB 4.48Å; R7-M10 HydrophobicContact CB-CG 4.36Å; R7-M10 WeakPolarHBondContact O-CA 3.36Å; R7-M10 WeakPolarHBondContact O-CB 3.26Å; R7-M10 PolarHBondContact O-N 3.18Å; R7-S11 PolarHBondContact O-N 3.38Å; R7-Q54 PolarHBondContact NH1-O 2.84Å; R7-E59 IonicContact CZ-OE1 3.41Å; R7-E59 IonicContact NH1-OE1 3.92Å; R7-E59 PolarHBondContact NH1-OE1 2.79Å; R7-E59 IonicContact NH1-OE2 3.01Å; R7-E59 PolarHBondContact NH1-OE2 3.11Å | ||
| 8 | A | 76.3 | Confident | 73.6 | Confident | 89 Ų | 89 | 82.8 Ų | 82.8 | 74% | 0.736 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -55.6 | -36 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M10 S11 | A8-M10 PolarHBondContact O-N 3.31Å; A8-S11 VanDerWaalsContact O-CB 3.28Å; A8-S11 WeakPolarHBondContact O-CB 3.3Å; A8-S11 PolarHBondContact O-N 2.99Å; A8-S11 PolarHBondContact O-OG 3.42Å |
| 9 | C | 79.4 | Confident | 74.8 | Confident | 75 Ų | 75 | 78.7 Ų | 78.7 | 51% | 0.507 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -63.4 | -23 | 174.7 | 58.7 | 0 | 0 | 0 | 0 | 113.8 | R7 T56 | R7-C9 PolarHBondContact O-N 2.8Å; R7-C9 VanDerWaalsContact O-N 3.16Å; C9-T56 HydrophobicContact CB-CG2 4.39Å |
| 10 | M | 83.5 | Confident | 75.8 | Confident | 5 Ų | 5 | 75.8 Ų | 75.8 | 3% | 0.025 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -95.8 | 2 | 179.1 | -68.7 | -67.7 | -77.4 | 0 | 0 | 113.1 | R7 A8 K12 N13 L39 Q54 T56 | R7-M10 HydrophobicContact CB-CB 4.48Å; R7-M10 HydrophobicContact CB-CG 4.36Å; R7-M10 WeakPolarHBondContact O-CA 3.36Å; R7-M10 WeakPolarHBondContact O-CB 3.26Å; R7-M10 PolarHBondContact O-N 3.18Å; A8-M10 PolarHBondContact O-N 3.31Å; M10-K12 PolarHBondContact O-N 3.38Å; M10-N13 HydrophobicContact CE-CB 4Å; M10-N13 WeakPolarHBondContact CE-ND2 3.31Å; M10-N13 WeakPolarHBondContact O-CB 3.46Å; M10-N13 PolarHBondContact O-N 2.96Å; M10-N13 HydrophobicContact SD-CB 4.37Å; M10-L39 HydrophobicContact SD-CB 4.11Å; M10-Q54 HydrophobicContact CG-CB 4.42Å; M10-T56 HydrophobicContact CG-CG2 4.24Å; M10-T56 HydrophobicContact SD-CG2 3.82Å |
| 11 | S | 79.8 | Confident | 76.8 | Confident | 90 Ų | 90 | 72.2 Ų | 72.2 | 63% | 0.629 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -32.2 | -178.1 | 56.9 | 0 | 0 | 0 | 0 | 114.1 | R7 A8 | R7-S11 PolarHBondContact O-N 3.38Å; A8-S11 VanDerWaalsContact O-CB 3.28Å; A8-S11 WeakPolarHBondContact O-CB 3.3Å; A8-S11 PolarHBondContact O-N 2.99Å; A8-S11 PolarHBondContact O-OG 3.42Å |
| 12 | K | 84.4 | Confident | 79.5 | Confident | 155 Ų | 155 | 62.4 Ų | 62.4 | 67% | 0.674 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 2.4 | 178.2 | -65.9 | -178.3 | -178.6 | 176.6 | 0 | 113.7 | M10 R14 L39 | M10-K12 PolarHBondContact O-N 3.38Å; K12-R14 PolarHBondContact O-N 3.07Å; K12-L39 HydrophobicContact CB-CD1 4.04Å |
| 13 | N | 89 | Confident | 82.2 | Confident | 28 Ų | 28 | 57.9 Ų | 57.9 | 15% | 0.15 | 31% | 0.309 | C | S | . | . | trans | -65 | 130.6 | -178.3 | -172.7 | 44.3 | 0 | 0 | 0 | 110.4 | M10 G37 T38 L39 | M10-N13 HydrophobicContact CE-CB 4Å; M10-N13 WeakPolarHBondContact CE-ND2 3.31Å; M10-N13 WeakPolarHBondContact O-CB 3.46Å; M10-N13 PolarHBondContact O-N 2.96Å; M10-N13 HydrophobicContact SD-CB 4.37Å; N13-G37 WeakPolarHBondContact OD1-CA 3.23Å; N13-T38 PolarHBondContact OD1-N 2.93Å; N13-L39 HydrophobicContact CB-CB 4.14Å; N13-L39 HydrophobicContact CB-CD1 4.23Å; N13-L39 HydrophobicContact CB-CG 4.38Å; N13-L39 PolarHBondContact OD1-N 3Å | ||
| 14 | R | 88.3 | Confident | 84.2 | Confident | 81 Ų | 81 | 55.3 Ų | 55.3 | 31% | 0.306 | 29% | 0.288 | S | S | . | . | trans | -107 | 126.8 | 170.4 | -60.4 | -171.7 | -169.2 | -165.7 | 6.2 | 108.5 | K12 G37 T38 R443 S447 | K12-R14 PolarHBondContact O-N 3.07Å; R14-G37 CarbonylContact O-C 3.51Å; R14-G37 WeakPolarHBondContact O-CA 3.4Å; R14-T38 HydrophobicContact CB-CG2 4.03Å; R14-T38 PolarHBondContact N-OG1 3.25Å; R14-T38 VanDerWaalsContact N-OG1 3.07Å; R14-T38 PolarHBondContact O-N 3.31Å; R14-R443 HydrophobicContact CG-CG 4.29Å; R14-R443 VanDerWaalsContact NE-CG 3.29Å; R14-R443 PolarHBondContact NH1-O 2.86Å; R14-S447 PolarHBondContact NH1-OG 3.36Å | ||
| 15 | E | 91.2 | Very high | 86 | Confident | 19 Ų | 19 | 51.9 Ų | 51.9 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 137.8 | 175.2 | -67.2 | 166.8 | -174.6 | 0 | 0 | 109.5 | Y44 R444 | E15-Y44 WeakPolarHBondContact OE1-CE2 3.1Å; E15-Y44 PolarHBondContact OE1-OH 2.99Å; E15-R444 IonicContact OE2-NH2 2.67Å |
| 16 | V | 92 | Very high | 86.9 | Confident | 66 Ų | 66 | 57.2 Ų | 57.2 | 40% | 0.4 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | -46.6 | -176.8 | 178.2 | 0 | 0 | 0 | 0 | 109.8 | I36 T38 F110 S354 | V16-I36 PolarHBondContact N-O 2.98Å; V16-T38 HydrophobicContact CG2-CG2 4.08Å; V16-F110 HydrophobicContact CG2-CZ 4.34Å; V16-S354 PolarHBondContact O-N 2.89Å |
| 17 | S | 95.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.007 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 155.5 | 177.1 | 60.7 | 0 | 0 | 0 | 0 | 112 | T35 I36 D106 | S17-T35 CarbonylContact O-C 3.6Å; S17-T35 VanDerWaalsContact O-CA 3.25Å; S17-T35 WeakPolarHBondContact O-CA 3.47Å; S17-I36 PolarHBondContact N-O 3.25Å; S17-I36 PolarHBondContact O-N 3.4Å; S17-D106 WeakPolarHBondContact CB-OD2 3.38Å; S17-D106 PolarHBondContact OG-OD2 3.43Å |
| 18 | C | 96.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 141.3 | -177.8 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | T35 R353 S354 R356 | C18-T35 HydrophobicContact CB-CG2 3.94Å; C18-R353 PolarHBondContact N-O 3.46Å; C18-R353 PolarHBondContact O-NH1 3.4Å; C18-R353 PolarHBondContact O-NH2 3.2Å; C18-S354 WeakPolarHBondContact CB-O 3.47Å; C18-R356 CarbonylContact C-O 3.59Å; C18-R356 WeakPolarHBondContact CB-O 3.18Å |
| 19 | Y | 96.4 | Very high | 88.7 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 127.8 | -179 | -66.7 | -89.2 | 0 | 0 | 0 | 111.1 | L33 F34 I36 E102 L103 D106 R353 F357 P359 | Y19-L33 CarbonylContact O-C 3.57Å; Y19-L33 WeakPolarHBondContact O-CA 3.44Å; Y19-F34 PolarHBondContact N-O 2.85Å; Y19-F34 PolarHBondContact O-N 3.45Å; Y19-I36 HydrophobicContact CD2-CD1 4.37Å; Y19-I36 HydrophobicContact CE2-CD1 4.11Å; Y19-E102 HydrophobicContact CE1-CB 4.01Å; Y19-L103 HydrophobicContact CD1-CB 4.14Å; Y19-L103 HydrophobicContact CD2-CB 4.1Å; Y19-L103 HydrophobicContact CD2-CD1 4.13Å; Y19-L103 HydrophobicContact CD2-CG 3.94Å; Y19-L103 HydrophobicContact CE1-CB 4.22Å; Y19-L103 HydrophobicContact CE2-CB 4.21Å; Y19-L103 HydrophobicContact CE2-CG 4.37Å; Y19-L103 HydrophobicContact CG-CB 4.09Å; Y19-L103 HydrophobicContact CG-CD1 3.94Å; Y19-L103 HydrophobicContact CG-CG 4.14Å; Y19-D106 HydrophobicContact CE2-CB 4.45Å; Y19-D106 WeakPolarHBondContact CE2-OD2 3.45Å; Y19-D106 PolarHBondContact OH-OD2 2.87Å; Y19-R353 PolarHBondContact OH-NH2 2.96Å; Y19-F357 CarbonylContact C-O 3.57Å; Y19-F357 WeakPolarHBondContact CA-O 3.35Å; Y19-P359 HydrophobicContact CE1-CG 4.13Å |
| 20 | L | 95.6 | Very high | 89.2 | Confident | 21 Ų | 21 | 55.7 Ų | 55.7 | 11% | 0.11 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 122.7 | 166.9 | -179.5 | 65 | 0 | 0 | 0 | 109.3 | K31 L33 K46 F357 V368 | L20-K31 HydrophobicContact CD1-CB 4.44Å; L20-L33 HydrophobicContact CB-CD2 4.21Å; L20-L33 HydrophobicContact CD1-CD2 3.86Å; L20-K46 HydrophobicContact CD1-CB 4.17Å; L20-K46 HydrophobicContact CD1-CD 4.11Å; L20-F357 HydrophobicContact CB-CB 4.26Å; L20-F357 PolarHBondContact N-O 3.1Å; L20-V368 HydrophobicContact CD2-CG2 3.78Å |
| 21 | L | 95.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 176.6 | -179 | 61.5 | 66.9 | 0 | 0 | 0 | 112.5 | K31 R32 F34 F79 F95 L103 | L21-K31 CarbonylContact O-C 3.51Å; L21-K31 VanDerWaalsContact O-CA 3.28Å; L21-K31 WeakPolarHBondContact O-CA 3.39Å; L21-R32 HydrophobicContact CD1-CB 4.33Å; L21-R32 PolarHBondContact N-O 3.14Å; L21-R32 PolarHBondContact O-N 3.41Å; L21-R32 VanDerWaalsContact O-O 3.11Å; L21-F34 HydrophobicContact CD1-CB 4.27Å; L21-F34 HydrophobicContact CD2-CB 3.35Å; L21-F34 HydrophobicContact CD2-CD1 4.5Å; L21-F34 HydrophobicContact CD2-CD2 3.85Å; L21-F34 HydrophobicContact CD2-CG 3.69Å; L21-F34 HydrophobicContact CG-CB 3.68Å; L21-F34 HydrophobicContact CG-CG 4.49Å; L21-F79 HydrophobicContact CD2-CE1 4.27Å; L21-F79 HydrophobicContact CD2-CZ 4.15Å; L21-F95 HydrophobicContact CD1-CB 4.35Å; L21-F95 HydrophobicContact CD1-CD1 3.52Å; L21-F95 HydrophobicContact CD1-CE1 4.25Å; L21-F95 HydrophobicContact CD1-CG 4.32Å; L21-F95 HydrophobicContact CD2-CB 4.27Å; L21-F95 HydrophobicContact CD2-CD1 4.43Å; L21-L103 HydrophobicContact CD2-CD1 3.6Å |
| 22 | T | 93.9 | Very high | 90.4 | Very high | 14 Ų | 14 | 57.2 Ų | 57.2 | 9% | 0.086 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 119.5 | 177 | -43.4 | 0 | 0 | 0 | 0 | 109.9 | M24 N29 Y30 K31 F95 A96 | T22-M24 HydrophobicContact CG2-SD 4.16Å; T22-N29 HydrophobicContact CG2-CB 3.89Å; T22-Y30 CarbonylContact C-O 3.59Å; T22-Y30 WeakPolarHBondContact CA-O 3.43Å; T22-K31 WeakPolarHBondContact OG1-CD 3.43Å; T22-K31 PolarHBondContact OG1-NZ 3.21Å; T22-F95 CarbonylContact O-C 3.49Å; T22-F95 WeakPolarHBondContact O-CA 3.48Å; T22-A96 PolarHBondContact N-O 3.22Å; T22-A96 PolarHBondContact O-N 3.26Å |
| 23 | K | 93.7 | Very high | 91 | Very high | 30 Ų | 30 | 49.9 Ų | 49.9 | 13% | 0.13 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 122 | 167.7 | -176 | 178.8 | -176.3 | -179.8 | 0 | 108.6 | N29 Y30 R32 N53 F95 | K23-N29 WeakPolarHBondContact O-CA 3.21Å; K23-Y30 PolarHBondContact N-O 3.01Å; K23-Y30 PolarHBondContact O-N 3.4Å; K23-R32 HydrophobicContact CB-CG 4.24Å; K23-N53 PolarHBondContact NZ-ND2 3.32Å; K23-F95 HydrophobicContact CB-CD1 3.87Å; K23-F95 HydrophobicContact CB-CE1 3.8Å; K23-F95 HydrophobicContact CD-CE1 4.02Å; K23-F95 HydrophobicContact CG-CD1 4.04Å; K23-F95 HydrophobicContact CG-CE1 3.65Å; K23-F95 HydrophobicContact CG-CZ 4.38Å |
| 24 | M | 89.7 | Confident | 91.4 | Very high | 30 Ų | 30 | 48.6 Ų | 48.6 | 15% | 0.148 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 123 | 176.1 | -51.5 | -65.8 | -71.3 | 0 | 0 | 108 | T22 N29 T94 A96 | T22-M24 HydrophobicContact CG2-SD 4.16Å; M24-N29 VanDerWaalsContact CE-OD1 3.26Å; M24-N29 WeakPolarHBondContact CE-OD1 3.41Å; M24-N29 HydrophobicContact SD-CB 4.26Å; M24-N29 VanDerWaalsContact SD-CG 3.59Å; M24-N29 PolarHBondContact SD-OD1 2.78Å; M24-N29 VanDerWaalsContact SD-OD1 3.35Å; M24-T94 HydrophobicContact CB-CG2 4.21Å; M24-T94 WeakPolarHBondContact CB-O 3.36Å; M24-T94 HydrophobicContact CG-CG2 4.19Å; M24-T94 PolarHBondContact N-O 2.89Å; M24-A96 HydrophobicContact CG-CB 4.28Å; M24-A96 HydrophobicContact SD-CB 4.2Å |
| 25 | S | 85.4 | Confident | 91.7 | Very high | 45 Ų | 45 | 44.9 Ų | 44.9 | 32% | 0.315 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 154.7 | 178.9 | -172.6 | 0 | 0 | 0 | 0 | 110 | K27 G28 | S25-K27 PolarHBondContact O-N 3.09Å; S25-G28 WeakPolarHBondContact CB-O 3.36Å; S25-G28 PolarHBondContact N-O 2.73Å; S25-G28 CarbonylContact O-C 3.56Å; S25-G28 PolarHBondContact O-N 2.75Å |
| 26 | W | 78.8 | Confident | 92 | Very high | 229 Ų | 229 | 44 Ų | 44 | 87% | 0.867 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -27 | 172.7 | 70.2 | -94.7 | 0 | 0 | 0 | 112.6 | G28 | W26-G28 VanDerWaalsContact C-N 3.29Å; W26-G28 PolarHBondContact O-N 3.26Å |
| 27 | K | 82 | Confident | 92.1 | Very high | 142 Ų | 142 | 40.8 Ų | 40.8 | 62% | 0.617 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -11.8 | 175.1 | -64.2 | -169.1 | 177.5 | -175.3 | 0 | 113.9 | S25 Y30 | S25-K27 PolarHBondContact O-N 3.09Å; K27-Y30 HydrophobicContact CB-CE2 4.45Å; K27-Y30 PolarHBondContact O-OH 3.33Å |
| 28 | G | 85.1 | Confident | 92.1 | Very high | 27 Ų | 27 | 42.9 Ų | 42.9 | 28% | 0.278 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 137.4 | 168 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S25 W26 Y30 | S25-G28 WeakPolarHBondContact CB-O 3.36Å; S25-G28 PolarHBondContact N-O 2.73Å; S25-G28 CarbonylContact O-C 3.56Å; S25-G28 PolarHBondContact O-N 2.75Å; W26-G28 VanDerWaalsContact C-N 3.29Å; W26-G28 PolarHBondContact O-N 3.26Å; G28-Y30 VanDerWaalsContact O-CD2 3.26Å; G28-Y30 WeakPolarHBondContact O-CD2 3.27Å; G28-Y30 WeakPolarHBondContact O-CE2 3.26Å |
| 29 | N | 88.5 | Confident | 91.9 | Very high | 92 Ų | 92 | 45.9 Ų | 45.9 | 49% | 0.492 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 128.5 | 176.2 | -60.7 | -27.8 | 0 | 0 | 0 | 109.3 | T22 K23 M24 | T22-N29 HydrophobicContact CG2-CB 3.89Å; K23-N29 WeakPolarHBondContact O-CA 3.21Å; M24-N29 VanDerWaalsContact CE-OD1 3.26Å; M24-N29 WeakPolarHBondContact CE-OD1 3.41Å; M24-N29 HydrophobicContact SD-CB 4.26Å; M24-N29 VanDerWaalsContact SD-CG 3.59Å; M24-N29 PolarHBondContact SD-OD1 2.78Å; M24-N29 VanDerWaalsContact SD-OD1 3.35Å |
| 30 | Y | 89.7 | Confident | 91.8 | Very high | 90 Ų | 90 | 45.7 Ų | 45.7 | 35% | 0.353 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 133.9 | -175.7 | -51.6 | -84.2 | 0 | 0 | 0 | 111.5 | T22 K23 K27 G28 | T22-Y30 CarbonylContact C-O 3.59Å; T22-Y30 WeakPolarHBondContact CA-O 3.43Å; K23-Y30 PolarHBondContact N-O 3.01Å; K23-Y30 PolarHBondContact O-N 3.4Å; K27-Y30 HydrophobicContact CB-CE2 4.45Å; K27-Y30 PolarHBondContact O-OH 3.33Å; G28-Y30 VanDerWaalsContact O-CD2 3.26Å; G28-Y30 WeakPolarHBondContact O-CD2 3.27Å; G28-Y30 WeakPolarHBondContact O-CE2 3.26Å |
| 31 | K | 93.7 | Very high | 91.8 | Very high | 77 Ų | 77 | 44.7 Ų | 44.7 | 34% | 0.335 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 134.5 | 170.1 | -66.1 | -70.6 | -169.9 | 177.5 | 0 | 110.7 | L20 L21 T22 K46 | L20-K31 HydrophobicContact CD1-CB 4.44Å; L21-K31 CarbonylContact O-C 3.51Å; L21-K31 VanDerWaalsContact O-CA 3.28Å; L21-K31 WeakPolarHBondContact O-CA 3.39Å; T22-K31 WeakPolarHBondContact OG1-CD 3.43Å; T22-K31 PolarHBondContact OG1-NZ 3.21Å; K31-K46 HydrophobicContact CB-CD 3.68Å |
| 32 | R | 94.8 | Very high | 91.7 | Very high | 49 Ų | 49 | 44.6 Ų | 44.6 | 19% | 0.185 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 150.5 | -178.9 | -66.5 | -65.7 | 179.5 | -96.4 | 1 | 109.4 | L21 K23 Y44 | L21-R32 HydrophobicContact CD1-CB 4.33Å; L21-R32 PolarHBondContact N-O 3.14Å; L21-R32 PolarHBondContact O-N 3.41Å; L21-R32 VanDerWaalsContact O-O 3.11Å; K23-R32 HydrophobicContact CB-CG 4.24Å; R32-Y44 WeakPolarHBondContact CA-O 3.48Å; R32-Y44 VanDerWaalsContact CD-O 3.29Å; R32-Y44 WeakPolarHBondContact CD-O 3.44Å |
| 33 | L | 96 | Very high | 91.8 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 128.6 | 163.6 | -53.1 | 171.5 | 0 | 0 | 0 | 107.6 | Y19 L20 T43 Y44 K46 L49 F357 | Y19-L33 CarbonylContact O-C 3.57Å; Y19-L33 WeakPolarHBondContact O-CA 3.44Å; L20-L33 HydrophobicContact CB-CD2 4.21Å; L20-L33 HydrophobicContact CD1-CD2 3.86Å; L33-T43 CarbonylContact O-C 3.52Å; L33-T43 WeakPolarHBondContact O-CA 3.34Å; L33-Y44 PolarHBondContact N-O 2.9Å; L33-Y44 PolarHBondContact O-N 3.06Å; L33-K46 HydrophobicContact CD2-CB 4.21Å; L33-K46 HydrophobicContact CG-CB 4.03Å; L33-L49 HydrophobicContact CD1-CD2 3.55Å; L33-F357 HydrophobicContact CD1-CD1 4.34Å; L33-F357 HydrophobicContact CD1-CE1 3.55Å; L33-F357 HydrophobicContact CD1-CE2 3.87Å; L33-F357 HydrophobicContact CD1-CZ 3.28Å; L33-F357 HydrophobicContact CD2-CB 4.43Å; L33-F357 HydrophobicContact CD2-CD1 3.8Å; L33-F357 HydrophobicContact CD2-CD2 3.47Å; L33-F357 VanDerWaalsContact CD2-CD2 3.47Å; L33-F357 HydrophobicContact CD2-CE1 3.82Å; L33-F357 HydrophobicContact CD2-CE2 3.5Å; L33-F357 VanDerWaalsContact CD2-CE2 3.5Å; L33-F357 HydrophobicContact CD2-CG 3.63Å; L33-F357 HydrophobicContact CD2-CZ 3.68Å; L33-F357 HydrophobicContact CG-CE1 4.3Å; L33-F357 HydrophobicContact CG-CE2 4.28Å; L33-F357 HydrophobicContact CG-CZ 4.1Å |
| 34 | F | 97.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 112.5 | 176.1 | -173.8 | -78.5 | 0 | 0 | 0 | 107.8 | Y19 L21 I36 V41 T43 F79 F95 L103 L107 | Y19-F34 PolarHBondContact N-O 2.85Å; Y19-F34 PolarHBondContact O-N 3.45Å; L21-F34 HydrophobicContact CD1-CB 4.27Å; L21-F34 HydrophobicContact CD2-CB 3.35Å; L21-F34 HydrophobicContact CD2-CD1 4.5Å; L21-F34 HydrophobicContact CD2-CD2 3.85Å; L21-F34 HydrophobicContact CD2-CG 3.69Å; L21-F34 HydrophobicContact CG-CB 3.68Å; L21-F34 HydrophobicContact CG-CG 4.49Å; F34-I36 HydrophobicContact CD1-CG1 4.15Å; F34-I36 HydrophobicContact CE1-CD1 4.46Å; F34-I36 HydrophobicContact CE1-CG1 3.85Å; F34-V41 HydrophobicContact CD1-CG1 4.18Å; F34-V41 HydrophobicContact CD2-CG1 4.03Å; F34-V41 HydrophobicContact CE1-CG1 3.61Å; F34-V41 HydrophobicContact CE1-CG2 4.2Å; F34-V41 HydrophobicContact CE2-CG1 3.45Å; F34-V41 VanDerWaalsContact CE2-CG1 3.45Å; F34-V41 HydrophobicContact CG-CG1 4.37Å; F34-V41 HydrophobicContact CZ-CB 4.26Å; F34-V41 HydrophobicContact CZ-CG1 3.22Å; F34-V41 HydrophobicContact CZ-CG2 4.02Å; F34-T43 HydrophobicContact CD2-CG2 3.83Å; F34-F79 HydrophobicContact CE2-CZ 4.38Å; F34-F79 HydrophobicContact CZ-CE2 4.47Å; F34-F79 HydrophobicContact CZ-CZ 4.45Å; F34-F95 HydrophobicContact CD2-CE1 4.38Å; F34-F95 HydrophobicContact CD2-CZ 4.48Å; F34-F95 HydrophobicContact CE2-CD2 4.49Å; F34-F95 HydrophobicContact CE2-CE2 4.26Å; F34-F95 HydrophobicContact CE2-CZ 4.33Å; F34-L103 HydrophobicContact CD1-CD1 3.99Å; F34-L103 HydrophobicContact CD1-CD2 4.44Å; F34-L103 HydrophobicContact CD1-CG 4.36Å; F34-L103 HydrophobicContact CE1-CD1 4.43Å; F34-L103 HydrophobicContact CE1-CD2 4.09Å; F34-L103 HydrophobicContact CE1-CG 4.46Å; F34-L103 HydrophobicContact CG-CD1 4.38Å; F34-L107 HydrophobicContact CE1-CD2 3.99Å; F34-L107 HydrophobicContact CZ-CD2 3.87Å |
| 35 | T | 96.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 131.2 | -178.2 | 60.8 | 0 | 0 | 0 | 0 | 110.1 | S17 C18 V41 T42 Y44 | S17-T35 CarbonylContact O-C 3.6Å; S17-T35 VanDerWaalsContact O-CA 3.25Å; S17-T35 WeakPolarHBondContact O-CA 3.47Å; C18-T35 HydrophobicContact CB-CG2 3.94Å; T35-V41 WeakPolarHBondContact O-CA 3.35Å; T35-T42 PolarHBondContact N-O 2.78Å; T35-T42 PolarHBondContact O-N 2.92Å; T35-T42 WeakPolarHBondContact OG1-CB 3.49Å; T35-T42 PolarHBondContact OG1-O 2.78Å; T35-T42 VanDerWaalsContact OG1-O 3.04Å; T35-Y44 HydrophobicContact CG2-CD2 3.74Å; T35-Y44 HydrophobicContact CG2-CE2 3.64Å; T35-Y44 WeakPolarHBondContact OG1-CE2 3.44Å |
| 36 | I | 97 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 125.8 | 175.2 | -59.6 | 162.5 | 0 | 0 | 0 | 106.5 | V16 S17 Y19 F34 Y57 L103 D106 L107 F110 | V16-I36 PolarHBondContact N-O 2.98Å; S17-I36 PolarHBondContact N-O 3.25Å; S17-I36 PolarHBondContact O-N 3.4Å; Y19-I36 HydrophobicContact CD2-CD1 4.37Å; Y19-I36 HydrophobicContact CE2-CD1 4.11Å; F34-I36 HydrophobicContact CD1-CG1 4.15Å; F34-I36 HydrophobicContact CE1-CD1 4.46Å; F34-I36 HydrophobicContact CE1-CG1 3.85Å; I36-Y57 WeakPolarHBondContact CG2-OH 3.29Å; I36-L103 HydrophobicContact CD1-CG 4.44Å; I36-D106 HydrophobicContact CD1-CB 3.52Å; I36-L107 HydrophobicContact CD1-CB 3.73Å; I36-L107 HydrophobicContact CG1-CB 4.22Å; I36-L107 HydrophobicContact CG1-CD1 4.25Å; I36-L107 HydrophobicContact CG2-CD1 4.23Å; I36-F110 HydrophobicContact CG2-CD2 3.91Å; I36-F110 HydrophobicContact CG2-CE2 3.85Å |
| 37 | G | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | -180 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | N13 R14 L39 G40 Y57 | N13-G37 WeakPolarHBondContact OD1-CA 3.23Å; R14-G37 CarbonylContact O-C 3.51Å; R14-G37 WeakPolarHBondContact O-CA 3.4Å; G37-L39 VanDerWaalsContact C-N 3.32Å; G37-L39 PolarHBondContact O-N 3.18Å; G37-G40 WeakPolarHBondContact CA-O 3.46Å; G37-G40 PolarHBondContact N-O 3.43Å; G37-Y57 VanDerWaalsContact O-CE2 3.23Å; G37-Y57 WeakPolarHBondContact O-CE2 3.49Å; G37-Y57 VanDerWaalsContact O-CZ 3.26Å; G37-Y57 PolarHBondContact O-OH 3.44Å |
| 38 | T | 93.5 | Very high | 93.3 | Very high | 45 Ų | 45 | 31.2 Ų | 31.2 | 28% | 0.276 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -71.7 | -22.5 | -178.8 | 54.3 | 0 | 0 | 0 | 0 | 114.3 | N13 R14 V16 R113 | N13-T38 PolarHBondContact OD1-N 2.93Å; R14-T38 HydrophobicContact CB-CG2 4.03Å; R14-T38 PolarHBondContact N-OG1 3.25Å; R14-T38 VanDerWaalsContact N-OG1 3.07Å; R14-T38 PolarHBondContact O-N 3.31Å; V16-T38 HydrophobicContact CG2-CG2 4.08Å; T38-R113 PolarHBondContact O-NH1 3.43Å |
| 39 | L | 92.7 | Very high | 93.5 | Very high | 62 Ų | 62 | 30.9 Ų | 30.9 | 33% | 0.325 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -113.3 | -19.2 | -178.6 | -61.5 | -179.5 | 0 | 0 | 0 | 113.5 | M10 K12 N13 G37 Y57 | M10-L39 HydrophobicContact SD-CB 4.11Å; K12-L39 HydrophobicContact CB-CD1 4.04Å; N13-L39 HydrophobicContact CB-CB 4.14Å; N13-L39 HydrophobicContact CB-CD1 4.23Å; N13-L39 HydrophobicContact CB-CG 4.38Å; N13-L39 PolarHBondContact OD1-N 3Å; G37-L39 VanDerWaalsContact C-N 3.32Å; G37-L39 PolarHBondContact O-N 3.18Å; L39-Y57 VanDerWaalsContact C-CE2 3.49Å; L39-Y57 VanDerWaalsContact O-CD2 3.27Å; L39-Y57 WeakPolarHBondContact O-CD2 3.28Å; L39-Y57 PolarHBondContact O-N 3.41Å |
| 40 | G | 93.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.7 | -169.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G37 W55 Y57 | G37-G40 WeakPolarHBondContact CA-O 3.46Å; G37-G40 PolarHBondContact N-O 3.43Å; G40-W55 CarbonylContact C-O 3.52Å; G40-W55 VanDerWaalsContact CA-O 3.22Å; G40-W55 WeakPolarHBondContact CA-O 3.39Å; G40-Y57 VanDerWaalsContact N-CE2 3.31Å |
| 41 | V | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 138.6 | -178.2 | 173 | 0 | 0 | 0 | 0 | 110 | F34 T35 Q54 W55 Y57 I60 L107 | F34-V41 HydrophobicContact CD1-CG1 4.18Å; F34-V41 HydrophobicContact CD2-CG1 4.03Å; F34-V41 HydrophobicContact CE1-CG1 3.61Å; F34-V41 HydrophobicContact CE1-CG2 4.2Å; F34-V41 HydrophobicContact CE2-CG1 3.45Å; F34-V41 VanDerWaalsContact CE2-CG1 3.45Å; F34-V41 HydrophobicContact CG-CG1 4.37Å; F34-V41 HydrophobicContact CZ-CB 4.26Å; F34-V41 HydrophobicContact CZ-CG1 3.22Å; F34-V41 HydrophobicContact CZ-CG2 4.02Å; T35-V41 WeakPolarHBondContact O-CA 3.35Å; V41-Q54 WeakPolarHBondContact O-CA 3.38Å; V41-W55 HydrophobicContact CG1-CE3 4.32Å; V41-W55 PolarHBondContact N-O 2.73Å; V41-W55 PolarHBondContact O-N 3.03Å; V41-Y57 HydrophobicContact CG2-CE1 4.18Å; V41-I60 HydrophobicContact CG2-CD1 4.06Å; V41-L107 HydrophobicContact CG2-CD1 3.49Å; V41-L107 VanDerWaalsContact CG2-CD1 3.49Å |
| 42 | T | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 143.4 | 172.1 | -57.7 | 0 | 0 | 0 | 0 | 110.2 | T35 Y44 V51 Q54 | T35-T42 PolarHBondContact N-O 2.78Å; T35-T42 PolarHBondContact O-N 2.92Å; T35-T42 WeakPolarHBondContact OG1-CB 3.49Å; T35-T42 PolarHBondContact OG1-O 2.78Å; T35-T42 VanDerWaalsContact OG1-O 3.04Å; T42-Y44 HydrophobicContact CG2-CD1 4.44Å; T42-Y44 HydrophobicContact CG2-CD2 3.94Å; T42-Y44 HydrophobicContact CG2-CE1 3.94Å; T42-Y44 HydrophobicContact CG2-CE2 3.38Å; T42-Y44 HydrophobicContact CG2-CG 4.44Å; T42-V51 HydrophobicContact CG2-CG1 4.02Å; T42-V51 HydrophobicContact CG2-CG2 4.18Å; T42-Q54 HydrophobicContact CG2-CG 3.61Å; T42-Q54 WeakPolarHBondContact OG1-CG 3.49Å; T42-Q54 PolarHBondContact OG1-NE2 3.24Å |
| 43 | T | 94.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.3 | 171.1 | 52.2 | 0 | 0 | 0 | 0 | 110.4 | L33 F34 T52 N53 W55 F95 | L33-T43 CarbonylContact O-C 3.52Å; L33-T43 WeakPolarHBondContact O-CA 3.34Å; F34-T43 HydrophobicContact CD2-CG2 3.83Å; T43-T52 PolarHBondContact O-N 3.27Å; T43-T52 PolarHBondContact O-OG1 3.25Å; T43-T52 PolarHBondContact OG1-OG1 3.36Å; T43-T52 VanDerWaalsContact OG1-OG1 3.05Å; T43-N53 PolarHBondContact N-O 3.01Å; T43-N53 PolarHBondContact O-N 3.37Å; T43-N53 WeakPolarHBondContact OG1-CB 3.36Å; T43-N53 PolarHBondContact OG1-N 3.22Å; T43-N53 PolarHBondContact OG1-ND2 3.47Å; T43-N53 PolarHBondContact OG1-O 3.22Å; T43-W55 HydrophobicContact CG2-CH2 4.45Å; T43-W55 HydrophobicContact CG2-CZ3 3.94Å; T43-F95 HydrophobicContact CG2-CE1 4.3Å; T43-F95 HydrophobicContact CG2-CZ 4.46Å |
| 44 | Y | 93.6 | Very high | 93.1 | Very high | 14 Ų | 14 | 27.8 Ų | 27.8 | 6% | 0.055 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 152.6 | 180 | -60.6 | -90.8 | 0 | 0 | 0 | 112 | E15 R32 L33 T35 T42 K46 L49 R50 V51 | E15-Y44 WeakPolarHBondContact OE1-CE2 3.1Å; E15-Y44 PolarHBondContact OE1-OH 2.99Å; R32-Y44 WeakPolarHBondContact CA-O 3.48Å; R32-Y44 VanDerWaalsContact CD-O 3.29Å; R32-Y44 WeakPolarHBondContact CD-O 3.44Å; L33-Y44 PolarHBondContact N-O 2.9Å; L33-Y44 PolarHBondContact O-N 3.06Å; T35-Y44 HydrophobicContact CG2-CD2 3.74Å; T35-Y44 HydrophobicContact CG2-CE2 3.64Å; T35-Y44 WeakPolarHBondContact OG1-CE2 3.44Å; T42-Y44 HydrophobicContact CG2-CD1 4.44Å; T42-Y44 HydrophobicContact CG2-CD2 3.94Å; T42-Y44 HydrophobicContact CG2-CE1 3.94Å; T42-Y44 HydrophobicContact CG2-CE2 3.38Å; T42-Y44 HydrophobicContact CG2-CG 4.44Å; Y44-K46 PolarHBondContact O-N 3.48Å; Y44-L49 WeakPolarHBondContact CD1-O 3.33Å; Y44-R50 CarbonylContact C-O 3.48Å; Y44-R50 WeakPolarHBondContact CA-O 3.28Å; Y44-V51 HydrophobicContact CD1-CB 4.41Å; Y44-V51 HydrophobicContact CD1-CG2 3.89Å; Y44-V51 HydrophobicContact CE1-CB 4.25Å; Y44-V51 HydrophobicContact CE1-CG2 3.3Å |
| 45 | N | 93.1 | Very high | 92.9 | Very high | 43 Ų | 43 | 28.8 Ų | 28.8 | 23% | 0.23 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 125.8 | 161.8 | -177.3 | -43 | 0 | 0 | 0 | 108.2 | D47 T48 L49 R50 T52 | N45-D47 VanDerWaalsContact C-N 3.27Å; N45-D47 PolarHBondContact O-N 3.21Å; N45-D47 PolarHBondContact OD1-N 3.09Å; N45-T48 WeakPolarHBondContact CB-OG1 3.33Å; N45-T48 PolarHBondContact OD1-N 3.24Å; N45-L49 VanDerWaalsContact O-CA 3.28Å; N45-L49 WeakPolarHBondContact O-CA 3.29Å; N45-L49 PolarHBondContact O-N 3.09Å; N45-R50 PolarHBondContact N-O 2.78Å; N45-T52 HydrophobicContact CB-CG2 4.05Å |
| 46 | K | 92.5 | Very high | 92.7 | Very high | 26 Ų | 26 | 29.6 Ų | 29.6 | 11% | 0.113 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -28.7 | -175.7 | 77.1 | -174 | 178.6 | 80.4 | 0 | 113.5 | L20 K31 L33 Y44 E367 V371 F375 | L20-K46 HydrophobicContact CD1-CB 4.17Å; L20-K46 HydrophobicContact CD1-CD 4.11Å; K31-K46 HydrophobicContact CB-CD 3.68Å; L33-K46 HydrophobicContact CD2-CB 4.21Å; L33-K46 HydrophobicContact CG-CB 4.03Å; Y44-K46 PolarHBondContact O-N 3.48Å; K46-E367 WeakPolarHBondContact CD-OE1 3.42Å; K46-E367 WeakPolarHBondContact CE-OE1 3.48Å; K46-E367 IonicContact NZ-OE1 3.9Å; K46-E367 PolarHBondContact NZ-OE1 3.24Å; K46-V371 WeakPolarHBondContact O-CG1 3.24Å; K46-F375 VanDerWaalsContact O-CZ 3.27Å; K46-F375 WeakPolarHBondContact O-CZ 3.37Å |
| 47 | D | 91.4 | Very high | 92.6 | Very high | 70 Ų | 70 | 29.8 Ų | 29.8 | 37% | 0.374 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -18.1 | -172.9 | -55.2 | -61.1 | 0 | 0 | 0 | 112.3 | N45 F375 | N45-D47 VanDerWaalsContact C-N 3.27Å; N45-D47 PolarHBondContact O-N 3.21Å; N45-D47 PolarHBondContact OD1-N 3.09Å; D47-F375 WeakPolarHBondContact O-CE1 3.28Å |
| 48 | T | 90.4 | Very high | 92.4 | Very high | 55 Ų | 55 | 37.2 Ų | 37.2 | 34% | 0.337 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -8.1 | -179.7 | 64.9 | 0 | 0 | 0 | 0 | 114.1 | N45 R50 | N45-T48 WeakPolarHBondContact CB-OG1 3.33Å; N45-T48 PolarHBondContact OD1-N 3.24Å; T48-R50 PolarHBondContact O-N 2.63Å |
| 49 | L | 90.5 | Very high | 92.3 | Very high | 21 Ų | 21 | 37.4 Ų | 37.4 | 11% | 0.11 | 18% | 0.184 | C | C | . | . | trans | 54.4 | 17 | -173.4 | -57.2 | 179.5 | 0 | 0 | 0 | 114.3 | L33 Y44 N45 F357 F375 P380 V383 | L33-L49 HydrophobicContact CD1-CD2 3.55Å; Y44-L49 WeakPolarHBondContact CD1-O 3.33Å; N45-L49 VanDerWaalsContact O-CA 3.28Å; N45-L49 WeakPolarHBondContact O-CA 3.29Å; N45-L49 PolarHBondContact O-N 3.09Å; L49-F357 HydrophobicContact CD2-CZ 4.21Å; L49-F375 HydrophobicContact CD1-CD2 4.41Å; L49-F375 HydrophobicContact CD1-CE2 3.82Å; L49-F375 HydrophobicContact CD1-CZ 3.91Å; L49-F375 HydrophobicContact CD2-CE2 4Å; L49-F375 HydrophobicContact CD2-CZ 3.79Å; L49-F375 HydrophobicContact CG-CE1 4.35Å; L49-F375 HydrophobicContact CG-CE2 3.98Å; L49-F375 HydrophobicContact CG-CZ 3.61Å; L49-P380 HydrophobicContact CD1-CB 4.36Å; L49-P380 HydrophobicContact CD1-CG 4.08Å; L49-P380 HydrophobicContact CG-CG 4.46Å; L49-V383 HydrophobicContact CB-CG2 4.41Å; L49-V383 HydrophobicContact CD1-CG2 4.07Å | ||
| 50 | R | 90.3 | Very high | 92.4 | Very high | 125 Ų | 125 | 34.4 Ų | 34.4 | 47% | 0.472 | 17% | 0.168 | S | C | . | . | trans | -78.9 | 139 | 174.9 | -69.3 | -172.4 | 173.8 | -152.1 | 8.6 | 110.9 | Y44 N45 T48 T52 E381 | Y44-R50 CarbonylContact C-O 3.48Å; Y44-R50 WeakPolarHBondContact CA-O 3.28Å; N45-R50 PolarHBondContact N-O 2.78Å; T48-R50 PolarHBondContact O-N 2.63Å; R50-T52 PolarHBondContact O-N 2.62Å; R50-E381 IonicContact CZ-OE2 2.84Å; R50-E381 IonicContact NH2-OE1 2.66Å; R50-E381 IonicContact NH2-OE2 3.26Å; R50-E381 PolarHBondContact NH2-OE2 2.78Å | ||
| 51 | V | 90 | Very high | 92.3 | Very high | 16 Ų | 16 | 36.6 Ų | 36.6 | 10% | 0.097 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 131.2 | 174.4 | 176.3 | 0 | 0 | 0 | 0 | 109.2 | M5 R6 T42 Y44 Q54 | M5-V51 HydrophobicContact CB-CB 4.32Å; M5-V51 HydrophobicContact CB-CG1 4.48Å; R6-V51 HydrophobicContact CG-CG2 3.81Å; T42-V51 HydrophobicContact CG2-CG1 4.02Å; T42-V51 HydrophobicContact CG2-CG2 4.18Å; Y44-V51 HydrophobicContact CD1-CB 4.41Å; Y44-V51 HydrophobicContact CD1-CG2 3.89Å; Y44-V51 HydrophobicContact CE1-CB 4.25Å; Y44-V51 HydrophobicContact CE1-CG2 3.3Å; V51-Q54 HydrophobicContact CG1-CG 3.63Å |
| 52 | T | 90.5 | Very high | 92.2 | Very high | 38 Ų | 38 | 38.9 Ų | 38.9 | 23% | 0.233 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | -41.4 | 174.9 | 62.6 | 0 | 0 | 0 | 0 | 112.3 | T43 N45 R50 | T43-T52 PolarHBondContact O-N 3.27Å; T43-T52 PolarHBondContact O-OG1 3.25Å; T43-T52 PolarHBondContact OG1-OG1 3.36Å; T43-T52 VanDerWaalsContact OG1-OG1 3.05Å; N45-T52 HydrophobicContact CB-CG2 4.05Å; R50-T52 PolarHBondContact O-N 2.62Å |
| 53 | N | 90.5 | Very high | 92.1 | Very high | 55 Ų | 55 | 39.9 Ų | 39.9 | 29% | 0.294 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 154.5 | 173.1 | -47.5 | -89.4 | 0 | 0 | 0 | 110.1 | K23 T43 W55 | K23-N53 PolarHBondContact NZ-ND2 3.32Å; T43-N53 PolarHBondContact N-O 3.01Å; T43-N53 PolarHBondContact O-N 3.37Å; T43-N53 WeakPolarHBondContact OG1-CB 3.36Å; T43-N53 PolarHBondContact OG1-N 3.22Å; T43-N53 PolarHBondContact OG1-ND2 3.47Å; T43-N53 PolarHBondContact OG1-O 3.22Å; N53-W55 HydrophobicContact CB-CH2 3.3Å; N53-W55 HydrophobicContact CB-CZ2 3.34Å; N53-W55 HydrophobicContact CB-CZ3 3.94Å |
| 54 | Q | 91.5 | Very high | 91.9 | Very high | 10 Ų | 10 | 43.2 Ų | 43.2 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 140.6 | 176.8 | -72.7 | -169.4 | -31.5 | 0 | 0 | 111.1 | R6 R7 M10 V41 T42 V51 | R6-Q54 VanDerWaalsContact CA-OE1 3.25Å; R7-Q54 PolarHBondContact NH1-O 2.84Å; M10-Q54 HydrophobicContact CG-CB 4.42Å; V41-Q54 WeakPolarHBondContact O-CA 3.38Å; T42-Q54 HydrophobicContact CG2-CG 3.61Å; T42-Q54 WeakPolarHBondContact OG1-CG 3.49Å; T42-Q54 PolarHBondContact OG1-NE2 3.24Å; V51-Q54 HydrophobicContact CG1-CG 3.63Å |
| 55 | W | 92.8 | Very high | 91.8 | Very high | 22 Ų | 22 | 43.8 Ų | 43.8 | 8% | 0.083 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 130.1 | 175.9 | -54 | -76.2 | 0 | 0 | 0 | 110.2 | G40 V41 T43 N53 E59 I60 L81 I83 L93 F95 | G40-W55 CarbonylContact C-O 3.52Å; G40-W55 VanDerWaalsContact CA-O 3.22Å; G40-W55 WeakPolarHBondContact CA-O 3.39Å; V41-W55 HydrophobicContact CG1-CE3 4.32Å; V41-W55 PolarHBondContact N-O 2.73Å; V41-W55 PolarHBondContact O-N 3.03Å; T43-W55 HydrophobicContact CG2-CH2 4.45Å; T43-W55 HydrophobicContact CG2-CZ3 3.94Å; N53-W55 HydrophobicContact CB-CH2 3.3Å; N53-W55 HydrophobicContact CB-CZ2 3.34Å; N53-W55 HydrophobicContact CB-CZ3 3.94Å; W55-E59 VanDerWaalsContact CA-OE2 3.24Å; W55-E59 WeakPolarHBondContact CA-OE2 3.34Å; W55-I60 HydrophobicContact CB-CG1 4.41Å; W55-L81 HydrophobicContact CE3-CD2 4.22Å; W55-L81 HydrophobicContact CZ3-CD2 4.45Å; W55-I83 HydrophobicContact CD2-CD1 3.45Å; W55-I83 VanDerWaalsContact CD2-CD1 3.45Å; W55-I83 HydrophobicContact CE3-CD1 4.15Å; W55-I83 HydrophobicContact CG-CD1 3.61Å; W55-I83 HydrophobicContact CG-CG2 4.27Å; W55-I83 HydrophobicContact CH2-CD1 4.41Å; W55-I83 HydrophobicContact CZ2-CD1 3.8Å; W55-I83 VanDerWaalsContact NE1-CD1 3.31Å; W55-L93 HydrophobicContact CH2-CD1 3.47Å; W55-L93 VanDerWaalsContact CH2-CD1 3.47Å; W55-L93 HydrophobicContact CZ2-CD1 3.24Å; W55-L93 HydrophobicContact CZ3-CD1 4.43Å; W55-F95 HydrophobicContact CH2-CZ 4.38Å; W55-F95 HydrophobicContact CZ3-CZ 4.48Å |
| 56 | T | 93.4 | Very high | 91.5 | Very high | 19 Ų | 19 | 42.8 Ų | 42.8 | 12% | 0.117 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 159.2 | 169.4 | 64.1 | 0 | 0 | 0 | 0 | 109.4 | C9 M10 E58 E59 | C9-T56 HydrophobicContact CB-CG2 4.39Å; M10-T56 HydrophobicContact CG-CG2 4.24Å; M10-T56 HydrophobicContact SD-CG2 3.82Å; T56-E58 PolarHBondContact O-N 3.4Å; T56-E59 PolarHBondContact N-OE2 2.89Å; T56-E59 PolarHBondContact O-N 3.43Å; T56-E59 WeakPolarHBondContact OG1-CG 3.39Å; T56-E59 PolarHBondContact OG1-N 2.94Å |
| 57 | Y | 94 | Very high | 91 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -61 | -30.3 | 175.3 | -68.5 | -50.2 | 0 | 0 | 0 | 113 | I36 G37 L39 G40 V41 E59 I60 L107 F110 R113 F114 | I36-Y57 WeakPolarHBondContact CG2-OH 3.29Å; G37-Y57 VanDerWaalsContact O-CE2 3.23Å; G37-Y57 WeakPolarHBondContact O-CE2 3.49Å; G37-Y57 VanDerWaalsContact O-CZ 3.26Å; G37-Y57 PolarHBondContact O-OH 3.44Å; L39-Y57 VanDerWaalsContact C-CE2 3.49Å; L39-Y57 VanDerWaalsContact O-CD2 3.27Å; L39-Y57 WeakPolarHBondContact O-CD2 3.28Å; L39-Y57 PolarHBondContact O-N 3.41Å; G40-Y57 VanDerWaalsContact N-CE2 3.31Å; V41-Y57 HydrophobicContact CG2-CE1 4.18Å; Y57-E59 PolarHBondContact O-N 2.73Å; Y57-I60 HydrophobicContact CD1-CD1 4.01Å; Y57-I60 PolarHBondContact O-N 3.18Å; Y57-I60 VanDerWaalsContact O-N 3.16Å; Y57-L107 HydrophobicContact CE1-CD1 3.97Å; Y57-F110 HydrophobicContact CD1-CB 4.13Å; Y57-F110 HydrophobicContact CD2-CB 4.05Å; Y57-F110 HydrophobicContact CD2-CD1 4.24Å; Y57-F110 HydrophobicContact CD2-CG 4.34Å; Y57-F110 HydrophobicContact CE1-CB 3.67Å; Y57-F110 HydrophobicContact CE1-CG 4.18Å; Y57-F110 HydrophobicContact CE2-CB 3.58Å; Y57-F110 AromaticContact CE2-CD1 3.47Å; Y57-F110 HydrophobicContact CE2-CD1 3.47Å; Y57-F110 VanDerWaalsContact CE2-CD1 3.47Å; Y57-F110 HydrophobicContact CE2-CD2 4.21Å; Y57-F110 HydrophobicContact CE2-CE1 4.18Å; Y57-F110 AromaticContact CE2-CG 3.48Å; Y57-F110 HydrophobicContact CE2-CG 3.48Å; Y57-F110 VanDerWaalsContact CE2-CG 3.48Å; Y57-F110 HydrophobicContact CG-CB 4.3Å; Y57-F110 AromaticContact CZ-CD1 3.9Å; Y57-F110 AromaticContact CZ-CD2 3.76Å; Y57-F110 AromaticContact CZ-CG 3.39Å; Y57-F110 WeakPolarHBondContact OH-CD2 3.4Å; Y57-F110 VanDerWaalsContact OH-CG 3.32Å; Y57-F110 WeakPolarHBondContact OH-CG 3.17Å; Y57-R113 CarbonylContact C-O 3.45Å; Y57-R113 VanDerWaalsContact C-O 3.27Å; Y57-R113 HydrophobicContact CD2-CB 4.32Å; Y57-R113 HydrophobicContact CG-CB 4.17Å; Y57-F114 AromaticContact CD1-CD1 3.97Å; Y57-F114 HydrophobicContact CD1-CD1 3.97Å; Y57-F114 AromaticContact CD1-CE1 3.41Å; Y57-F114 HydrophobicContact CD1-CE1 3.41Å; Y57-F114 VanDerWaalsContact CD1-CE1 3.41Å; Y57-F114 HydrophobicContact CD1-CZ 4.48Å; Y57-F114 AromaticContact CE1-CE1 3.93Å; Y57-F114 HydrophobicContact CE1-CE1 3.93Å; Y57-F114 HydrophobicContact CG-CD1 4.44Å; Y57-F114 HydrophobicContact CG-CE1 4.21Å |
| 58 | E | 90.1 | Very high | 90.3 | Very high | 156 Ų | 156 | 49 Ų | 49 | 73% | 0.729 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -69.6 | -10.9 | 174.2 | -63.2 | 172.1 | -173.7 | 0 | 0 | 113.6 | T56 I115 | T56-E58 PolarHBondContact O-N 3.4Å; E58-I115 WeakPolarHBondContact O-CD1 3.33Å; E58-I115 WeakPolarHBondContact O-CG1 3.48Å |
| 59 | E | 91.7 | Very high | 89.2 | Confident | 49 Ų | 49 | 52.1 Ų | 52.1 | 23% | 0.229 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -96.6 | -14.7 | 173.3 | -69.5 | 171.6 | 139.7 | 0 | 0 | 112.1 | R7 W55 T56 Y57 I83 L84 | R7-E59 IonicContact CZ-OE1 3.41Å; R7-E59 IonicContact NH1-OE1 3.92Å; R7-E59 PolarHBondContact NH1-OE1 2.79Å; R7-E59 IonicContact NH1-OE2 3.01Å; R7-E59 PolarHBondContact NH1-OE2 3.11Å; W55-E59 VanDerWaalsContact CA-OE2 3.24Å; W55-E59 WeakPolarHBondContact CA-OE2 3.34Å; T56-E59 PolarHBondContact N-OE2 2.89Å; T56-E59 PolarHBondContact O-N 3.43Å; T56-E59 WeakPolarHBondContact OG1-CG 3.39Å; T56-E59 PolarHBondContact OG1-N 2.94Å; Y57-E59 PolarHBondContact O-N 2.73Å; E59-I83 HydrophobicContact CB-CG2 4.41Å; E59-I83 WeakPolarHBondContact O-CA 2.91Å; E59-L84 PolarHBondContact O-N 3.01Å |
| 60 | I | 94.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 117.3 | 179.7 | -64.9 | 168.7 | 0 | 0 | 0 | 108.1 | V41 W55 Y57 L81 F114 I115 | V41-I60 HydrophobicContact CG2-CD1 4.06Å; W55-I60 HydrophobicContact CB-CG1 4.41Å; Y57-I60 HydrophobicContact CD1-CD1 4.01Å; Y57-I60 PolarHBondContact O-N 3.18Å; Y57-I60 VanDerWaalsContact O-N 3.16Å; I60-L81 HydrophobicContact CB-CD1 4.47Å; I60-L81 HydrophobicContact CD1-CD1 4.05Å; I60-L81 HydrophobicContact CG1-CD1 4.04Å; I60-L81 HydrophobicContact CG2-CD1 3.63Å; I60-F114 HydrophobicContact CB-CD1 4.17Å; I60-F114 HydrophobicContact CB-CG 4.38Å; I60-F114 HydrophobicContact CG2-CD1 4.05Å; I60-F114 HydrophobicContact CG2-CD2 3.99Å; I60-F114 HydrophobicContact CG2-CE1 4.3Å; I60-F114 HydrophobicContact CG2-CE2 4.2Å; I60-F114 HydrophobicContact CG2-CG 3.93Å; I60-F114 HydrophobicContact CG2-CZ 4.36Å; I60-F114 WeakPolarHBondContact O-CA 3.5Å; I60-F114 WeakPolarHBondContact O-CB 3.4Å; I60-I115 PolarHBondContact O-N 3.21Å |
| 61 | Y | 93.2 | Very high | 87.1 | Confident | 45 Ų | 45 | 55.5 Ų | 55.5 | 18% | 0.176 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | -56.7 | 175.5 | -175.2 | -100 | 0 | 0 | 0 | 110.8 | D82 L84 R90 I115 K116 | Y61-D82 PolarHBondContact N-O 3.24Å; Y61-L84 HydrophobicContact CD2-CD1 3.72Å; Y61-L84 HydrophobicContact CG-CD1 4.23Å; Y61-R90 PolarHBondContact OH-NH2 2.68Å; Y61-I115 HydrophobicContact CD2-CB 4.07Å; Y61-I115 HydrophobicContact CD2-CG2 3.88Å; Y61-I115 HydrophobicContact CE2-CG2 4.19Å; Y61-K116 HydrophobicContact CD1-CB 4.31Å; Y61-K116 HydrophobicContact CD2-CB 4.4Å; Y61-K116 HydrophobicContact CE1-CB 3.98Å; Y61-K116 HydrophobicContact CE1-CD 3.93Å; Y61-K116 HydrophobicContact CE1-CG 4.05Å; Y61-K116 HydrophobicContact CE2-CB 4.1Å; Y61-K116 WeakPolarHBondContact O-CB 3.18Å; Y61-K116 PolarHBondContact O-N 3.03Å; Y61-K116 VanDerWaalsContact O-N 3.11Å |
| 62 | E | 92.2 | Very high | 86.3 | Confident | 48 Ų | 48 | 62 Ų | 62 | 22% | 0.224 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 165.5 | -180 | 178.5 | 170.4 | -139.4 | 0 | 0 | 110.2 | D82 K116 | E62-D82 PolarHBondContact O-N 3.04Å; E62-K116 HydrophobicContact CB-CB 4.39Å; E62-K116 HydrophobicContact CB-CD 3.94Å; E62-K116 HydrophobicContact CG-CD 4.03Å; E62-K116 WeakPolarHBondContact OE1-CD 3.49Å; E62-K116 IonicContact OE1-NZ 2.63Å; E62-K116 PolarHBondContact OE1-NZ 3.09Å; E62-K116 WeakPolarHBondContact OE2-CD 3.39Å; E62-K116 WeakPolarHBondContact OE2-CE 3.44Å; E62-K116 IonicContact OE2-NZ 3.65Å; E62-K116 PolarHBondContact OE2-NZ 3.49Å |
| 63 | I | 92.7 | Very high | 85.4 | Confident | 22 Ų | 22 | 64.1 Ų | 64.1 | 11% | 0.113 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 127.8 | 166.8 | -58.1 | 164.4 | 0 | 0 | 0 | 108.5 | F79 I80 L81 L104 L107 L108 F114 | I63-F79 HydrophobicContact CG2-CD2 4.04Å; I63-I80 WeakPolarHBondContact CA-O 3.36Å; I63-L81 HydrophobicContact CD1-CD1 4.4Å; I63-L81 HydrophobicContact CG1-CD1 3.7Å; I63-L104 HydrophobicContact CG2-CD2 3.69Å; I63-L107 HydrophobicContact CD1-CB 4.5Å; I63-L107 HydrophobicContact CD1-CD1 4.46Å; I63-L107 HydrophobicContact CD1-CD2 3.31Å; I63-L107 HydrophobicContact CD1-CG 3.49Å; I63-L107 VanDerWaalsContact CD1-CG 3.49Å; I63-L107 HydrophobicContact CG1-CD2 4.38Å; I63-L108 HydrophobicContact CD1-CD2 4.02Å; I63-F114 HydrophobicContact CD1-CE2 3.52Å; I63-F114 HydrophobicContact CD1-CZ 3.77Å; I63-F114 HydrophobicContact CG1-CE2 3.97Å |
| 64 | K | 91.4 | Very high | 84.6 | Confident | 70 Ų | 70 | 65.4 Ų | 65.4 | 30% | 0.304 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 146.1 | 176.7 | -63.7 | 168.8 | -179.6 | 152 | 0 | 110.3 | F79 I80 D82 E92 | K64-F79 CarbonylContact O-C 3.27Å; K64-F79 WeakPolarHBondContact O-CA 3.37Å; K64-I80 HydrophobicContact CB-CB 4.39Å; K64-I80 PolarHBondContact N-O 3.32Å; K64-I80 PolarHBondContact O-N 3.15Å; K64-D82 WeakPolarHBondContact CE-OD2 3.32Å; K64-D82 IonicContact NZ-OD1 2.59Å; K64-D82 IonicContact NZ-OD2 3.79Å; K64-D82 PolarHBondContact NZ-OD2 2.81Å; K64-E92 IonicContact NZ-OE1 3.69Å; K64-E92 PolarHBondContact NZ-OE1 3Å |
| 65 | I | 91.5 | Very high | 84.1 | Confident | 26 Ų | 26 | 69.6 Ų | 69.6 | 13% | 0.133 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 129.9 | 168.6 | -68.5 | 163.6 | 0 | 0 | 0 | 108.9 | L104 N211 | I65-L104 HydrophobicContact CG1-CD1 4.21Å; I65-N211 VanDerWaalsContact CD1-O 3.28Å; I65-N211 WeakPolarHBondContact CD1-O 3.3Å |
| 66 | D | 87.1 | Confident | 83.6 | Confident | 21 Ų | 21 | 69.3 Ų | 69.3 | 11% | 0.112 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 112.3 | 168.8 | 176.5 | 19.7 | 0 | 0 | 0 | 108.4 | N68 R78 I80 | D66-N68 PolarHBondContact O-N 3.37Å; D66-N68 WeakPolarHBondContact OD1-CB 3.2Å; D66-N68 VanDerWaalsContact OD1-CG 3.31Å; D66-N68 PolarHBondContact OD1-N 3.19Å; D66-N68 PolarHBondContact OD1-ND2 3.28Å; D66-R78 HydrophobicContact CB-CB 3.71Å; D66-R78 PolarHBondContact N-O 3.12Å; D66-R78 VanDerWaalsContact OD2-CD 3.29Å; D66-R78 WeakPolarHBondContact OD2-CD 3.46Å; D66-I80 HydrophobicContact CB-CD1 4.05Å; D66-I80 HydrophobicContact CB-CG1 4.1Å |
| 67 | H | 80.9 | Confident | 83.5 | Confident | 112 Ų | 112 | 72.7 Ų | 72.7 | 52% | 0.519 | 37% | 0.366 | S | S | . | . | trans | -82 | -0.6 | 179.5 | -65.1 | -83.7 | 0 | 0 | 0 | 112.9 | I69 | H67-I69 PolarHBondContact O-N 2.87Š| ||
| 68 | N | 76.7 | Confident | 83.4 | Confident | 115 Ų | 115 | 73.7 Ų | 73.7 | 62% | 0.615 | 37% | 0.37 | S | S | * | . | trans | -72.3 | 93.2 | 176.4 | -67 | -49.4 | 0 | 0 | 0 | 111.5 | D66 | D66-N68 PolarHBondContact O-N 3.37Å; D66-N68 WeakPolarHBondContact OD1-CB 3.2Å; D66-N68 VanDerWaalsContact OD1-CG 3.31Å; D66-N68 PolarHBondContact OD1-N 3.19Å; D66-N68 PolarHBondContact OD1-ND2 3.28Å | ||
| 69 | I | 68.3 | Low | 83.6 | Confident | 120 Ų | 120 | 66.3 Ų | 66.3 | 62% | 0.615 | 34% | 0.335 | S | S | * | . | trans | -82.4 | 120.9 | 172.1 | -57 | 169.1 | 0 | 0 | 0 | 108.2 | H67 | H67-I69 PolarHBondContact O-N 2.87Š| ||
| 70 | K | 70.8 | Confident | 83.8 | Confident | 107 Ų | 107 | 65 Ų | 65 | 47% | 0.465 | 33% | 0.33 | S | S | . | . | trans | -78.4 | 130.4 | 171.4 | -82.3 | -172.1 | -170.2 | -177.8 | 0 | 109.1 | N72 Q73 | K70-N72 PolarHBondContact O-N 2.9Å; K70-N72 VanDerWaalsContact O-N 3.15Å; K70-Q73 CarbonylContact O-C 3.57Å; K70-Q73 PolarHBondContact O-N 3.41Å | ||
| 71 | S | 65.3 | Low | 83.8 | Confident | 110 Ų | 110 | 65 Ų | 65 | 77% | 0.769 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -36.4 | 178.3 | 178.6 | 0 | 0 | 0 | 0 | 113 | Q73 | S71-Q73 VanDerWaalsContact C-N 3.29Å; S71-Q73 PolarHBondContact O-N 2.91Å |
| 72 | N | 72.9 | Confident | 83.9 | Confident | 152 Ų | 152 | 63 Ų | 63 | 81% | 0.813 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -15 | -178.4 | -58.1 | 19 | 0 | 0 | 0 | 114.4 | K70 | K70-N72 PolarHBondContact O-N 2.9Å; K70-N72 VanDerWaalsContact O-N 3.15Å |
| 73 | Q | 72.2 | Confident | 83.9 | Confident | 84 Ų | 84 | 61.2 Ų | 61.2 | 39% | 0.393 | 31% | 0.314 | S | S | . | . | trans | -145.2 | 67.7 | -177 | -68.9 | -177.3 | -27.9 | 0 | 0 | 110.3 | K70 S71 Q75 L76 | K70-Q73 CarbonylContact O-C 3.57Å; K70-Q73 PolarHBondContact O-N 3.41Å; S71-Q73 VanDerWaalsContact C-N 3.29Å; S71-Q73 PolarHBondContact O-N 2.91Å; Q73-Q75 PolarHBondContact O-N 3.42Å; Q73-L76 HydrophobicContact CB-CB 4.29Å; Q73-L76 HydrophobicContact CB-CD1 4.14Å; Q73-L76 HydrophobicContact CG-CD1 4.26Å; Q73-L76 PolarHBondContact O-N 2.89Å | ||
| 74 | P | 73.8 | Confident | 83.8 | Confident | 81 Ų | 81 | 61.7 Ų | 61.7 | 53% | 0.526 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -27.8 | -175.6 | 26.6 | -35.1 | 0 | 0 | 0 | 113 | ||
| 75 | Q | 80 | Confident | 83.4 | Confident | 98 Ų | 98 | 61.4 Ų | 61.4 | 46% | 0.458 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -25.3 | -179.3 | 71.3 | -81.3 | 20 | 0 | 0 | 113.6 | Q73 K77 E98 | Q73-Q75 PolarHBondContact O-N 3.42Å; Q75-K77 PolarHBondContact O-N 2.91Å; Q75-E98 HydrophobicContact CB-CG 4.23Å; Q75-E98 HydrophobicContact CG-CG 3.9Å; Q75-E98 WeakPolarHBondContact CG-OE1 3.46Å |
| 76 | L | 84 | Confident | 82.8 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 9% | 0.089 | 35% | 0.349 | C | S | . | . | trans | -85.4 | 94 | -177.7 | -78.3 | 169.6 | 0 | 0 | 0 | 111.2 | Q73 A96 E98 | Q73-L76 HydrophobicContact CB-CB 4.29Å; Q73-L76 HydrophobicContact CB-CD1 4.14Å; Q73-L76 HydrophobicContact CG-CD1 4.26Å; Q73-L76 PolarHBondContact O-N 2.89Å; L76-A96 HydrophobicContact CB-CB 4.44Å; L76-E98 HydrophobicContact CD2-CG 3.99Å; L76-E98 HydrophobicContact CG-CG 4.44Å | ||
| 77 | K | 90.9 | Very high | 82.7 | Confident | 89 Ų | 89 | 70.7 Ų | 70.7 | 39% | 0.387 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 142.7 | 178.1 | -62.1 | 175.4 | -176.5 | 172.6 | 0 | 110.7 | Q75 A96 T97 R100 | Q75-K77 PolarHBondContact O-N 2.91Å; K77-A96 WeakPolarHBondContact O-CA 3.4Å; K77-T97 PolarHBondContact N-O 3.47Å; K77-T97 PolarHBondContact O-N 2.83Å; K77-T97 VanDerWaalsContact O-O 3.06Å; K77-R100 HydrophobicContact CB-CB 3.82Å; K77-R100 HydrophobicContact CB-CG 4.41Å |
| 78 | R | 91.9 | Very high | 82.7 | Confident | 26 Ų | 26 | 75.9 Ų | 75.9 | 10% | 0.098 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 152.3 | -173.5 | -65.8 | -175.6 | -175.5 | 151.3 | 17.6 | 113.8 | D66 F95 A96 R100 | D66-R78 HydrophobicContact CB-CB 3.71Å; D66-R78 PolarHBondContact N-O 3.12Å; D66-R78 VanDerWaalsContact OD2-CD 3.29Å; D66-R78 WeakPolarHBondContact OD2-CD 3.46Å; R78-F95 VanDerWaalsContact CA-O 3.25Å; R78-F95 WeakPolarHBondContact CA-O 3.42Å; R78-A96 HydrophobicContact CG-CB 3.88Å; R78-R100 VanDerWaalsContact O-CD 3.24Å; R78-R100 WeakPolarHBondContact O-CD 3.5Å; R78-R100 PolarHBondContact O-NH1 3.4Å |
| 79 | F | 94.9 | Very high | 83.3 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 156.9 | 168 | 70 | -84.6 | 0 | 0 | 0 | 109.6 | L21 F34 I63 K64 F95 T97 R100 L103 L104 | L21-F79 HydrophobicContact CD2-CE1 4.27Å; L21-F79 HydrophobicContact CD2-CZ 4.15Å; F34-F79 HydrophobicContact CE2-CZ 4.38Å; F34-F79 HydrophobicContact CZ-CE2 4.47Å; F34-F79 HydrophobicContact CZ-CZ 4.45Å; I63-F79 HydrophobicContact CG2-CD2 4.04Å; K64-F79 CarbonylContact O-C 3.27Å; K64-F79 WeakPolarHBondContact O-CA 3.37Å; F79-F95 HydrophobicContact CD1-CB 4.19Å; F79-F95 HydrophobicContact CE1-CB 3.64Å; F79-F95 HydrophobicContact CE2-CB 4.09Å; F79-F95 AromaticContact CE2-CD2 3.94Å; F79-F95 HydrophobicContact CE2-CD2 3.94Å; F79-F95 HydrophobicContact CE2-CG 4.36Å; F79-F95 HydrophobicContact CZ-CB 3.59Å; F79-F95 HydrophobicContact CZ-CD2 4.13Å; F79-F95 HydrophobicContact CZ-CG 4.09Å; F79-F95 PolarHBondContact N-O 2.91Å; F79-F95 PolarHBondContact O-N 3.2Å; F79-T97 HydrophobicContact CE1-CG2 4.16Å; F79-R100 HydrophobicContact CD1-CG 4.16Å; F79-L103 HydrophobicContact CE1-CD1 4.11Å; F79-L103 HydrophobicContact CE1-CD2 3.97Å; F79-L103 HydrophobicContact CE2-CD2 4.2Å; F79-L103 HydrophobicContact CZ-CD1 4.06Å; F79-L103 HydrophobicContact CZ-CD2 3.62Å; F79-L104 HydrophobicContact CB-CD1 4.42Å; F79-L104 HydrophobicContact CB-CD2 4.37Å; F79-L104 HydrophobicContact CD2-CD2 4.07Å; F79-L104 HydrophobicContact CG-CD2 4.12Å |
| 80 | I | 94.7 | Very high | 84.3 | Confident | 23 Ų | 23 | 77.9 Ų | 77.9 | 12% | 0.118 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 127.9 | -177.4 | -60.9 | 171 | 0 | 0 | 0 | 108 | I63 K64 D66 D82 E92 L93 T94 | I63-I80 WeakPolarHBondContact CA-O 3.36Å; K64-I80 HydrophobicContact CB-CB 4.39Å; K64-I80 PolarHBondContact N-O 3.32Å; K64-I80 PolarHBondContact O-N 3.15Å; D66-I80 HydrophobicContact CB-CD1 4.05Å; D66-I80 HydrophobicContact CB-CG1 4.1Å; I80-D82 WeakPolarHBondContact CG2-OD1 3.43Å; I80-E92 HydrophobicContact CG2-CB 3.65Å; I80-E92 HydrophobicContact CG2-CG 4.16Å; I80-L93 WeakPolarHBondContact CA-O 3.36Å; I80-T94 HydrophobicContact CG1-CG2 4.23Å |
| 81 | L | 94.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 113.4 | 171.9 | -173.8 | 66 | 0 | 0 | 0 | 108.4 | W55 I60 I63 I83 L93 F95 | W55-L81 HydrophobicContact CE3-CD2 4.22Å; W55-L81 HydrophobicContact CZ3-CD2 4.45Å; I60-L81 HydrophobicContact CB-CD1 4.47Å; I60-L81 HydrophobicContact CD1-CD1 4.05Å; I60-L81 HydrophobicContact CG1-CD1 4.04Å; I60-L81 HydrophobicContact CG2-CD1 3.63Å; I63-L81 HydrophobicContact CD1-CD1 4.4Å; I63-L81 HydrophobicContact CG1-CD1 3.7Å; L81-I83 HydrophobicContact CD2-CD1 3.76Å; L81-I83 HydrophobicContact CD2-CG1 4.16Å; L81-I83 HydrophobicContact CG-CD1 4.03Å; L81-I83 HydrophobicContact CG-CG1 3.88Å; L81-L93 HydrophobicContact CB-CB 4.47Å; L81-L93 PolarHBondContact N-O 3.06Å; L81-L93 PolarHBondContact O-N 3.05Å; L81-F95 HydrophobicContact CB-CD2 4.42Å; L81-F95 HydrophobicContact CB-CE2 4.05Å; L81-F95 HydrophobicContact CD2-CE2 4.34Å |
| 82 | D | 94.3 | Very high | 86.5 | Confident | 1 Ų | 1 | 77.4 Ų | 77.4 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 118.1 | 176.3 | -75.3 | 7.8 | 0 | 0 | 0 | 109.3 | Y61 E62 K64 I80 E92 | Y61-D82 PolarHBondContact N-O 3.24Å; E62-D82 PolarHBondContact O-N 3.04Å; K64-D82 WeakPolarHBondContact CE-OD2 3.32Å; K64-D82 IonicContact NZ-OD1 2.59Å; K64-D82 IonicContact NZ-OD2 3.79Å; K64-D82 PolarHBondContact NZ-OD2 2.81Å; I80-D82 WeakPolarHBondContact CG2-OD1 3.43Å; D82-E92 WeakPolarHBondContact OD1-CG 3.41Å |
| 83 | I | 93.4 | Very high | 87.5 | Confident | 11 Ų | 11 | 72 Ų | 72 | 6% | 0.056 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 139.9 | -174.5 | -50.5 | -172.9 | 0 | 0 | 0 | 109.3 | W55 E59 L81 R90 H91 L93 | W55-I83 HydrophobicContact CD2-CD1 3.45Å; W55-I83 VanDerWaalsContact CD2-CD1 3.45Å; W55-I83 HydrophobicContact CE3-CD1 4.15Å; W55-I83 HydrophobicContact CG-CD1 3.61Å; W55-I83 HydrophobicContact CG-CG2 4.27Å; W55-I83 HydrophobicContact CH2-CD1 4.41Å; W55-I83 HydrophobicContact CZ2-CD1 3.8Å; W55-I83 VanDerWaalsContact NE1-CD1 3.31Å; E59-I83 HydrophobicContact CB-CG2 4.41Å; E59-I83 WeakPolarHBondContact O-CA 2.91Å; L81-I83 HydrophobicContact CD2-CD1 3.76Å; L81-I83 HydrophobicContact CD2-CG1 4.16Å; L81-I83 HydrophobicContact CG-CD1 4.03Å; L81-I83 HydrophobicContact CG-CG1 3.88Å; I83-R90 CarbonylContact O-C 3.54Å; I83-R90 WeakPolarHBondContact O-CA 3.15Å; I83-H91 PolarHBondContact N-O 3.07Å; I83-H91 PolarHBondContact O-N 2.96Å; I83-L93 HydrophobicContact CD1-CD1 3.49Å; I83-L93 VanDerWaalsContact CD1-CD1 3.49Å; I83-L93 HydrophobicContact CD1-CG 4.18Å |
| 84 | L | 91.3 | Very high | 88.5 | Confident | 32 Ų | 32 | 69.7 Ų | 69.7 | 17% | 0.168 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 121.4 | 171.7 | -81.4 | 154.8 | 0 | 0 | 0 | 110.1 | E59 Y61 R88 K89 R90 I115 | E59-L84 PolarHBondContact O-N 3.01Å; Y61-L84 HydrophobicContact CD2-CD1 3.72Å; Y61-L84 HydrophobicContact CG-CD1 4.23Å; L84-R88 HydrophobicContact CD2-CB 4.27Å; L84-R88 WeakPolarHBondContact CD2-O 3.41Å; L84-K89 WeakPolarHBondContact CA-O 3.47Å; L84-R90 HydrophobicContact CD2-CG 3.9Å; L84-R90 HydrophobicContact CG-CG 4.32Å; L84-I115 HydrophobicContact CB-CD1 4.33Å; L84-I115 HydrophobicContact CD1-CB 4.49Å; L84-I115 HydrophobicContact CD1-CD1 3.29Å; L84-I115 HydrophobicContact CD1-CG1 4.47Å; L84-I115 HydrophobicContact CD1-CG2 4.31Å; L84-I115 HydrophobicContact CG-CD1 4.38Å |
| 85 | D | 82.6 | Confident | 89.5 | Confident | 65 Ų | 65 | 65.8 Ų | 65.8 | 35% | 0.348 | 31% | 0.307 | S | S | . | . | trans | -70.6 | 167.2 | 168.7 | 177.6 | 32.2 | 0 | 0 | 0 | 110.6 | N87 R88 K89 | D85-N87 PolarHBondContact O-N 3.4Å; D85-N87 VanDerWaalsContact O-N 3.09Å; D85-R88 WeakPolarHBondContact O-CA 3.26Å; D85-R88 PolarHBondContact O-N 3.41Å; D85-K89 PolarHBondContact N-O 2.88Å | ||
| 86 | T | 78.7 | Confident | 90.2 | Very high | 125 Ų | 125 | 61.2 Ų | 61.2 | 77% | 0.767 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.8 | -36.4 | 171.3 | 54.8 | 0 | 0 | 0 | 0 | 113.7 | R88 | T86-R88 PolarHBondContact O-N 3.05Š|
| 87 | N | 84.1 | Confident | 90.6 | Very high | 117 Ų | 117 | 60.5 Ų | 60.5 | 63% | 0.626 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 12.5 | 176 | -65.3 | -53.5 | 0 | 0 | 0 | 114.4 | D85 K89 | D85-N87 PolarHBondContact O-N 3.4Å; D85-N87 VanDerWaalsContact O-N 3.09Å; N87-K89 HydrophobicContact CB-CG 4.31Å; N87-K89 PolarHBondContact O-N 3.38Å; N87-K89 VanDerWaalsContact O-N 3.15Å |
| 88 | R | 81.8 | Confident | 90.6 | Very high | 220 Ų | 220 | 60.4 Ų | 60.4 | 83% | 0.83 | 28% | 0.284 | S | S | * | . | S | Bend | trans | 53.7 | 28.1 | -172.3 | -61.4 | -174.6 | 172.6 | 179.6 | -2 | 114.1 | L84 D85 T86 | L84-R88 HydrophobicContact CD2-CB 4.27Å; L84-R88 WeakPolarHBondContact CD2-O 3.41Å; D85-R88 WeakPolarHBondContact O-CA 3.26Å; D85-R88 PolarHBondContact O-N 3.41Å; T86-R88 PolarHBondContact O-N 3.05Å |
| 89 | K | 89.4 | Confident | 90.7 | Very high | 139 Ų | 139 | 60.6 Ų | 60.6 | 60% | 0.604 | 29% | 0.285 | S | S | * | . | trans | -88.8 | 138.5 | 171.1 | -67.4 | -173.6 | -179.5 | -179.7 | 0 | 109.9 | L84 D85 N87 | L84-K89 WeakPolarHBondContact CA-O 3.47Å; D85-K89 PolarHBondContact N-O 2.88Å; N87-K89 HydrophobicContact CB-CG 4.31Å; N87-K89 PolarHBondContact O-N 3.38Å; N87-K89 VanDerWaalsContact O-N 3.15Å | ||
| 90 | R | 89.2 | Confident | 90.7 | Very high | 138 Ų | 138 | 61.1 Ų | 61.1 | 52% | 0.521 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 133.2 | 179.3 | -64.8 | -172.9 | -169 | 174.2 | 7 | 111.1 | Y61 I83 L84 | Y61-R90 PolarHBondContact OH-NH2 2.68Å; I83-R90 CarbonylContact O-C 3.54Å; I83-R90 WeakPolarHBondContact O-CA 3.15Å; L84-R90 HydrophobicContact CD2-CG 3.9Å; L84-R90 HydrophobicContact CG-CG 4.32Å |
| 91 | H | 90.6 | Very high | 90.6 | Very high | 98 Ų | 98 | 61 Ų | 61 | 45% | 0.454 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 126.1 | 172.8 | -70.1 | -80.4 | 0 | 0 | 0 | 109.6 | I83 | I83-H91 PolarHBondContact N-O 3.07Å; I83-H91 PolarHBondContact O-N 2.96Å |
| 92 | E | 91.7 | Very high | 90.6 | Very high | 110 Ų | 110 | 63.6 Ų | 63.6 | 51% | 0.514 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 125.5 | 178.5 | -59.7 | -160.1 | 154.3 | 0 | 0 | 109.8 | K64 I80 D82 | K64-E92 IonicContact NZ-OE1 3.69Å; K64-E92 PolarHBondContact NZ-OE1 3Å; I80-E92 HydrophobicContact CG2-CB 3.65Å; I80-E92 HydrophobicContact CG2-CG 4.16Å; D82-E92 WeakPolarHBondContact OD1-CG 3.41Å |
| 93 | L | 92.9 | Very high | 90.7 | Very high | 37 Ų | 37 | 63.5 Ų | 63.5 | 19% | 0.194 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 114.1 | 173.5 | -64.1 | -175.8 | 0 | 0 | 0 | 110.3 | W55 I80 L81 I83 F95 | W55-L93 HydrophobicContact CH2-CD1 3.47Å; W55-L93 VanDerWaalsContact CH2-CD1 3.47Å; W55-L93 HydrophobicContact CZ2-CD1 3.24Å; W55-L93 HydrophobicContact CZ3-CD1 4.43Å; I80-L93 WeakPolarHBondContact CA-O 3.36Å; L81-L93 HydrophobicContact CB-CB 4.47Å; L81-L93 PolarHBondContact N-O 3.06Å; L81-L93 PolarHBondContact O-N 3.05Å; I83-L93 HydrophobicContact CD1-CD1 3.49Å; I83-L93 VanDerWaalsContact CD1-CD1 3.49Å; I83-L93 HydrophobicContact CD1-CG 4.18Å; L93-F95 HydrophobicContact CB-CD2 4.49Å; L93-F95 HydrophobicContact CB-CE2 3.7Å; L93-F95 HydrophobicContact CB-CZ 4.17Å; L93-F95 HydrophobicContact CD1-CZ 4.41Å; L93-F95 WeakPolarHBondContact O-CD2 3.34Å |
| 94 | T | 93.6 | Very high | 90.8 | Very high | 36 Ų | 36 | 63 Ų | 63 | 22% | 0.221 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 130.3 | -179.7 | -47.1 | 0 | 0 | 0 | 0 | 111.4 | M24 I80 | M24-T94 HydrophobicContact CB-CG2 4.21Å; M24-T94 WeakPolarHBondContact CB-O 3.36Å; M24-T94 HydrophobicContact CG-CG2 4.19Å; M24-T94 PolarHBondContact N-O 2.89Å; I80-T94 HydrophobicContact CG1-CG2 4.23Å |
| 95 | F | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 150.3 | 175.3 | -61.4 | -84.2 | 0 | 0 | 0 | 110.5 | L21 T22 K23 F34 T43 W55 R78 F79 L81 L93 | L21-F95 HydrophobicContact CD1-CB 4.35Å; L21-F95 HydrophobicContact CD1-CD1 3.52Å; L21-F95 HydrophobicContact CD1-CE1 4.25Å; L21-F95 HydrophobicContact CD1-CG 4.32Å; L21-F95 HydrophobicContact CD2-CB 4.27Å; L21-F95 HydrophobicContact CD2-CD1 4.43Å; T22-F95 CarbonylContact O-C 3.49Å; T22-F95 WeakPolarHBondContact O-CA 3.48Å; K23-F95 HydrophobicContact CB-CD1 3.87Å; K23-F95 HydrophobicContact CB-CE1 3.8Å; K23-F95 HydrophobicContact CD-CE1 4.02Å; K23-F95 HydrophobicContact CG-CD1 4.04Å; K23-F95 HydrophobicContact CG-CE1 3.65Å; K23-F95 HydrophobicContact CG-CZ 4.38Å; F34-F95 HydrophobicContact CD2-CE1 4.38Å; F34-F95 HydrophobicContact CD2-CZ 4.48Å; F34-F95 HydrophobicContact CE2-CD2 4.49Å; F34-F95 HydrophobicContact CE2-CE2 4.26Å; F34-F95 HydrophobicContact CE2-CZ 4.33Å; T43-F95 HydrophobicContact CG2-CE1 4.3Å; T43-F95 HydrophobicContact CG2-CZ 4.46Å; W55-F95 HydrophobicContact CH2-CZ 4.38Å; W55-F95 HydrophobicContact CZ3-CZ 4.48Å; R78-F95 VanDerWaalsContact CA-O 3.25Å; R78-F95 WeakPolarHBondContact CA-O 3.42Å; F79-F95 HydrophobicContact CD1-CB 4.19Å; F79-F95 HydrophobicContact CE1-CB 3.64Å; F79-F95 HydrophobicContact CE2-CB 4.09Å; F79-F95 AromaticContact CE2-CD2 3.94Å; F79-F95 HydrophobicContact CE2-CD2 3.94Å; F79-F95 HydrophobicContact CE2-CG 4.36Å; F79-F95 HydrophobicContact CZ-CB 3.59Å; F79-F95 HydrophobicContact CZ-CD2 4.13Å; F79-F95 HydrophobicContact CZ-CG 4.09Å; F79-F95 PolarHBondContact N-O 2.91Å; F79-F95 PolarHBondContact O-N 3.2Å; L81-F95 HydrophobicContact CB-CD2 4.42Å; L81-F95 HydrophobicContact CB-CE2 4.05Å; L81-F95 HydrophobicContact CD2-CE2 4.34Å; L93-F95 HydrophobicContact CB-CD2 4.49Å; L93-F95 HydrophobicContact CB-CE2 3.7Å; L93-F95 HydrophobicContact CB-CZ 4.17Å; L93-F95 HydrophobicContact CD1-CZ 4.41Å; L93-F95 WeakPolarHBondContact O-CD2 3.34Å |
| 96 | A | 93.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 2% | 0.017 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 129.8 | -180 | 0 | 0 | 0 | 0 | 0 | 110.9 | T22 M24 L76 K77 R78 | T22-A96 PolarHBondContact N-O 3.22Å; T22-A96 PolarHBondContact O-N 3.26Å; M24-A96 HydrophobicContact CG-CB 4.28Å; M24-A96 HydrophobicContact SD-CB 4.2Å; L76-A96 HydrophobicContact CB-CB 4.44Å; K77-A96 WeakPolarHBondContact O-CA 3.4Å; R78-A96 HydrophobicContact CG-CB 3.88Å |
| 97 | T | 93.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 152.2 | 178.7 | -179.3 | 0 | 0 | 0 | 0 | 110.7 | K77 F79 Y99 R100 L103 | K77-T97 PolarHBondContact N-O 3.47Å; K77-T97 PolarHBondContact O-N 2.83Å; K77-T97 VanDerWaalsContact O-O 3.06Å; F79-T97 HydrophobicContact CE1-CG2 4.16Å; T97-Y99 VanDerWaalsContact C-N 3.28Å; T97-Y99 PolarHBondContact OG1-N 3.13Å; T97-Y99 VanDerWaalsContact OG1-N 3.17Å; T97-R100 HydrophobicContact CG2-CB 3.98Å; T97-L103 HydrophobicContact CG2-CD1 4.34Å |
| 98 | E | 91.4 | Very high | 92.8 | Very high | 86 Ų | 86 | 49 Ų | 49 | 40% | 0.402 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -30.6 | 172 | -63.9 | 172.8 | 176.6 | 0 | 0 | 110.5 | Q75 L76 R100 | Q75-E98 HydrophobicContact CB-CG 4.23Å; Q75-E98 HydrophobicContact CG-CG 3.9Å; Q75-E98 WeakPolarHBondContact CG-OE1 3.46Å; L76-E98 HydrophobicContact CD2-CG 3.99Å; L76-E98 HydrophobicContact CG-CG 4.44Å; E98-R100 VanDerWaalsContact C-N 3.34Å; E98-R100 PolarHBondContact O-N 2.87Å |
| 99 | Y | 93.1 | Very high | 93.2 | Very high | 31 Ų | 31 | 43.4 Ų | 43.4 | 12% | 0.122 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 39.6 | -176.3 | -46.5 | -65.1 | 0 | 0 | 0 | 112.5 | T97 V101 E102 L103 I358 P359 N362 | T97-Y99 VanDerWaalsContact C-N 3.28Å; T97-Y99 PolarHBondContact OG1-N 3.13Å; T97-Y99 VanDerWaalsContact OG1-N 3.17Å; Y99-V101 VanDerWaalsContact C-N 3.28Å; Y99-V101 PolarHBondContact O-N 3.17Å; Y99-E102 WeakPolarHBondContact CA-OE2 3.28Å; Y99-L103 WeakPolarHBondContact O-CB 3.39Å; Y99-L103 PolarHBondContact O-N 3.33Å; Y99-I358 HydrophobicContact CE1-CG2 4.41Å; Y99-I358 HydrophobicContact CE2-CG1 4.35Å; Y99-I358 HydrophobicContact CE2-CG2 3.9Å; Y99-P359 HydrophobicContact CD1-CG 3.58Å; Y99-P359 HydrophobicContact CD2-CG 4.3Å; Y99-P359 HydrophobicContact CE1-CG 4.19Å; Y99-P359 HydrophobicContact CG-CG 3.63Å; Y99-N362 HydrophobicContact CE1-CB 4.3Å |
| 100 | R | 94.5 | Very high | 93.4 | Very high | 11 Ų | 11 | 38.3 Ų | 38.3 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.3 | -40.2 | -174.4 | -177.5 | -168.5 | 67.3 | -174.9 | -0.2 | 110.9 | K77 R78 F79 T97 E98 L104 L212 S213 | K77-R100 HydrophobicContact CB-CB 3.82Å; K77-R100 HydrophobicContact CB-CG 4.41Å; R78-R100 VanDerWaalsContact O-CD 3.24Å; R78-R100 WeakPolarHBondContact O-CD 3.5Å; R78-R100 PolarHBondContact O-NH1 3.4Å; F79-R100 HydrophobicContact CD1-CG 4.16Å; T97-R100 HydrophobicContact CG2-CB 3.98Å; E98-R100 VanDerWaalsContact C-N 3.34Å; E98-R100 PolarHBondContact O-N 2.87Å; R100-L104 HydrophobicContact CG-CD1 3.74Å; R100-L104 HydrophobicContact CG-CG 4.11Å; R100-L104 VanDerWaalsContact O-CB 3.29Å; R100-L104 WeakPolarHBondContact O-CB 3.31Å; R100-L104 WeakPolarHBondContact O-CG 3.48Å; R100-L104 PolarHBondContact O-N 3.2Å; R100-L212 PolarHBondContact NH2-O 3.17Å; R100-L212 VanDerWaalsContact NH2-O 3.15Å; R100-S213 PolarHBondContact NH2-OG 3.45Å |
| 101 | V | 93.9 | Very high | 93.4 | Very high | 19 Ų | 19 | 34.4 Ų | 34.4 | 12% | 0.115 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.8 | -48.5 | -175.3 | 177.5 | 0 | 0 | 0 | 0 | 109.6 | Y99 L104 T105 K164 L212 V214 | Y99-V101 VanDerWaalsContact C-N 3.28Å; Y99-V101 PolarHBondContact O-N 3.17Å; V101-L104 PolarHBondContact O-N 3.31Å; V101-T105 WeakPolarHBondContact O-CB 3.48Å; V101-T105 PolarHBondContact O-N 2.86Å; V101-T105 PolarHBondContact O-OG1 3.27Å; V101-K164 HydrophobicContact CG1-CB 3.69Å; V101-L212 HydrophobicContact CG1-CD1 4.44Å; V101-V214 HydrophobicContact CG1-CG2 3.73Å; V101-V214 HydrophobicContact CG2-CG2 3.92Å |
| 102 | E | 93.9 | Very high | 93.3 | Very high | 55 Ų | 55 | 35 Ų | 35 | 26% | 0.257 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.4 | -47.7 | 179.2 | -59.9 | 83.6 | 168.5 | 0 | 0 | 111.4 | Y19 Y99 L104 T105 D106 P359 | Y19-E102 HydrophobicContact CE1-CB 4.01Å; Y99-E102 WeakPolarHBondContact CA-OE2 3.28Å; E102-L104 PolarHBondContact O-N 2.75Å; E102-T105 PolarHBondContact O-N 3.4Å; E102-D106 PolarHBondContact O-N 3.46Å; E102-D106 VanDerWaalsContact O-N 3.11Å; E102-P359 HydrophobicContact CB-CG 4.23Å; E102-P359 HydrophobicContact CG-CB 4.46Å; E102-P359 HydrophobicContact CG-CG 4.04Å |
| 103 | L | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.7 | -47.3 | 177.7 | -177 | 159.4 | 0 | 0 | 0 | 111.5 | Y19 L21 F34 I36 F79 T97 Y99 D106 L107 | Y19-L103 HydrophobicContact CD1-CB 4.14Å; Y19-L103 HydrophobicContact CD2-CB 4.1Å; Y19-L103 HydrophobicContact CD2-CD1 4.13Å; Y19-L103 HydrophobicContact CD2-CG 3.94Å; Y19-L103 HydrophobicContact CE1-CB 4.22Å; Y19-L103 HydrophobicContact CE2-CB 4.21Å; Y19-L103 HydrophobicContact CE2-CG 4.37Å; Y19-L103 HydrophobicContact CG-CB 4.09Å; Y19-L103 HydrophobicContact CG-CD1 3.94Å; Y19-L103 HydrophobicContact CG-CG 4.14Å; L21-L103 HydrophobicContact CD2-CD1 3.6Å; F34-L103 HydrophobicContact CD1-CD1 3.99Å; F34-L103 HydrophobicContact CD1-CD2 4.44Å; F34-L103 HydrophobicContact CD1-CG 4.36Å; F34-L103 HydrophobicContact CE1-CD1 4.43Å; F34-L103 HydrophobicContact CE1-CD2 4.09Å; F34-L103 HydrophobicContact CE1-CG 4.46Å; F34-L103 HydrophobicContact CG-CD1 4.38Å; I36-L103 HydrophobicContact CD1-CG 4.44Å; F79-L103 HydrophobicContact CE1-CD1 4.11Å; F79-L103 HydrophobicContact CE1-CD2 3.97Å; F79-L103 HydrophobicContact CE2-CD2 4.2Å; F79-L103 HydrophobicContact CZ-CD1 4.06Å; F79-L103 HydrophobicContact CZ-CD2 3.62Å; T97-L103 HydrophobicContact CG2-CD1 4.34Å; Y99-L103 WeakPolarHBondContact O-CB 3.39Å; Y99-L103 PolarHBondContact O-N 3.33Å; L103-D106 PolarHBondContact O-N 3.25Å; L103-L107 HydrophobicContact CD2-CB 4.47Å; L103-L107 HydrophobicContact CD2-CD2 4.2Å; L103-L107 WeakPolarHBondContact O-CB 3.46Å; L103-L107 PolarHBondContact O-N 2.79Å |
| 104 | L | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.9 | -35.4 | -178.9 | -70.4 | -177 | 0 | 0 | 0 | 111.7 | I63 I65 F79 R100 V101 E102 D106 L107 L108 L212 | I63-L104 HydrophobicContact CG2-CD2 3.69Å; I65-L104 HydrophobicContact CG1-CD1 4.21Å; F79-L104 HydrophobicContact CB-CD1 4.42Å; F79-L104 HydrophobicContact CB-CD2 4.37Å; F79-L104 HydrophobicContact CD2-CD2 4.07Å; F79-L104 HydrophobicContact CG-CD2 4.12Å; R100-L104 HydrophobicContact CG-CD1 3.74Å; R100-L104 HydrophobicContact CG-CG 4.11Å; R100-L104 VanDerWaalsContact O-CB 3.29Å; R100-L104 WeakPolarHBondContact O-CB 3.31Å; R100-L104 WeakPolarHBondContact O-CG 3.48Å; R100-L104 PolarHBondContact O-N 3.2Å; V101-L104 PolarHBondContact O-N 3.31Å; E102-L104 PolarHBondContact O-N 2.75Å; L104-D106 VanDerWaalsContact C-N 3.35Å; L104-D106 PolarHBondContact O-N 2.82Å; L104-L107 PolarHBondContact O-N 3.31Å; L104-L108 HydrophobicContact CB-CD1 4.3Å; L104-L108 WeakPolarHBondContact O-CB 3.43Å; L104-L108 WeakPolarHBondContact O-CD1 3.22Å; L104-L108 WeakPolarHBondContact O-CG 3.29Å; L104-L108 PolarHBondContact O-N 3.01Å; L104-L212 HydrophobicContact CB-CD2 3.44Å; L104-L212 VanDerWaalsContact CB-CD2 3.44Å; L104-L212 HydrophobicContact CD1-CD2 4.45Å |
| 105 | T | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.2 | -50.3 | 171.4 | -63.7 | 0 | 0 | 0 | 0 | 110.6 | V101 E102 L107 H109 I145 D162 K164 | V101-T105 WeakPolarHBondContact O-CB 3.48Å; V101-T105 PolarHBondContact O-N 2.86Å; V101-T105 PolarHBondContact O-OG1 3.27Å; E102-T105 PolarHBondContact O-N 3.4Å; T105-L107 PolarHBondContact O-N 3.37Å; T105-H109 PolarHBondContact O-CD2 3.16Å; T105-H109 PolarHBondContact O-N 3.2Å; T105-I145 HydrophobicContact CG2-CB 4.47Å; T105-I145 HydrophobicContact CG2-CD1 4.42Å; T105-I145 WeakPolarHBondContact O-CD1 3.33Å; T105-D162 HydrophobicContact CG2-CB 4.48Å; T105-K164 HydrophobicContact CG2-CD 3.98Å |
| 106 | D | 93.9 | Very high | 92.9 | Very high | 30 Ų | 30 | 41.1 Ų | 41.1 | 16% | 0.16 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.4 | -43.1 | 178.8 | -73.2 | 1 | 0 | 0 | 0 | 112.6 | S17 Y19 I36 E102 L103 L104 | S17-D106 WeakPolarHBondContact CB-OD2 3.38Å; S17-D106 PolarHBondContact OG-OD2 3.43Å; Y19-D106 HydrophobicContact CE2-CB 4.45Å; Y19-D106 WeakPolarHBondContact CE2-OD2 3.45Å; Y19-D106 PolarHBondContact OH-OD2 2.87Å; I36-D106 HydrophobicContact CD1-CB 3.52Å; E102-D106 PolarHBondContact O-N 3.46Å; E102-D106 VanDerWaalsContact O-N 3.11Å; L103-D106 PolarHBondContact O-N 3.25Å; L104-D106 VanDerWaalsContact C-N 3.35Å; L104-D106 PolarHBondContact O-N 2.82Å |
| 107 | L | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73 | -38.5 | -174.2 | -179.9 | 53.2 | 0 | 0 | 0 | 111.8 | F34 I36 V41 Y57 I63 L103 L104 T105 H109 F110 F114 | F34-L107 HydrophobicContact CE1-CD2 3.99Å; F34-L107 HydrophobicContact CZ-CD2 3.87Å; I36-L107 HydrophobicContact CD1-CB 3.73Å; I36-L107 HydrophobicContact CG1-CB 4.22Å; I36-L107 HydrophobicContact CG1-CD1 4.25Å; I36-L107 HydrophobicContact CG2-CD1 4.23Å; V41-L107 HydrophobicContact CG2-CD1 3.49Å; V41-L107 VanDerWaalsContact CG2-CD1 3.49Å; Y57-L107 HydrophobicContact CE1-CD1 3.97Å; I63-L107 HydrophobicContact CD1-CB 4.5Å; I63-L107 HydrophobicContact CD1-CD1 4.46Å; I63-L107 HydrophobicContact CD1-CD2 3.31Å; I63-L107 HydrophobicContact CD1-CG 3.49Å; I63-L107 VanDerWaalsContact CD1-CG 3.49Å; I63-L107 HydrophobicContact CG1-CD2 4.38Å; L103-L107 HydrophobicContact CD2-CB 4.47Å; L103-L107 HydrophobicContact CD2-CD2 4.2Å; L103-L107 WeakPolarHBondContact O-CB 3.46Å; L103-L107 PolarHBondContact O-N 2.79Å; L104-L107 PolarHBondContact O-N 3.31Å; T105-L107 PolarHBondContact O-N 3.37Å; L107-H109 VanDerWaalsContact C-N 3.26Å; L107-H109 PolarHBondContact O-N 2.83Å; L107-F110 PolarHBondContact O-N 2.97Å; L107-F110 VanDerWaalsContact O-N 3.12Å; L107-F114 HydrophobicContact CD1-CZ 4.32Å; L107-F114 HydrophobicContact CG-CZ 4.41Å |
| 108 | L | 94.1 | Very high | 91.5 | Very high | 15 Ų | 15 | 54.2 Ų | 54.2 | 8% | 0.079 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -76.1 | -9.6 | -179 | -68 | 170.3 | 0 | 0 | 0 | 113.1 | I63 L104 F110 R111 F114 I145 N211 L212 | I63-L108 HydrophobicContact CD1-CD2 4.02Å; L104-L108 HydrophobicContact CB-CD1 4.3Å; L104-L108 WeakPolarHBondContact O-CB 3.43Å; L104-L108 WeakPolarHBondContact O-CD1 3.22Å; L104-L108 WeakPolarHBondContact O-CG 3.29Å; L104-L108 PolarHBondContact O-N 3.01Å; L108-F110 PolarHBondContact O-N 3.24Å; L108-R111 HydrophobicContact CB-CB 4.45Å; L108-R111 HydrophobicContact CD2-CB 4.19Å; L108-R111 HydrophobicContact CD2-CG 4.32Å; L108-R111 WeakPolarHBondContact O-CB 3.47Å; L108-R111 PolarHBondContact O-N 2.81Å; L108-F114 HydrophobicContact CD2-CE2 4.26Å; L108-I145 HydrophobicContact CB-CG2 3.48Å; L108-I145 VanDerWaalsContact CB-CG2 3.48Å; L108-I145 HydrophobicContact CD1-CG2 3.67Å; L108-I145 HydrophobicContact CG-CG2 4.22Å; L108-N211 HydrophobicContact CD1-CB 4.35Å; L108-L212 HydrophobicContact CD1-CD2 4.06Å |
| 109 | H | 90.9 | Very high | 90.9 | Very high | 102 Ų | 102 | 58.5 Ų | 58.5 | 47% | 0.472 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.6 | 163.2 | -80.7 | -63.8 | 0 | 0 | 0 | 112.2 | T105 L107 I145 | T105-H109 PolarHBondContact O-CD2 3.16Å; T105-H109 PolarHBondContact O-N 3.2Å; L107-H109 VanDerWaalsContact C-N 3.26Å; L107-H109 PolarHBondContact O-N 2.83Å; H109-I145 HydrophobicContact CB-CD1 4.49Å; H109-I145 VanDerWaalsContact CE1-CD1 3.42Å; H109-I145 WeakPolarHBondContact CE1-CD1 3.47Å; H109-I145 WeakPolarHBondContact ND1-CD1 3.37Å |
| 110 | F | 92.6 | Very high | 90.4 | Very high | 33 Ų | 33 | 62.5 Ų | 62.5 | 15% | 0.145 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 7 | 176.2 | -60.5 | -84.4 | 0 | 0 | 0 | 113.3 | V16 I36 Y57 L107 L108 D112 R113 F114 | V16-F110 HydrophobicContact CG2-CZ 4.34Å; I36-F110 HydrophobicContact CG2-CD2 3.91Å; I36-F110 HydrophobicContact CG2-CE2 3.85Å; Y57-F110 HydrophobicContact CD1-CB 4.13Å; Y57-F110 HydrophobicContact CD2-CB 4.05Å; Y57-F110 HydrophobicContact CD2-CD1 4.24Å; Y57-F110 HydrophobicContact CD2-CG 4.34Å; Y57-F110 HydrophobicContact CE1-CB 3.67Å; Y57-F110 HydrophobicContact CE1-CG 4.18Å; Y57-F110 HydrophobicContact CE2-CB 3.58Å; Y57-F110 AromaticContact CE2-CD1 3.47Å; Y57-F110 HydrophobicContact CE2-CD1 3.47Å; Y57-F110 VanDerWaalsContact CE2-CD1 3.47Å; Y57-F110 HydrophobicContact CE2-CD2 4.21Å; Y57-F110 HydrophobicContact CE2-CE1 4.18Å; Y57-F110 AromaticContact CE2-CG 3.48Å; Y57-F110 HydrophobicContact CE2-CG 3.48Å; Y57-F110 VanDerWaalsContact CE2-CG 3.48Å; Y57-F110 HydrophobicContact CG-CB 4.3Å; Y57-F110 AromaticContact CZ-CD1 3.9Å; Y57-F110 AromaticContact CZ-CD2 3.76Å; Y57-F110 AromaticContact CZ-CG 3.39Å; Y57-F110 WeakPolarHBondContact OH-CD2 3.4Å; Y57-F110 VanDerWaalsContact OH-CG 3.32Å; Y57-F110 WeakPolarHBondContact OH-CG 3.17Å; L107-F110 PolarHBondContact O-N 2.97Å; L107-F110 VanDerWaalsContact O-N 3.12Å; L108-F110 PolarHBondContact O-N 3.24Å; F110-D112 PolarHBondContact O-N 3.31Å; F110-R113 WeakPolarHBondContact O-CB 3.34Å; F110-R113 PolarHBondContact O-N 2.64Å; F110-F114 HydrophobicContact CB-CE1 4.43Å; F110-F114 WeakPolarHBondContact O-CE1 3.3Å |
| 111 | R | 90.1 | Very high | 90.1 | Very high | 55 Ų | 55 | 65 Ų | 65 | 21% | 0.208 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -51.8 | -29.8 | 178 | -178.7 | -174.4 | 178.5 | -118.5 | 4.1 | 112 | L108 R113 F114 | L108-R111 HydrophobicContact CB-CB 4.45Å; L108-R111 HydrophobicContact CD2-CB 4.19Å; L108-R111 HydrophobicContact CD2-CG 4.32Å; L108-R111 WeakPolarHBondContact O-CB 3.47Å; L108-R111 PolarHBondContact O-N 2.81Å; R111-R113 PolarHBondContact O-N 3.08Å; R111-F114 HydrophobicContact CB-CD2 4.4Å; R111-F114 HydrophobicContact CB-CE2 4.22Å; R111-F114 HydrophobicContact CG-CD2 4.21Å; R111-F114 HydrophobicContact CG-CE2 4.38Å; R111-F114 PolarHBondContact O-N 3.02Å |
| 112 | D | 88.7 | Confident | 90 | Very high | 111 Ų | 111 | 66.5 Ų | 66.5 | 59% | 0.594 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -62.5 | -12 | 177.9 | -82.1 | -35 | 0 | 0 | 0 | 115.3 | F110 K118 | F110-D112 PolarHBondContact O-N 3.31Å; D112-K118 VanDerWaalsContact C-NZ 3.29Å; D112-K118 VanDerWaalsContact CA-CE 3.44Å; D112-K118 VanDerWaalsContact O-CE 3.24Å; D112-K118 WeakPolarHBondContact O-CE 3.42Å; D112-K118 PolarHBondContact O-NZ 2.86Å; D112-K118 VanDerWaalsContact OD1-CD 3.26Å; D112-K118 WeakPolarHBondContact OD1-CD 3.5Å; D112-K118 WeakPolarHBondContact OD1-CE 3.25Å; D112-K118 IonicContact OD1-NZ 4Å; D112-K118 PolarHBondContact OD1-NZ 2.93Å |
| 113 | R | 92.1 | Very high | 90 | Very high | 133 Ų | 133 | 71.8 Ų | 71.8 | 50% | 0.502 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -108.6 | 2.6 | -178.2 | -55.6 | -178.1 | -174 | -170 | 1.6 | 113.2 | T38 Y57 F110 R111 | T38-R113 PolarHBondContact O-NH1 3.43Å; Y57-R113 CarbonylContact C-O 3.45Å; Y57-R113 VanDerWaalsContact C-O 3.27Å; Y57-R113 HydrophobicContact CD2-CB 4.32Å; Y57-R113 HydrophobicContact CG-CB 4.17Å; F110-R113 WeakPolarHBondContact O-CB 3.34Å; F110-R113 PolarHBondContact O-N 2.64Å; R111-R113 PolarHBondContact O-N 3.08Å |
| 114 | F | 93.4 | Very high | 90 | Very high | 20 Ų | 20 | 72.3 Ų | 72.3 | 9% | 0.088 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -80.8 | 161.7 | 177.1 | -58.8 | -5.1 | 0 | 0 | 0 | 111 | Y57 I60 I63 L107 L108 F110 R111 | Y57-F114 AromaticContact CD1-CD1 3.97Å; Y57-F114 HydrophobicContact CD1-CD1 3.97Å; Y57-F114 AromaticContact CD1-CE1 3.41Å; Y57-F114 HydrophobicContact CD1-CE1 3.41Å; Y57-F114 VanDerWaalsContact CD1-CE1 3.41Å; Y57-F114 HydrophobicContact CD1-CZ 4.48Å; Y57-F114 AromaticContact CE1-CE1 3.93Å; Y57-F114 HydrophobicContact CE1-CE1 3.93Å; Y57-F114 HydrophobicContact CG-CD1 4.44Å; Y57-F114 HydrophobicContact CG-CE1 4.21Å; I60-F114 HydrophobicContact CB-CD1 4.17Å; I60-F114 HydrophobicContact CB-CG 4.38Å; I60-F114 HydrophobicContact CG2-CD1 4.05Å; I60-F114 HydrophobicContact CG2-CD2 3.99Å; I60-F114 HydrophobicContact CG2-CE1 4.3Å; I60-F114 HydrophobicContact CG2-CE2 4.2Å; I60-F114 HydrophobicContact CG2-CG 3.93Å; I60-F114 HydrophobicContact CG2-CZ 4.36Å; I60-F114 WeakPolarHBondContact O-CA 3.5Å; I60-F114 WeakPolarHBondContact O-CB 3.4Å; I63-F114 HydrophobicContact CD1-CE2 3.52Å; I63-F114 HydrophobicContact CD1-CZ 3.77Å; I63-F114 HydrophobicContact CG1-CE2 3.97Å; L107-F114 HydrophobicContact CD1-CZ 4.32Å; L107-F114 HydrophobicContact CG-CZ 4.41Å; L108-F114 HydrophobicContact CD2-CE2 4.26Å; F110-F114 HydrophobicContact CB-CE1 4.43Å; F110-F114 WeakPolarHBondContact O-CE1 3.3Å; R111-F114 HydrophobicContact CB-CD2 4.4Å; R111-F114 HydrophobicContact CB-CE2 4.22Å; R111-F114 HydrophobicContact CG-CD2 4.21Å; R111-F114 HydrophobicContact CG-CE2 4.38Å; R111-F114 PolarHBondContact O-N 3.02Å |
| 115 | I | 89.6 | Confident | 89.9 | Confident | 80 Ų | 80 | 79 Ų | 79 | 41% | 0.41 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -71.2 | -39.7 | -176.2 | -64.8 | 169.1 | 0 | 0 | 0 | 112.7 | E58 I60 Y61 L84 E117 | E58-I115 WeakPolarHBondContact O-CD1 3.33Å; E58-I115 WeakPolarHBondContact O-CG1 3.48Å; I60-I115 PolarHBondContact O-N 3.21Å; Y61-I115 HydrophobicContact CD2-CB 4.07Å; Y61-I115 HydrophobicContact CD2-CG2 3.88Å; Y61-I115 HydrophobicContact CE2-CG2 4.19Å; L84-I115 HydrophobicContact CB-CD1 4.33Å; L84-I115 HydrophobicContact CD1-CB 4.49Å; L84-I115 HydrophobicContact CD1-CD1 3.29Å; L84-I115 HydrophobicContact CD1-CG1 4.47Å; L84-I115 HydrophobicContact CD1-CG2 4.31Å; L84-I115 HydrophobicContact CG-CD1 4.38Å; I115-E117 PolarHBondContact O-N 2.82Å |
| 116 | K | 88.5 | Confident | 90 | Very high | 79 Ų | 79 | 79.3 Ų | 79.3 | 34% | 0.343 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -62.7 | 134.5 | -172.2 | -177.1 | 179.5 | -179.8 | -178.8 | 0 | 111.5 | Y61 E62 K118 | Y61-K116 HydrophobicContact CD1-CB 4.31Å; Y61-K116 HydrophobicContact CD2-CB 4.4Å; Y61-K116 HydrophobicContact CE1-CB 3.98Å; Y61-K116 HydrophobicContact CE1-CD 3.93Å; Y61-K116 HydrophobicContact CE1-CG 4.05Å; Y61-K116 HydrophobicContact CE2-CB 4.1Å; Y61-K116 WeakPolarHBondContact O-CB 3.18Å; Y61-K116 PolarHBondContact O-N 3.03Å; Y61-K116 VanDerWaalsContact O-N 3.11Å; E62-K116 HydrophobicContact CB-CB 4.39Å; E62-K116 HydrophobicContact CB-CD 3.94Å; E62-K116 HydrophobicContact CG-CD 4.03Å; E62-K116 WeakPolarHBondContact OE1-CD 3.49Å; E62-K116 IonicContact OE1-NZ 2.63Å; E62-K116 PolarHBondContact OE1-NZ 3.09Å; E62-K116 WeakPolarHBondContact OE2-CD 3.39Å; E62-K116 WeakPolarHBondContact OE2-CE 3.44Å; E62-K116 IonicContact OE2-NZ 3.65Å; E62-K116 PolarHBondContact OE2-NZ 3.49Å; K116-K118 PolarHBondContact O-N 3.27Å |
| 117 | E | 80.4 | Confident | 90.1 | Very high | 183 Ų | 183 | 79.4 Ų | 79.4 | 86% | 0.855 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 134 | 174.4 | -72.3 | -177.6 | 177.3 | 0 | 0 | 111.9 | I115 | I115-E117 PolarHBondContact O-N 2.82Š|
| 118 | K | 77.5 | Confident | 90 | Very high | 96 Ų | 96 | 80.1 Ų | 80.1 | 42% | 0.417 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -92 | 137.2 | -171.7 | -51.4 | 171.7 | -157.7 | 169.8 | 0 | 109.5 | D112 K116 | D112-K118 VanDerWaalsContact C-NZ 3.29Å; D112-K118 VanDerWaalsContact CA-CE 3.44Å; D112-K118 VanDerWaalsContact O-CE 3.24Å; D112-K118 WeakPolarHBondContact O-CE 3.42Å; D112-K118 PolarHBondContact O-NZ 2.86Å; D112-K118 VanDerWaalsContact OD1-CD 3.26Å; D112-K118 WeakPolarHBondContact OD1-CD 3.5Å; D112-K118 WeakPolarHBondContact OD1-CE 3.25Å; D112-K118 IonicContact OD1-NZ 4Å; D112-K118 PolarHBondContact OD1-NZ 2.93Å; K116-K118 PolarHBondContact O-N 3.27Å |
| 119 | K | 79.4 | Confident | 89.8 | Confident | 176 Ų | 176 | 80 Ų | 80 | 77% | 0.765 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -72 | 139.2 | 164.2 | -64 | -177.8 | 179.4 | -179.8 | 0 | 109 | ||
| 120 | S | 82.3 | Confident | 89.5 | Confident | 115 Ų | 115 | 75.8 Ų | 75.8 | 80% | 0.804 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 138.6 | 169.7 | 46.9 | 0 | 0 | 0 | 0 | 109.9 | ||
| 121 | N | 88.3 | Confident | 88.8 | Confident | 62 Ų | 62 | 76.2 Ų | 76.2 | 33% | 0.332 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 146.2 | 174.5 | -66.1 | -3.9 | 0 | 0 | 0 | 110.1 | R123 D141 I142 | N121-R123 PolarHBondContact O-N 3.17Å; N121-D141 WeakPolarHBondContact CB-OD1 3.32Å; N121-D141 PolarHBondContact ND2-OD1 3.33Å; N121-I142 WeakPolarHBondContact CB-O 3.32Å |
| 122 | V | 92.5 | Very high | 88.1 | Confident | 52 Ų | 52 | 77.2 Ų | 77.2 | 32% | 0.315 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 123.6 | 173.5 | 179.3 | 0 | 0 | 0 | 0 | 108 | I124 I142 E203 | V122-I124 HydrophobicContact CG1-CD1 4.16Å; V122-I124 HydrophobicContact CG1-CG1 4.07Å; V122-I142 HydrophobicContact CB-CB 4.46Å; V122-I142 HydrophobicContact CB-CD1 4.18Å; V122-I142 HydrophobicContact CG1-CD1 4.17Å; V122-I142 PolarHBondContact O-N 3.5Å; V122-E203 HydrophobicContact CG1-CB 4.44Å; V122-E203 HydrophobicContact CG1-CG 4.32Å; V122-E203 HydrophobicContact CG2-CG 4.34Å |
| 123 | R | 94.1 | Very high | 87.7 | Confident | 165 Ų | 165 | 75.5 Ų | 75.5 | 62% | 0.623 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124.3 | 179.1 | -70.3 | -178.1 | 174.8 | 170.8 | 2.9 | 109.9 | N121 I139 L140 D141 | N121-R123 PolarHBondContact O-N 3.17Å; R123-I139 HydrophobicContact CB-CG2 3.88Å; R123-I139 HydrophobicContact CG-CG2 4.17Å; R123-L140 WeakPolarHBondContact CA-O 3.44Å; R123-D141 HydrophobicContact CG-CB 4.24Å; R123-D141 IonicContact CZ-OD2 2.66Å; R123-D141 IonicContact NE-OD2 3.66Å; R123-D141 PolarHBondContact NE-OD2 3.42Å; R123-D141 IonicContact NH2-OD2 2.78Å; R123-D141 PolarHBondContact NH2-OD2 3.36Å |
| 124 | I | 94.6 | Very high | 87.5 | Confident | 12 Ų | 12 | 71.9 Ų | 71.9 | 6% | 0.062 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 128.7 | -177.6 | -63.9 | 176.4 | 0 | 0 | 0 | 109 | V122 L140 I142 T194 L200 | V122-I124 HydrophobicContact CG1-CD1 4.16Å; V122-I124 HydrophobicContact CG1-CG1 4.07Å; I124-L140 PolarHBondContact N-O 2.87Å; I124-L140 PolarHBondContact O-N 2.95Å; I124-I142 HydrophobicContact CD1-CD1 4.06Å; I124-T194 WeakPolarHBondContact CG2-OG1 3.49Å; I124-L200 HydrophobicContact CB-CD1 4.45Å; I124-L200 HydrophobicContact CD1-CB 3.8Å; I124-L200 HydrophobicContact CD1-CD1 3.77Å; I124-L200 HydrophobicContact CD1-CG 4.4Å |
| 125 | H | 95.3 | Very high | 87.3 | Confident | 141 Ų | 141 | 74.9 Ų | 74.9 | 65% | 0.653 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 129.9 | 171.7 | -73.3 | -83.3 | 0 | 0 | 0 | 109.9 | T194 | H125-T194 PolarHBondContact O-OG1 2.92Å |
| 126 | A | 96.3 | Very high | 87.4 | Confident | 6 Ų | 6 | 74 Ų | 74 | 5% | 0.05 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 160.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V138 L140 F192 L193 | A126-V138 HydrophobicContact CB-CG2 4.14Å; A126-V138 PolarHBondContact N-O 3.4Å; A126-V138 CarbonylContact O-C 3.55Å; A126-V138 VanDerWaalsContact O-CG2 3.28Å; A126-V138 WeakPolarHBondContact O-CG2 3.48Å; A126-V138 PolarHBondContact O-N 3.49Å; A126-L140 HydrophobicContact CB-CD1 3.81Å; A126-L140 HydrophobicContact CB-CG 3.99Å; A126-F192 HydrophobicContact CB-CB 4.43Å; A126-L193 CarbonylContact C-O 3.23Å; A126-L193 WeakPolarHBondContact CA-O 3.26Å; A126-L193 WeakPolarHBondContact CB-O 3.4Å |
| 127 | T | 95.3 | Very high | 87.7 | Confident | 32 Ų | 32 | 75 Ų | 75 | 20% | 0.196 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 119.8 | 170.4 | -53.9 | 0 | 0 | 0 | 0 | 107.5 | T135 D137 F192 L193 | T127-T135 HydrophobicContact CG2-CG2 4.06Å; T127-T135 WeakPolarHBondContact CG2-OG1 2.98Å; T127-D137 PolarHBondContact OG1-OD1 3.01Å; T127-F192 CarbonylContact O-C 3.58Å; T127-F192 WeakPolarHBondContact O-CA 3.14Å; T127-L193 PolarHBondContact N-O 3.43Å; T127-L193 PolarHBondContact O-N 3.36Å |
| 128 | K | 94.1 | Very high | 88.4 | Confident | 15 Ų | 15 | 66.4 Ų | 66.4 | 7% | 0.065 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 130.8 | 176.6 | -179.9 | 166.2 | 170.5 | 178.4 | 0 | 108.7 | Y136 V138 Y161 F192 | K128-Y136 HydrophobicContact CB-CD2 4.38Å; K128-Y136 HydrophobicContact CB-CE1 4.46Å; K128-Y136 HydrophobicContact CB-CE2 3.98Å; K128-Y136 HydrophobicContact CD-CE2 4.18Å; K128-Y136 VanDerWaalsContact CD-OH 3.3Å; K128-Y136 WeakPolarHBondContact CD-OH 3.05Å; K128-Y136 WeakPolarHBondContact CE-OH 3.41Å; K128-Y136 HydrophobicContact CG-CE1 4.39Å; K128-Y136 HydrophobicContact CG-CE2 4.38Å; K128-Y136 PolarHBondContact N-O 3.23Å; K128-Y136 PolarHBondContact O-N 2.97Å; K128-Y136 VanDerWaalsContact O-N 3.11Å; K128-V138 HydrophobicContact CB-CG1 4.07Å; K128-V138 HydrophobicContact CB-CG2 4.1Å; K128-Y161 PolarHBondContact NZ-OH 3.5Å; K128-F192 HydrophobicContact CB-CD1 3.86Å; K128-F192 HydrophobicContact CB-CE1 3.74Å; K128-F192 HydrophobicContact CD-CE1 3.63Å; K128-F192 HydrophobicContact CD-CZ 3.89Å; K128-F192 HydrophobicContact CG-CD1 4.16Å; K128-F192 HydrophobicContact CG-CE1 3.76Å; K128-F192 HydrophobicContact CG-CZ 4.28Å |
| 129 | I | 90.4 | Very high | 89.3 | Confident | 12 Ų | 12 | 63.2 Ų | 63.2 | 6% | 0.062 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 123.8 | 168.8 | -54.9 | 170.7 | 0 | 0 | 0 | 107 | T135 I191 L193 R232 | I129-T135 HydrophobicContact CB-CG2 4.44Å; I129-T135 HydrophobicContact CG1-CG2 3.78Å; I129-I191 HydrophobicContact CD1-CG2 4.05Å; I129-I191 PolarHBondContact N-O 2.91Å; I129-L193 HydrophobicContact CD1-CD1 3.98Å; I129-L193 HydrophobicContact CD1-CD2 4.03Å; I129-L193 HydrophobicContact CD1-CG 3.87Å; I129-L193 HydrophobicContact CG1-CD1 4.3Å; I129-L193 HydrophobicContact CG1-CG 4.23Å; I129-R232 PolarHBondContact O-NH2 3.06Å |
| 130 | S | 85 | Confident | 90.1 | Very high | 14 Ų | 14 | 54.8 Ų | 54.8 | 10% | 0.098 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 172 | 178.8 | 94.4 | 0 | 0 | 0 | 0 | 111.2 | S132 E133 S134 R232 | S130-S132 PolarHBondContact O-N 3.19Å; S130-S132 PolarHBondContact OG-N 3.22Å; S130-S132 PolarHBondContact OG-OG 2.93Å; S130-S132 VanDerWaalsContact OG-OG 3.05Å; S130-E133 PolarHBondContact O-N 2.79Å; S130-E133 VanDerWaalsContact O-N 3.15Å; S130-S134 WeakPolarHBondContact CB-O 3.13Å; S130-S134 WeakPolarHBondContact CB-OG 3.43Å; S130-S134 PolarHBondContact N-O 3.41Å; S130-S134 PolarHBondContact OG-N 3.46Å; S130-S134 PolarHBondContact OG-O 3.16Å; S130-S134 PolarHBondContact OG-OG 3.26Å; S130-R232 PolarHBondContact O-NH1 3.5Å; S130-R232 PolarHBondContact O-NH2 3.23Å |
| 131 | W | 76.3 | Confident | 90.7 | Very high | 42 Ų | 42 | 49.5 Ų | 49.5 | 16% | 0.159 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -25.9 | 174.8 | -55.8 | 109 | 0 | 0 | 0 | 113 | E133 H190 R232 L233 R285 | W131-E133 PolarHBondContact O-N 2.87Å; W131-H190 AromaticContact CZ2-CE1 3.76Å; W131-R232 HydrophobicContact CE3-CB 4.38Å; W131-R232 HydrophobicContact CE3-CG 3.86Å; W131-R232 HydrophobicContact CH2-CG 4.24Å; W131-R232 WeakPolarHBondContact CH2-O 3.26Å; W131-R232 HydrophobicContact CZ3-CB 3.81Å; W131-R232 HydrophobicContact CZ3-CG 3.36Å; W131-R232 WeakPolarHBondContact CZ3-O 3.39Å; W131-L233 HydrophobicContact CE3-CD2 4.02Å; W131-L233 HydrophobicContact CH2-CD2 4.18Å; W131-L233 HydrophobicContact CZ3-CD2 3.68Å; W131-L233 HydrophobicContact CZ3-CG 4.26Å; W131-R285 PolarHBondContact O-NH1 3.34Å; W131-R285 PolarHBondContact O-NH2 3.28Å |
| 132 | S | 75.1 | Confident | 91.1 | Very high | 76 Ų | 76 | 46.9 Ų | 46.9 | 53% | 0.531 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 15.2 | 177.4 | 74.2 | 0 | 0 | 0 | 0 | 112.5 | S130 S134 | S130-S132 PolarHBondContact O-N 3.19Å; S130-S132 PolarHBondContact OG-N 3.22Å; S130-S132 PolarHBondContact OG-OG 2.93Å; S130-S132 VanDerWaalsContact OG-OG 3.05Å; S132-S134 PolarHBondContact O-N 3.41Å; S132-S134 WeakPolarHBondContact OG-CB 3.35Å; S132-S134 PolarHBondContact OG-OG 3.31Å |
| 133 | E | 81.7 | Confident | 91.1 | Very high | 75 Ų | 75 | 44.5 Ų | 44.5 | 35% | 0.35 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 59.2 | 6.4 | -169.9 | -58.4 | -57 | 124.1 | 0 | 0 | 114.4 | S130 W131 R225 R232 | S130-E133 PolarHBondContact O-N 2.79Å; S130-E133 VanDerWaalsContact O-N 3.15Å; W131-E133 PolarHBondContact O-N 2.87Å; E133-R225 IonicContact OE1-NH2 3.72Å; E133-R225 IonicContact OE2-CZ 2.69Å; E133-R225 IonicContact OE2-NH2 3.31Å; E133-R225 PolarHBondContact OE2-NH2 3.35Å; E133-R232 IonicContact OE1-NH1 3.71Å; E133-R232 PolarHBondContact OE1-NH1 3.48Å |
| 134 | S | 87 | Confident | 91 | Very high | 57 Ų | 57 | 37.6 Ų | 37.6 | 40% | 0.399 | 20% | 0.203 | S | C | . | . | trans | -73 | 148.6 | 171.2 | 67.2 | 0 | 0 | 0 | 0 | 110.1 | S130 S132 | S130-S134 WeakPolarHBondContact CB-O 3.13Å; S130-S134 WeakPolarHBondContact CB-OG 3.43Å; S130-S134 PolarHBondContact N-O 3.41Å; S130-S134 PolarHBondContact OG-N 3.46Å; S130-S134 PolarHBondContact OG-O 3.16Å; S130-S134 PolarHBondContact OG-OG 3.26Å; S132-S134 PolarHBondContact O-N 3.41Å; S132-S134 WeakPolarHBondContact OG-CB 3.35Å; S132-S134 PolarHBondContact OG-OG 3.31Å | ||
| 135 | T | 90.6 | Very high | 90.9 | Very high | 83 Ų | 83 | 37.3 Ų | 37.3 | 51% | 0.509 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 133.5 | -168 | 135.9 | 0 | 0 | 0 | 0 | 108.5 | T127 I129 | T127-T135 HydrophobicContact CG2-CG2 4.06Å; T127-T135 WeakPolarHBondContact CG2-OG1 2.98Å; I129-T135 HydrophobicContact CB-CG2 4.44Å; I129-T135 HydrophobicContact CG1-CG2 3.78Å |
| 136 | Y | 91 | Very high | 90.9 | Very high | 62 Ų | 62 | 30.9 Ų | 30.9 | 24% | 0.243 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 142.2 | 177 | 60.2 | -92.3 | 0 | 0 | 0 | 111.6 | K128 V138 W158 | K128-Y136 HydrophobicContact CB-CD2 4.38Å; K128-Y136 HydrophobicContact CB-CE1 4.46Å; K128-Y136 HydrophobicContact CB-CE2 3.98Å; K128-Y136 HydrophobicContact CD-CE2 4.18Å; K128-Y136 VanDerWaalsContact CD-OH 3.3Å; K128-Y136 WeakPolarHBondContact CD-OH 3.05Å; K128-Y136 WeakPolarHBondContact CE-OH 3.41Å; K128-Y136 HydrophobicContact CG-CE1 4.39Å; K128-Y136 HydrophobicContact CG-CE2 4.38Å; K128-Y136 PolarHBondContact N-O 3.23Å; K128-Y136 PolarHBondContact O-N 2.97Å; K128-Y136 VanDerWaalsContact O-N 3.11Å; Y136-V138 HydrophobicContact CD2-CG1 3.7Å; Y136-V138 HydrophobicContact CE2-CG1 3.61Å; Y136-W158 HydrophobicContact CD2-CE3 4.38Å; Y136-W158 HydrophobicContact CD2-CH2 4.35Å; Y136-W158 AromaticContact CD2-CZ3 3.63Å; Y136-W158 HydrophobicContact CD2-CZ3 3.63Å; Y136-W158 AromaticContact CE2-CE3 3.94Å; Y136-W158 HydrophobicContact CE2-CE3 3.94Å; Y136-W158 AromaticContact CE2-CZ3 3.66Å; Y136-W158 HydrophobicContact CE2-CZ3 3.66Å |
| 137 | D | 95.1 | Very high | 90.9 | Very high | 100 Ų | 100 | 30.6 Ų | 30.6 | 54% | 0.535 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 140.7 | -176.4 | -64.8 | -30.8 | 0 | 0 | 0 | 111.9 | T127 P152 | T127-D137 PolarHBondContact OG1-OD1 3.01Å; D137-P152 HydrophobicContact CB-CG 4.13Å; D137-P152 WeakPolarHBondContact O-CD 3.18Å |
| 138 | V | 95 | Very high | 90.9 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 157.7 | -178.7 | -63.3 | 0 | 0 | 0 | 0 | 110.4 | A126 K128 Y136 L140 V149 W158 F192 | A126-V138 HydrophobicContact CB-CG2 4.14Å; A126-V138 PolarHBondContact N-O 3.4Å; A126-V138 CarbonylContact O-C 3.55Å; A126-V138 VanDerWaalsContact O-CG2 3.28Å; A126-V138 WeakPolarHBondContact O-CG2 3.48Å; A126-V138 PolarHBondContact O-N 3.49Å; K128-V138 HydrophobicContact CB-CG1 4.07Å; K128-V138 HydrophobicContact CB-CG2 4.1Å; Y136-V138 HydrophobicContact CD2-CG1 3.7Å; Y136-V138 HydrophobicContact CE2-CG1 3.61Å; V138-L140 HydrophobicContact CG2-CD2 4.21Å; V138-V149 HydrophobicContact CB-CG1 3.71Å; V138-V149 HydrophobicContact CG1-CG1 3.58Å; V138-V149 HydrophobicContact CG2-CG1 4.14Å; V138-W158 HydrophobicContact CG1-CE3 4.05Å; V138-W158 HydrophobicContact CG1-CZ3 3.88Å; V138-F192 HydrophobicContact CG2-CD1 4.13Å; V138-F192 HydrophobicContact CG2-CE1 4.17Å |
| 139 | I | 96.4 | Very high | 91 | Very high | 29 Ų | 29 | 29.4 Ų | 29.4 | 15% | 0.149 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.6 | 163.9 | -62.7 | 176.2 | 0 | 0 | 0 | 107.2 | R123 R150 P152 | R123-I139 HydrophobicContact CB-CG2 3.88Å; R123-I139 HydrophobicContact CG-CG2 4.17Å; I139-R150 PolarHBondContact N-O 3.19Å; I139-R150 PolarHBondContact O-N 3.32Å; I139-P152 HydrophobicContact CD1-CB 4.13Å; I139-P152 HydrophobicContact CG1-CB 4.03Å |
| 140 | L | 96.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 107.6 | 169.8 | -59.3 | -178.8 | 0 | 0 | 0 | 108 | R123 I124 A126 V138 I147 V149 F192 L200 | R123-L140 WeakPolarHBondContact CA-O 3.44Å; I124-L140 PolarHBondContact N-O 2.87Å; I124-L140 PolarHBondContact O-N 2.95Å; A126-L140 HydrophobicContact CB-CD1 3.81Å; A126-L140 HydrophobicContact CB-CG 3.99Å; V138-L140 HydrophobicContact CG2-CD2 4.21Å; L140-I147 HydrophobicContact CB-CG2 4.41Å; L140-I147 HydrophobicContact CD2-CG2 4.33Å; L140-V149 HydrophobicContact CD2-CG1 4.47Å; L140-V149 HydrophobicContact CD2-CG2 3.9Å; L140-F192 HydrophobicContact CD1-CB 4.45Å; L140-F192 HydrophobicContact CD1-CD1 4.18Å; L140-F192 HydrophobicContact CD1-CG 4.26Å; L140-F192 HydrophobicContact CD2-CD1 3.92Å; L140-F192 HydrophobicContact CD2-CE1 3.67Å; L140-F192 HydrophobicContact CD2-CZ 4.22Å; L140-F192 HydrophobicContact CG-CD1 4.49Å; L140-L200 HydrophobicContact CD1-CD1 4.01Å; L140-L200 HydrophobicContact CD1-CD2 3.74Å |
| 141 | D | 95.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 107.2 | 177.9 | -168.3 | -26.3 | 0 | 0 | 0 | 108.4 | N121 R123 G143 D148 R150 | N121-D141 WeakPolarHBondContact CB-OD1 3.32Å; N121-D141 PolarHBondContact ND2-OD1 3.33Å; R123-D141 HydrophobicContact CG-CB 4.24Å; R123-D141 IonicContact CZ-OD2 2.66Å; R123-D141 IonicContact NE-OD2 3.66Å; R123-D141 PolarHBondContact NE-OD2 3.42Å; R123-D141 IonicContact NH2-OD2 2.78Å; R123-D141 PolarHBondContact NH2-OD2 3.36Å; D141-G143 PolarHBondContact O-N 2.82Å; D141-D148 HydrophobicContact CB-CB 4.1Å; D141-D148 PolarHBondContact N-O 3.22Å; D141-D148 PolarHBondContact O-N 2.98Å; D141-R150 IonicContact OD2-NE 2.8Å |
| 142 | I | 95.5 | Very high | 92 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 4% | 0.036 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 97.3 | -175.9 | -54.5 | 167.8 | 0 | 0 | 0 | 108.1 | N121 V122 I124 F163 L200 E203 I204 | N121-I142 WeakPolarHBondContact CB-O 3.32Å; V122-I142 HydrophobicContact CB-CB 4.46Å; V122-I142 HydrophobicContact CB-CD1 4.18Å; V122-I142 HydrophobicContact CG1-CD1 4.17Å; V122-I142 PolarHBondContact O-N 3.5Å; I124-I142 HydrophobicContact CD1-CD1 4.06Å; I142-F163 HydrophobicContact CG2-CZ 4.31Å; I142-L200 HydrophobicContact CD1-CD1 3.93Å; I142-L200 HydrophobicContact CG1-CD1 4.44Å; I142-E203 HydrophobicContact CD1-CB 3.86Å; I142-I204 HydrophobicContact CD1-CG1 3.91Å; I142-I204 HydrophobicContact CG1-CG1 4.04Å; I142-I204 HydrophobicContact CG2-CG1 4.17Å |
| 143 | G | 92.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | trans | -81.4 | -179.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D141 I145 S146 F163 S207 | D141-G143 PolarHBondContact O-N 2.82Å; G143-I145 VanDerWaalsContact C-N 3.31Å; G143-S146 WeakPolarHBondContact CA-O 3.28Å; G143-S146 PolarHBondContact N-O 3.26Å; G143-F163 WeakPolarHBondContact O-CE2 3.37Å; G143-S207 PolarHBondContact O-OG 2.94Å | ||
| 144 | P | 91.5 | Very high | 92.8 | Very high | 19 Ų | 19 | 40.9 Ų | 40.9 | 12% | 0.123 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -71.4 | -24.7 | 176.9 | 28.8 | -35 | 0 | 0 | 0 | 113.4 | F163 N211 | P144-F163 WeakPolarHBondContact O-CE2 3.32Å; P144-N211 HydrophobicContact CB-CB 4.24Å; P144-N211 WeakPolarHBondContact O-CB 3.31Å |
| 145 | I | 93.9 | Very high | 92.7 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -124.1 | -12.5 | -173.7 | 58 | 176.4 | 0 | 0 | 0 | 114.2 | T105 L108 H109 G143 F163 L212 | T105-I145 HydrophobicContact CG2-CB 4.47Å; T105-I145 HydrophobicContact CG2-CD1 4.42Å; T105-I145 WeakPolarHBondContact O-CD1 3.33Å; L108-I145 HydrophobicContact CB-CG2 3.48Å; L108-I145 VanDerWaalsContact CB-CG2 3.48Å; L108-I145 HydrophobicContact CD1-CG2 3.67Å; L108-I145 HydrophobicContact CG-CG2 4.22Å; H109-I145 HydrophobicContact CB-CD1 4.49Å; H109-I145 VanDerWaalsContact CE1-CD1 3.42Å; H109-I145 WeakPolarHBondContact CE1-CD1 3.47Å; H109-I145 WeakPolarHBondContact ND1-CD1 3.37Å; G143-I145 VanDerWaalsContact C-N 3.31Å; I145-F163 WeakPolarHBondContact O-CD2 3.34Å; I145-F163 WeakPolarHBondContact O-CG 3.3Å; I145-F163 PolarHBondContact O-N 3.34Å; I145-L212 HydrophobicContact CB-CD1 4.46Å; I145-L212 HydrophobicContact CG2-CD1 4.37Å; I145-L212 HydrophobicContact CG2-CD2 4.24Å |
| 146 | S | 95.3 | Very high | 92.5 | Very high | 7 Ų | 7 | 38.8 Ų | 38.8 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 165.6 | -169.1 | 65.1 | 0 | 0 | 0 | 0 | 112.6 | G143 D148 T160 Y161 D162 | G143-S146 WeakPolarHBondContact CA-O 3.28Å; G143-S146 PolarHBondContact N-O 3.26Å; S146-D148 PolarHBondContact OG-OD1 3.44Å; S146-T160 VanDerWaalsContact CB-CG2 3.42Å; S146-Y161 CarbonylContact C-O 3.53Å; S146-Y161 WeakPolarHBondContact CA-O 3.47Å; S146-Y161 WeakPolarHBondContact CB-O 3.41Å; S146-D162 WeakPolarHBondContact CB-OD1 3.35Å |
| 147 | I | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 111.9 | 165.5 | -49.4 | 169.7 | 0 | 0 | 0 | 107.4 | L140 Y161 F163 I166 I169 I181 I204 | L140-I147 HydrophobicContact CB-CG2 4.41Å; L140-I147 HydrophobicContact CD2-CG2 4.33Å; I147-Y161 HydrophobicContact CB-CD2 4.35Å; I147-Y161 PolarHBondContact N-O 3.32Å; I147-Y161 PolarHBondContact O-N 3.41Å; I147-F163 HydrophobicContact CD1-CE1 4.32Å; I147-F163 HydrophobicContact CG1-CD1 4.33Å; I147-F163 HydrophobicContact CG1-CE1 3.62Å; I147-I166 HydrophobicContact CD1-CD1 3.7Å; I147-I166 HydrophobicContact CG1-CD1 4.3Å; I147-I169 HydrophobicContact CD1-CD1 4.19Å; I147-I181 HydrophobicContact CD1-CD1 3.75Å; I147-I204 HydrophobicContact CD1-CD1 3.6Å; I147-I204 HydrophobicContact CD1-CG1 4.04Å; I147-I204 HydrophobicContact CD1-CG2 4.15Å; I147-I204 HydrophobicContact CG1-CD1 4.29Å; I147-I204 HydrophobicContact CG1-CG1 4.27Å |
| 148 | D | 95 | Very high | 91.9 | Very high | 21 Ų | 21 | 37.6 Ų | 37.6 | 11% | 0.112 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 121.9 | 178.1 | -82.7 | -4.7 | 0 | 0 | 0 | 110.2 | D141 S146 R150 L157 T160 | D141-D148 HydrophobicContact CB-CB 4.1Å; D141-D148 PolarHBondContact N-O 3.22Å; D141-D148 PolarHBondContact O-N 2.98Å; S146-D148 PolarHBondContact OG-OD1 3.44Å; D148-R150 IonicContact OD2-CZ 3.11Å; D148-R150 IonicContact OD2-NE 3.19Å; D148-R150 IonicContact OD2-NH2 3.92Å; D148-R150 PolarHBondContact OD2-NH2 3.02Å; D148-L157 HydrophobicContact CB-CD1 3.6Å; D148-T160 WeakPolarHBondContact OD1-CB 3.47Å; D148-T160 VanDerWaalsContact OD1-CG2 3.26Å; D148-T160 WeakPolarHBondContact OD1-CG2 3.39Å; D148-T160 PolarHBondContact OD1-OG1 3.35Å |
| 149 | V | 94.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 112.5 | 173.8 | -172.5 | 0 | 0 | 0 | 0 | 108.7 | V138 L140 W158 K159 Y161 F192 | V138-V149 HydrophobicContact CB-CG1 3.71Å; V138-V149 HydrophobicContact CG1-CG1 3.58Å; V138-V149 HydrophobicContact CG2-CG1 4.14Å; L140-V149 HydrophobicContact CD2-CG1 4.47Å; L140-V149 HydrophobicContact CD2-CG2 3.9Å; V149-W158 PolarHBondContact O-N 2.82Å; V149-K159 HydrophobicContact CB-CB 4.25Å; V149-K159 HydrophobicContact CG2-CB 4.31Å; V149-K159 PolarHBondContact N-O 2.73Å; V149-K159 PolarHBondContact O-N 2.96Å; V149-Y161 HydrophobicContact CG2-CD2 4.05Å; V149-Y161 HydrophobicContact CG2-CE2 3.44Å; V149-Y161 VanDerWaalsContact CG2-CE2 3.44Å; V149-F192 HydrophobicContact CG2-CE1 4.27Å; V149-F192 HydrophobicContact CG2-CZ 4.13Å |
| 150 | R | 93 | Very high | 91.4 | Very high | 64 Ų | 64 | 42.2 Ų | 42.2 | 24% | 0.242 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 148 | -177.1 | -62.9 | -179.9 | -180 | -83.5 | -9 | 112.4 | I139 D141 D148 G155 E156 L157 | I139-R150 PolarHBondContact N-O 3.19Å; I139-R150 PolarHBondContact O-N 3.32Å; D141-R150 IonicContact OD2-NE 2.8Å; D148-R150 IonicContact OD2-CZ 3.11Å; D148-R150 IonicContact OD2-NE 3.19Å; D148-R150 IonicContact OD2-NH2 3.92Å; D148-R150 PolarHBondContact OD2-NH2 3.02Å; R150-G155 PolarHBondContact NH1-O 3.16Å; R150-E156 CarbonylContact C-O 3.55Å; R150-E156 WeakPolarHBondContact CA-O 3.43Å; R150-L157 HydrophobicContact CG-CD1 4.24Å |
| 151 | N | 89.7 | Confident | 91.3 | Very high | 25 Ų | 25 | 42.2 Ų | 42.2 | 13% | 0.134 | 21% | 0.211 | C | C | . | . | trans | -65.5 | 126.6 | 170.3 | -177 | -34.9 | 0 | 0 | 0 | 109.4 | R153 T154 G155 E156 W158 | N151-R153 VanDerWaalsContact C-N 3.27Å; N151-R153 PolarHBondContact O-N 2.74Å; N151-R153 PolarHBondContact OD1-N 3.47Å; N151-T154 VanDerWaalsContact CB-OG1 3.26Å; N151-T154 WeakPolarHBondContact CB-OG1 3.42Å; N151-T154 PolarHBondContact ND2-OG1 2.88Å; N151-T154 PolarHBondContact OD1-N 3.29Å; N151-G155 VanDerWaalsContact O-CA 3.25Å; N151-G155 WeakPolarHBondContact O-CA 3.27Å; N151-G155 PolarHBondContact O-N 2.73Å; N151-E156 HydrophobicContact CB-CB 4.26Å; N151-E156 PolarHBondContact N-O 3.15Å; N151-W158 HydrophobicContact CB-CD2 4.19Å; N151-W158 HydrophobicContact CB-CH2 3.95Å; N151-W158 HydrophobicContact CB-CZ2 3.59Å; N151-W158 HydrophobicContact CB-CZ3 4.37Å; N151-W158 WeakPolarHBondContact ND2-CZ2 3.48Å | ||
| 152 | P | 90.5 | Very high | 91.2 | Very high | 48 Ų | 48 | 43.4 Ų | 43.4 | 31% | 0.312 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -26.9 | -176.9 | 26 | -33.9 | 0 | 0 | 0 | 113.6 | D137 I139 | D137-P152 HydrophobicContact CB-CG 4.13Å; D137-P152 WeakPolarHBondContact O-CD 3.18Å; I139-P152 HydrophobicContact CD1-CB 4.13Å; I139-P152 HydrophobicContact CG1-CB 4.03Å |
| 153 | R | 88.6 | Confident | 91.3 | Very high | 237 Ų | 237 | 43.1 Ų | 43.1 | 89% | 0.894 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -45 | -177.8 | -62 | -176 | -175.1 | 177.8 | 1.7 | 112.5 | N151 | N151-R153 VanDerWaalsContact C-N 3.27Å; N151-R153 PolarHBondContact O-N 2.74Å; N151-R153 PolarHBondContact OD1-N 3.47Å |
| 154 | T | 85.4 | Confident | 91.2 | Very high | 86 Ų | 86 | 46.2 Ų | 46.2 | 53% | 0.528 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -16.2 | -174.4 | 64.1 | 0 | 0 | 0 | 0 | 113.6 | N151 E156 | N151-T154 VanDerWaalsContact CB-OG1 3.26Å; N151-T154 WeakPolarHBondContact CB-OG1 3.42Å; N151-T154 PolarHBondContact ND2-OG1 2.88Å; N151-T154 PolarHBondContact OD1-N 3.29Å; T154-E156 PolarHBondContact O-N 2.76Å; T154-E156 VanDerWaalsContact OG1-CB 3.3Å; T154-E156 WeakPolarHBondContact OG1-CB 3.33Å; T154-E156 PolarHBondContact OG1-N 2.97Å |
| 155 | G | 85.7 | Confident | 91.2 | Very high | 40 Ų | 40 | 46.3 Ų | 46.3 | 41% | 0.412 | 23% | 0.228 | S | C | . | . | trans | 73 | 1.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R150 N151 | R150-G155 PolarHBondContact NH1-O 3.16Å; N151-G155 VanDerWaalsContact O-CA 3.25Å; N151-G155 WeakPolarHBondContact O-CA 3.27Å; N151-G155 PolarHBondContact O-N 2.73Å | ||
| 156 | E | 86.2 | Confident | 91.2 | Very high | 56 Ų | 56 | 46.6 Ų | 46.6 | 26% | 0.262 | 23% | 0.229 | S | C | . | . | trans | -63 | 136.8 | -177.5 | -175.3 | -178.7 | -162.9 | 0 | 0 | 111.9 | R150 N151 T154 W158 | R150-E156 CarbonylContact C-O 3.55Å; R150-E156 WeakPolarHBondContact CA-O 3.43Å; N151-E156 HydrophobicContact CB-CB 4.26Å; N151-E156 PolarHBondContact N-O 3.15Å; T154-E156 PolarHBondContact O-N 2.76Å; T154-E156 VanDerWaalsContact OG1-CB 3.3Å; T154-E156 WeakPolarHBondContact OG1-CB 3.33Å; T154-E156 PolarHBondContact OG1-N 2.97Å; E156-W158 PolarHBondContact O-N 3Å | ||
| 157 | L | 87.5 | Confident | 91 | Very high | 71 Ų | 71 | 49 Ų | 49 | 37% | 0.372 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 116.3 | 176.7 | 179.6 | 65 | 0 | 0 | 0 | 110.6 | D148 R150 | D148-L157 HydrophobicContact CB-CD1 3.6Å; R150-L157 HydrophobicContact CG-CD1 4.24Å |
| 158 | W | 86.2 | Confident | 90.7 | Very high | 66 Ų | 66 | 49.5 Ų | 49.5 | 25% | 0.25 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -34 | 179.2 | -73.6 | -18.7 | 0 | 0 | 0 | 113.9 | Y136 V138 V149 N151 E156 | Y136-W158 HydrophobicContact CD2-CE3 4.38Å; Y136-W158 HydrophobicContact CD2-CH2 4.35Å; Y136-W158 AromaticContact CD2-CZ3 3.63Å; Y136-W158 HydrophobicContact CD2-CZ3 3.63Å; Y136-W158 AromaticContact CE2-CE3 3.94Å; Y136-W158 HydrophobicContact CE2-CE3 3.94Å; Y136-W158 AromaticContact CE2-CZ3 3.66Å; Y136-W158 HydrophobicContact CE2-CZ3 3.66Å; V138-W158 HydrophobicContact CG1-CE3 4.05Å; V138-W158 HydrophobicContact CG1-CZ3 3.88Å; V149-W158 PolarHBondContact O-N 2.82Å; N151-W158 HydrophobicContact CB-CD2 4.19Å; N151-W158 HydrophobicContact CB-CH2 3.95Å; N151-W158 HydrophobicContact CB-CZ2 3.59Å; N151-W158 HydrophobicContact CB-CZ3 4.37Å; N151-W158 WeakPolarHBondContact ND2-CZ2 3.48Å; E156-W158 PolarHBondContact O-N 3Å |
| 159 | K | 88.7 | Confident | 90.6 | Very high | 87 Ų | 87 | 49 Ų | 49 | 38% | 0.378 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 143 | -179.7 | -174.8 | 62.3 | 178.7 | 174.6 | 0 | 110.1 | V149 Y161 | V149-K159 HydrophobicContact CB-CB 4.25Å; V149-K159 HydrophobicContact CG2-CB 4.31Å; V149-K159 PolarHBondContact N-O 2.73Å; V149-K159 PolarHBondContact O-N 2.96Å; K159-Y161 HydrophobicContact CD-CE1 4.46Å; K159-Y161 HydrophobicContact CG-CD1 4.31Å; K159-Y161 HydrophobicContact CG-CE1 3.74Å; K159-Y161 HydrophobicContact CG-CE2 4.1Å |
| 160 | T | 92.3 | Very high | 90.5 | Very high | 40 Ų | 40 | 50.1 Ų | 50.1 | 25% | 0.245 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 137.1 | 170.2 | -63.4 | 0 | 0 | 0 | 0 | 108.5 | S146 D148 D162 | S146-T160 VanDerWaalsContact CB-CG2 3.42Å; D148-T160 WeakPolarHBondContact OD1-CB 3.47Å; D148-T160 VanDerWaalsContact OD1-CG2 3.26Å; D148-T160 WeakPolarHBondContact OD1-CG2 3.39Å; D148-T160 PolarHBondContact OD1-OG1 3.35Å; T160-D162 VanDerWaalsContact CG2-OD1 3.3Å; T160-D162 WeakPolarHBondContact CG2-OD1 3.2Å |
| 161 | Y | 93.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 102.5 | 169.5 | -53.7 | -74.9 | 0 | 0 | 0 | 108.2 | K128 S146 I147 V149 K159 H183 H190 F192 | K128-Y161 PolarHBondContact NZ-OH 3.5Å; S146-Y161 CarbonylContact C-O 3.53Å; S146-Y161 WeakPolarHBondContact CA-O 3.47Å; S146-Y161 WeakPolarHBondContact CB-O 3.41Å; I147-Y161 HydrophobicContact CB-CD2 4.35Å; I147-Y161 PolarHBondContact N-O 3.32Å; I147-Y161 PolarHBondContact O-N 3.41Å; V149-Y161 HydrophobicContact CG2-CD2 4.05Å; V149-Y161 HydrophobicContact CG2-CE2 3.44Å; V149-Y161 VanDerWaalsContact CG2-CE2 3.44Å; K159-Y161 HydrophobicContact CD-CE1 4.46Å; K159-Y161 HydrophobicContact CG-CD1 4.31Å; K159-Y161 HydrophobicContact CG-CE1 3.74Å; K159-Y161 HydrophobicContact CG-CE2 4.1Å; Y161-H183 HydrophobicContact CD1-CB 4.42Å; Y161-H183 AromaticContact CD1-CD2 3.99Å; Y161-H183 AromaticContact CD1-CG 3.93Å; Y161-H190 AromaticContact CE1-CD2 3.36Å; Y161-H190 WeakPolarHBondContact CE1-CD2 3.3Å; Y161-H190 AromaticContact CE1-CG 3.88Å; Y161-H190 AromaticContact CE1-NE2 3.5Å; Y161-H190 WeakPolarHBondContact CE1-NE2 3.34Å; Y161-H190 AromaticContact CZ-CD2 3.86Å; Y161-H190 AromaticContact CZ-CG 3.9Å; Y161-F192 HydrophobicContact CE2-CE2 4.31Å; Y161-F192 AromaticContact CE2-CZ 3.88Å; Y161-F192 HydrophobicContact CE2-CZ 3.88Å |
| 162 | D | 93.9 | Very high | 90.7 | Very high | 28 Ų | 28 | 50.4 Ų | 50.4 | 15% | 0.15 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 136 | 178.9 | -66.6 | -20 | 0 | 0 | 0 | 109.7 | T105 S146 T160 K164 D165 I166 | T105-D162 HydrophobicContact CG2-CB 4.48Å; S146-D162 WeakPolarHBondContact CB-OD1 3.35Å; T160-D162 VanDerWaalsContact CG2-OD1 3.3Å; T160-D162 WeakPolarHBondContact CG2-OD1 3.2Å; D162-K164 HydrophobicContact CB-CG 3.94Å; D162-K164 PolarHBondContact O-N 2.9Å; D162-K164 VanDerWaalsContact O-N 3.09Å; D162-D165 PolarHBondContact O-N 2.54Å; D162-I166 PolarHBondContact O-N 2.98Å |
| 163 | F | 95.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -57.8 | -27.4 | 179.4 | -64.7 | -35.3 | 0 | 0 | 0 | 112.6 | I142 G143 P144 I145 I147 D165 I166 I204 A208 L212 F216 | I142-F163 HydrophobicContact CG2-CZ 4.31Å; G143-F163 WeakPolarHBondContact O-CE2 3.37Å; P144-F163 WeakPolarHBondContact O-CE2 3.32Å; I145-F163 WeakPolarHBondContact O-CD2 3.34Å; I145-F163 WeakPolarHBondContact O-CG 3.3Å; I145-F163 PolarHBondContact O-N 3.34Å; I147-F163 HydrophobicContact CD1-CE1 4.32Å; I147-F163 HydrophobicContact CG1-CD1 4.33Å; I147-F163 HydrophobicContact CG1-CE1 3.62Å; F163-D165 PolarHBondContact O-N 2.84Å; F163-I166 HydrophobicContact CD1-CD1 4.08Å; F163-I166 PolarHBondContact O-N 3.21Å; F163-I204 HydrophobicContact CD1-CG2 4.43Å; F163-I204 HydrophobicContact CE1-CG2 3.77Å; F163-I204 HydrophobicContact CZ-CG2 4.46Å; F163-A208 HydrophobicContact CB-CB 4.27Å; F163-A208 HydrophobicContact CD1-CB 4.2Å; F163-A208 HydrophobicContact CD2-CB 3.71Å; F163-A208 HydrophobicContact CE1-CB 4.47Å; F163-A208 HydrophobicContact CE2-CB 4.02Å; F163-A208 HydrophobicContact CG-CB 3.82Å; F163-A208 HydrophobicContact CZ-CB 4.41Å; F163-L212 HydrophobicContact CB-CD1 3.95Å; F163-L212 HydrophobicContact CD2-CD1 4.15Å; F163-F216 HydrophobicContact CB-CE1 4.47Å; F163-F216 HydrophobicContact CB-CZ 4.01Å; F163-F216 HydrophobicContact CD1-CE2 4.48Å; F163-F216 AromaticContact CD1-CZ 3.81Å; F163-F216 HydrophobicContact CD1-CZ 3.81Å; F163-F216 HydrophobicContact CG-CZ 4.13Å |
| 164 | K | 91.9 | Very high | 90.7 | Very high | 68 Ų | 68 | 48 Ų | 48 | 30% | 0.296 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -64.1 | -26 | 176.3 | 74.1 | 179.4 | 177.1 | -180 | 0 | 113.4 | V101 T105 D162 | V101-K164 HydrophobicContact CG1-CB 3.69Å; T105-K164 HydrophobicContact CG2-CD 3.98Å; D162-K164 HydrophobicContact CB-CG 3.94Å; D162-K164 PolarHBondContact O-N 2.9Å; D162-K164 VanDerWaalsContact O-N 3.09Å |
| 165 | D | 91.7 | Very high | 90.8 | Very high | 20 Ų | 20 | 45.7 Ų | 45.7 | 11% | 0.107 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -106.6 | 1.3 | -175 | -67 | -50.3 | 0 | 0 | 0 | 112.6 | D162 F163 H183 G184 | D162-D165 PolarHBondContact O-N 2.54Å; F163-D165 PolarHBondContact O-N 2.84Å; D165-H183 WeakPolarHBondContact O-CA 3.44Å; D165-H183 PolarHBondContact O-CD2 2.98Å; D165-G184 PolarHBondContact O-N 3.21Å |
| 166 | I | 93.9 | Very high | 90.6 | Very high | 12 Ų | 12 | 49 Ų | 49 | 6% | 0.062 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 123.6 | 175.3 | -64.8 | 175.9 | 0 | 0 | 0 | 109.5 | I147 D162 F163 I169 I181 F216 | I147-I166 HydrophobicContact CD1-CD1 3.7Å; I147-I166 HydrophobicContact CG1-CD1 4.3Å; D162-I166 PolarHBondContact O-N 2.98Å; F163-I166 HydrophobicContact CD1-CD1 4.08Å; F163-I166 PolarHBondContact O-N 3.21Å; I166-I169 HydrophobicContact CD1-CD1 4.27Å; I166-I169 HydrophobicContact CG2-CD1 3.93Å; I166-I169 HydrophobicContact CG2-CG1 3.54Å; I166-I181 HydrophobicContact CD1-CG2 4.17Å; I166-I181 HydrophobicContact CG1-CG2 4.18Å; I166-I181 HydrophobicContact CG2-CG2 4.24Å; I166-F216 HydrophobicContact CB-CD1 4.12Å; I166-F216 HydrophobicContact CB-CE1 3.67Å; I166-F216 HydrophobicContact CB-CZ 4.36Å; I166-F216 HydrophobicContact CG2-CD1 3.73Å; I166-F216 HydrophobicContact CG2-CE1 3.72Å; I166-F216 HydrophobicContact CG2-CG 4.38Å; I166-F216 HydrophobicContact CG2-CZ 4.36Å |
| 167 | E | 90.6 | Very high | 90.9 | Very high | 58 Ų | 58 | 49.7 Ų | 49.7 | 27% | 0.271 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | -45.9 | 178.6 | -64.8 | 169.7 | -135.1 | 0 | 0 | 111.5 | I182 G185 F186 G187 | E167-I182 HydrophobicContact CB-CB 4.41Å; E167-I182 HydrophobicContact CB-CG2 4.12Å; E167-I182 PolarHBondContact N-O 3.4Å; E167-G185 WeakPolarHBondContact OE1-CA 3.43Å; E167-G185 PolarHBondContact OE1-N 3.25Å; E167-F186 PolarHBondContact OE1-N 2.64Å; E167-G187 PolarHBondContact OE1-N 2.91Å |
| 168 | C | 90.9 | Very high | 91.1 | Very high | 10 Ų | 10 | 46.4 Ų | 46.4 | 7% | 0.068 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 144.2 | -172.5 | 167.8 | 0 | 0 | 0 | 0 | 110.8 | I182 N217 | C168-I182 HydrophobicContact CB-CB 4.15Å; C168-I182 HydrophobicContact CB-CD1 4.07Å; C168-I182 HydrophobicContact CB-CG1 4.27Å; C168-I182 PolarHBondContact N-O 3.06Å; C168-I182 PolarHBondContact O-N 2.9Å; C168-N217 PolarHBondContact SG-O 3.26Å |
| 169 | I | 92.5 | Very high | 91.6 | Very high | 12 Ų | 12 | 43.3 Ų | 43.3 | 6% | 0.062 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 122.3 | 170.6 | -50.6 | 178 | 0 | 0 | 0 | 107.7 | I147 I166 V179 A180 I181 I201 I204 F216 | I147-I169 HydrophobicContact CD1-CD1 4.19Å; I166-I169 HydrophobicContact CD1-CD1 4.27Å; I166-I169 HydrophobicContact CG2-CD1 3.93Å; I166-I169 HydrophobicContact CG2-CG1 3.54Å; I169-V179 HydrophobicContact CG2-CG1 3.97Å; I169-A180 WeakPolarHBondContact CA-O 3.43Å; I169-I181 HydrophobicContact CG1-CG1 4.33Å; I169-I181 HydrophobicContact CG2-CG1 4.1Å; I169-I201 HydrophobicContact CG2-CG1 4.04Å; I169-I204 HydrophobicContact CD1-CB 4.38Å; I169-I204 HydrophobicContact CD1-CD1 4.23Å; I169-I204 HydrophobicContact CD1-CG2 3.39Å; I169-F216 HydrophobicContact CD1-CD2 3.85Å; I169-F216 HydrophobicContact CD1-CE2 3.88Å; I169-F216 HydrophobicContact CD1-CG 4.39Å; I169-F216 HydrophobicContact CD1-CZ 4.4Å; I169-F216 HydrophobicContact CG1-CD2 4.3Å; I169-F216 HydrophobicContact CG1-CG 4.41Å |
| 170 | S | 92.1 | Very high | 91.8 | Very high | 24 Ų | 24 | 39.2 Ų | 39.2 | 17% | 0.168 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 155.8 | -177.9 | -179.3 | 0 | 0 | 0 | 0 | 112 | A180 | S170-A180 PolarHBondContact N-O 2.8Å; S170-A180 VanDerWaalsContact N-O 3.09Å; S170-A180 PolarHBondContact O-N 3.33Å |
| 171 | K | 93.4 | Very high | 91.9 | Very high | 90 Ų | 90 | 37.3 Ų | 37.3 | 39% | 0.391 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 148.2 | 167.7 | -62.8 | -171.4 | -71.3 | -174.1 | 0 | 110 | G178 P197 D198 I201 | K171-G178 WeakPolarHBondContact CA-O 3.34Å; K171-P197 HydrophobicContact CD-CB 4.11Å; K171-P197 HydrophobicContact CD-CG 4.29Å; K171-P197 HydrophobicContact CG-CB 4.24Å; K171-D198 WeakPolarHBondContact CD-OD1 3.26Å; K171-D198 WeakPolarHBondContact CE-OD1 3.44Å; K171-D198 IonicContact NZ-OD1 3.96Å; K171-D198 PolarHBondContact NZ-OD1 3.01Å; K171-D198 IonicContact NZ-OD2 3.57Å; K171-D198 PolarHBondContact NZ-OD2 3.37Å; K171-I201 HydrophobicContact CG-CD1 3.56Å |
| 172 | I | 92.9 | Very high | 91.8 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -90.3 | 116.2 | 172.1 | -58.9 | 177.6 | 0 | 0 | 0 | 107 | D174 T175 G178 A180 I191 L223 R225 | I172-D174 WeakPolarHBondContact CG2-OD1 3.45Å; I172-D174 PolarHBondContact O-N 3.17Å; I172-T175 PolarHBondContact O-N 2.73Å; I172-G178 PolarHBondContact N-O 2.98Å; I172-A180 HydrophobicContact CD1-CB 4.22Å; I172-A180 HydrophobicContact CG1-CB 4.01Å; I172-I191 HydrophobicContact CD1-CB 4.45Å; I172-I191 HydrophobicContact CD1-CG1 4.32Å; I172-I191 HydrophobicContact CD1-CG2 3.41Å; I172-I191 VanDerWaalsContact CD1-CG2 3.41Å; I172-L223 CarbonylContact C-O 3.5Å; I172-L223 WeakPolarHBondContact CA-O 3.33Å; I172-R225 HydrophobicContact CG2-CB 4.38Å |
| 173 | H | 88.5 | Confident | 91.6 | Very high | 155 Ų | 155 | 37.5 Ų | 37.5 | 72% | 0.718 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -36.8 | -165.2 | -177.5 | -82.4 | 0 | 0 | 0 | 113.6 | P222 L223 | H173-P222 HydrophobicContact CB-CB 4.21Å; H173-L223 PolarHBondContact N-O 3Å |
| 174 | D | 90.3 | Very high | 90.9 | Very high | 80 Ų | 80 | 37.9 Ų | 37.9 | 43% | 0.428 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -0.4 | -179.6 | 59.3 | 7.7 | 0 | 0 | 0 | 113.7 | I172 T224 R225 | I172-D174 WeakPolarHBondContact CG2-OD1 3.45Å; I172-D174 PolarHBondContact O-N 3.17Å; D174-T224 WeakPolarHBondContact OD2-CB 3.46Å; D174-R225 VanDerWaalsContact CG-N 3.3Å; D174-R225 WeakPolarHBondContact OD1-CB 3.43Å; D174-R225 PolarHBondContact OD1-N 3.39Å; D174-R225 WeakPolarHBondContact OD2-CB 3.43Å; D174-R225 PolarHBondContact OD2-N 3.32Å |
| 175 | T | 87.6 | Confident | 90.3 | Very high | 37 Ų | 37 | 36.4 Ų | 36.4 | 23% | 0.227 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -125.8 | 104.9 | -177.6 | -54.4 | 0 | 0 | 0 | 0 | 109.8 | I172 N177 G178 L193 | I172-T175 PolarHBondContact O-N 2.73Å; T175-N177 PolarHBondContact O-N 2.73Å; T175-G178 PolarHBondContact O-N 3.27Å; T175-L193 HydrophobicContact CG2-CD2 3.91Å |
| 176 | S | 82.4 | Confident | 90 | Very high | 110 Ų | 110 | 37.2 Ų | 37.2 | 77% | 0.769 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -24.6 | -169.3 | 66.7 | 0 | 0 | 0 | 0 | 115.8 | ||
| 177 | N | 91.1 | Very high | 89.6 | Confident | 71 Ų | 71 | 36.9 Ų | 36.9 | 38% | 0.38 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | 6.4 | -178.5 | -67.8 | -6 | 0 | 0 | 0 | 113.1 | T175 L193 T194 | T175-N177 PolarHBondContact O-N 2.73Å; N177-L193 CarbonylContact O-C 3.52Å; N177-L193 VanDerWaalsContact O-CA 3.28Å; N177-L193 WeakPolarHBondContact O-CA 3.39Å; N177-T194 WeakPolarHBondContact CA-O 3.48Å; N177-T194 VanDerWaalsContact CB-O 3.23Å; N177-T194 WeakPolarHBondContact CB-O 3.44Å; N177-T194 PolarHBondContact O-N 2.75Å |
| 178 | G | 93.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 131.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K171 I172 T175 | K171-G178 WeakPolarHBondContact CA-O 3.34Å; I172-G178 PolarHBondContact N-O 2.98Å; T175-G178 PolarHBondContact O-N 3.27Å |
| 179 | V | 95 | Very high | 89.7 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 131 | 170.8 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | I169 F192 T194 P197 L200 I201 | I169-V179 HydrophobicContact CG2-CG1 3.97Å; V179-F192 PolarHBondContact N-O 3.05Å; V179-F192 PolarHBondContact O-N 3.41Å; V179-T194 HydrophobicContact CG2-CG2 4.11Å; V179-P197 HydrophobicContact CG2-CB 3.47Å; V179-P197 VanDerWaalsContact CG2-CB 3.47Å; V179-L200 HydrophobicContact CB-CD2 4.43Å; V179-L200 HydrophobicContact CG1-CD2 4.35Å; V179-L200 HydrophobicContact CG2-CD2 4.25Å; V179-I201 HydrophobicContact CG1-CD1 4.31Å; V179-I201 HydrophobicContact CG1-CG1 4.18Å |
| 180 | A | 93.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | I169 S170 I172 I189 H190 L223 | I169-A180 WeakPolarHBondContact CA-O 3.43Å; S170-A180 PolarHBondContact N-O 2.8Å; S170-A180 VanDerWaalsContact N-O 3.09Å; S170-A180 PolarHBondContact O-N 3.33Å; I172-A180 HydrophobicContact CD1-CB 4.22Å; I172-A180 HydrophobicContact CG1-CB 4.01Å; A180-I189 HydrophobicContact CB-CG2 3.91Å; A180-H190 WeakPolarHBondContact CA-O 3.49Å; A180-L223 HydrophobicContact CB-CD1 3.8Å |
| 181 | I | 93.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 116.5 | 169.8 | -64.2 | 166.6 | 0 | 0 | 0 | 107.5 | I147 I166 I169 H183 H190 F192 | I147-I181 HydrophobicContact CD1-CD1 3.75Å; I166-I181 HydrophobicContact CD1-CG2 4.17Å; I166-I181 HydrophobicContact CG1-CG2 4.18Å; I166-I181 HydrophobicContact CG2-CG2 4.24Å; I169-I181 HydrophobicContact CG1-CG1 4.33Å; I169-I181 HydrophobicContact CG2-CG1 4.1Å; I181-H183 HydrophobicContact CG2-CB 4.33Å; I181-H190 HydrophobicContact CB-CB 4.49Å; I181-H190 PolarHBondContact N-O 2.85Å; I181-H190 PolarHBondContact O-N 3.12Å; I181-F192 HydrophobicContact CD1-CD2 4.02Å; I181-F192 HydrophobicContact CD1-CE2 3.8Å |
| 182 | I | 92.8 | Very high | 89.9 | Confident | 18 Ų | 18 | 29.4 Ų | 29.4 | 9% | 0.092 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 119.3 | 175 | -52.3 | -173.2 | 0 | 0 | 0 | 108 | E167 C168 H188 I189 L223 | E167-I182 HydrophobicContact CB-CB 4.41Å; E167-I182 HydrophobicContact CB-CG2 4.12Å; E167-I182 PolarHBondContact N-O 3.4Å; C168-I182 HydrophobicContact CB-CB 4.15Å; C168-I182 HydrophobicContact CB-CD1 4.07Å; C168-I182 HydrophobicContact CB-CG1 4.27Å; C168-I182 PolarHBondContact N-O 3.06Å; C168-I182 PolarHBondContact O-N 2.9Å; I182-H188 CarbonylContact C-O 3.55Å; I182-H188 VanDerWaalsContact CA-O 3.29Å; I182-H188 WeakPolarHBondContact CA-O 3.35Å; I182-I189 HydrophobicContact CG1-CG1 4.33Å; I182-L223 HydrophobicContact CD1-CD1 4.35Å; I182-L223 HydrophobicContact CD1-CD2 4.46Å |
| 183 | H | 89.5 | Confident | 90 | Very high | 14 Ų | 14 | 31.5 Ų | 31.5 | 7% | 0.065 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 151.4 | -167.9 | 166.4 | -83.3 | 0 | 0 | 0 | 112.7 | Y161 D165 I181 H188 | Y161-H183 HydrophobicContact CD1-CB 4.42Å; Y161-H183 AromaticContact CD1-CD2 3.99Å; Y161-H183 AromaticContact CD1-CG 3.93Å; D165-H183 WeakPolarHBondContact O-CA 3.44Å; D165-H183 PolarHBondContact O-CD2 2.98Å; I181-H183 HydrophobicContact CG2-CB 4.33Å; H183-H188 PolarHBondContact N-O 2.92Å; H183-H188 WeakPolarHBondContact O-CB 3.32Å; H183-H188 PolarHBondContact O-N 3.43Å |
| 184 | G | 80 | Confident | 90.4 | Very high | 8 Ų | 8 | 24.5 Ų | 24.5 | 8% | 0.082 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | 8.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | D165 F186 R314 | D165-G184 PolarHBondContact O-N 3.21Å; G184-F186 PolarHBondContact O-N 3.24Å; G184-R314 WeakPolarHBondContact O-CD 3.46Å; G184-R314 PolarHBondContact O-NE 3.1Å |
| 185 | G | 80.1 | Confident | 90.5 | Very high | 37 Ų | 37 | 31.5 Ų | 31.5 | 38% | 0.381 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | -21.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | E167 | E167-G185 WeakPolarHBondContact OE1-CA 3.43Å; E167-G185 PolarHBondContact OE1-N 3.25Å |
| 186 | F | 85.3 | Confident | 90.7 | Very high | 38 Ų | 38 | 34.7 Ų | 34.7 | 17% | 0.167 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 4.3 | 177.4 | -166.9 | -122 | 0 | 0 | 0 | 113.4 | E167 G184 H188 L233 G234 K235 V236 L275 P291 | E167-F186 PolarHBondContact OE1-N 2.64Å; G184-F186 PolarHBondContact O-N 3.24Å; F186-H188 AromaticContact CD1-CE1 3.81Å; F186-H188 AromaticContact CD1-NE2 3.78Å; F186-L233 WeakPolarHBondContact CE1-O 3.29Å; F186-G234 WeakPolarHBondContact O-CA 3.25Å; F186-K235 PolarHBondContact O-N 3.24Å; F186-V236 HydrophobicContact CE1-CG2 3.41Å; F186-V236 VanDerWaalsContact CE1-CG2 3.41Å; F186-V236 HydrophobicContact CE2-CG2 4.41Å; F186-V236 HydrophobicContact CZ-CG2 3.26Å; F186-L275 HydrophobicContact CE1-CD2 4.02Å; F186-L275 HydrophobicContact CE2-CD2 4.19Å; F186-L275 HydrophobicContact CZ-CD1 4.49Å; F186-L275 HydrophobicContact CZ-CD2 3.44Å; F186-L275 VanDerWaalsContact CZ-CD2 3.44Å; F186-P291 HydrophobicContact CB-CG 4.16Å; F186-P291 HydrophobicContact CD1-CG 4.14Å; F186-P291 HydrophobicContact CD2-CG 3.26Å; F186-P291 HydrophobicContact CE1-CG 4.35Å; F186-P291 HydrophobicContact CE2-CG 3.54Å; F186-P291 HydrophobicContact CG-CG 3.59Å; F186-P291 HydrophobicContact CZ-CG 4.07Å |
| 187 | G | 86.4 | Confident | 91.2 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 5% | 0.052 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 25.9 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | E167 I189 | E167-G187 PolarHBondContact OE1-N 2.91Å; G187-I189 WeakPolarHBondContact O-CG1 3.03Å; G187-I189 PolarHBondContact O-N 3.43Å |
| 188 | H | 90.9 | Very high | 91.3 | Very high | 19 Ų | 19 | 31.2 Ų | 31.2 | 9% | 0.088 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 130.5 | 177.4 | -68.8 | -66.3 | 0 | 0 | 0 | 111.4 | I182 H183 F186 L233 A289 | I182-H188 CarbonylContact C-O 3.55Å; I182-H188 VanDerWaalsContact CA-O 3.29Å; I182-H188 WeakPolarHBondContact CA-O 3.35Å; H183-H188 PolarHBondContact N-O 2.92Å; H183-H188 WeakPolarHBondContact O-CB 3.32Å; H183-H188 PolarHBondContact O-N 3.43Å; F186-H188 AromaticContact CD1-CE1 3.81Å; F186-H188 AromaticContact CD1-NE2 3.78Å; H188-L233 PolarHBondContact CE1-O 3.31Å; H188-L233 VanDerWaalsContact ND1-C 3.28Å; H188-L233 PolarHBondContact ND1-O 3.45Å; H188-L233 VanDerWaalsContact ND1-O 3.09Å; H188-A289 PolarHBondContact CE1-O 3.07Å; H188-A289 PolarHBondContact NE2-O 2.86Å; H188-A289 VanDerWaalsContact NE2-O 3.12Å |
| 189 | I | 92.7 | Very high | 91.3 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 120.2 | -175.1 | -48.7 | 179.4 | 0 | 0 | 0 | 110.1 | A180 I182 G187 I191 Y227 C228 R232 | A180-I189 HydrophobicContact CB-CG2 3.91Å; I182-I189 HydrophobicContact CG1-CG1 4.33Å; G187-I189 WeakPolarHBondContact O-CG1 3.03Å; G187-I189 PolarHBondContact O-N 3.43Å; I189-I191 HydrophobicContact CG2-CG1 4.17Å; I189-Y227 HydrophobicContact CD1-CD1 4.31Å; I189-Y227 HydrophobicContact CD1-CE1 3.98Å; I189-C228 HydrophobicContact CG2-CB 4.05Å; I189-R232 HydrophobicContact CB-CG 4.48Å; I189-R232 PolarHBondContact N-O 3.32Å; I189-R232 WeakPolarHBondContact O-CG 3.45Å |
| 190 | H | 92.7 | Very high | 91.3 | Very high | 16 Ų | 16 | 34.1 Ų | 34.1 | 7% | 0.074 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124.4 | 174 | -62.2 | -66.6 | 0 | 0 | 0 | 110.5 | W131 Y161 A180 I181 F192 | W131-H190 AromaticContact CZ2-CE1 3.76Å; Y161-H190 AromaticContact CE1-CD2 3.36Å; Y161-H190 WeakPolarHBondContact CE1-CD2 3.3Å; Y161-H190 AromaticContact CE1-CG 3.88Å; Y161-H190 AromaticContact CE1-NE2 3.5Å; Y161-H190 WeakPolarHBondContact CE1-NE2 3.34Å; Y161-H190 AromaticContact CZ-CD2 3.86Å; Y161-H190 AromaticContact CZ-CG 3.9Å; A180-H190 WeakPolarHBondContact CA-O 3.49Å; I181-H190 HydrophobicContact CB-CB 4.49Å; I181-H190 PolarHBondContact N-O 2.85Å; I181-H190 PolarHBondContact O-N 3.12Å; H190-F192 HydrophobicContact CB-CE2 3.82Å; H190-F192 HydrophobicContact CB-CZ 4.49Å |
| 191 | I | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 131.5 | -171.8 | -49.4 | 169.3 | 0 | 0 | 0 | 111 | I129 I172 I189 R225 C228 | I129-I191 HydrophobicContact CD1-CG2 4.05Å; I129-I191 PolarHBondContact N-O 2.91Å; I172-I191 HydrophobicContact CD1-CB 4.45Å; I172-I191 HydrophobicContact CD1-CG1 4.32Å; I172-I191 HydrophobicContact CD1-CG2 3.41Å; I172-I191 VanDerWaalsContact CD1-CG2 3.41Å; I189-I191 HydrophobicContact CG2-CG1 4.17Å; I191-R225 VanDerWaalsContact CG2-NH1 3.27Å; I191-C228 HydrophobicContact CD1-CB 3.61Å; I191-C228 HydrophobicContact CG1-CB 4.27Å |
| 192 | F | 95.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.3 | 178.7 | -62.1 | -88.8 | 0 | 0 | 0 | 110.1 | A126 T127 K128 V138 L140 V149 Y161 V179 I181 H190 | A126-F192 HydrophobicContact CB-CB 4.43Å; T127-F192 CarbonylContact O-C 3.58Å; T127-F192 WeakPolarHBondContact O-CA 3.14Å; K128-F192 HydrophobicContact CB-CD1 3.86Å; K128-F192 HydrophobicContact CB-CE1 3.74Å; K128-F192 HydrophobicContact CD-CE1 3.63Å; K128-F192 HydrophobicContact CD-CZ 3.89Å; K128-F192 HydrophobicContact CG-CD1 4.16Å; K128-F192 HydrophobicContact CG-CE1 3.76Å; K128-F192 HydrophobicContact CG-CZ 4.28Å; V138-F192 HydrophobicContact CG2-CD1 4.13Å; V138-F192 HydrophobicContact CG2-CE1 4.17Å; L140-F192 HydrophobicContact CD1-CB 4.45Å; L140-F192 HydrophobicContact CD1-CD1 4.18Å; L140-F192 HydrophobicContact CD1-CG 4.26Å; L140-F192 HydrophobicContact CD2-CD1 3.92Å; L140-F192 HydrophobicContact CD2-CE1 3.67Å; L140-F192 HydrophobicContact CD2-CZ 4.22Å; L140-F192 HydrophobicContact CG-CD1 4.49Å; V149-F192 HydrophobicContact CG2-CE1 4.27Å; V149-F192 HydrophobicContact CG2-CZ 4.13Å; Y161-F192 HydrophobicContact CE2-CE2 4.31Å; Y161-F192 AromaticContact CE2-CZ 3.88Å; Y161-F192 HydrophobicContact CE2-CZ 3.88Å; V179-F192 PolarHBondContact N-O 3.05Å; V179-F192 PolarHBondContact O-N 3.41Å; I181-F192 HydrophobicContact CD1-CD2 4.02Å; I181-F192 HydrophobicContact CD1-CE2 3.8Å; H190-F192 HydrophobicContact CB-CE2 3.82Å; H190-F192 HydrophobicContact CB-CZ 4.49Å |
| 193 | L | 95.4 | Very high | 91.4 | Very high | 48 Ų | 48 | 42.8 Ų | 42.8 | 25% | 0.251 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 126 | 170.8 | -57.6 | 179.8 | 0 | 0 | 0 | 108.7 | A126 T127 I129 T175 N177 | A126-L193 CarbonylContact C-O 3.23Å; A126-L193 WeakPolarHBondContact CA-O 3.26Å; A126-L193 WeakPolarHBondContact CB-O 3.4Å; T127-L193 PolarHBondContact N-O 3.43Å; T127-L193 PolarHBondContact O-N 3.36Å; I129-L193 HydrophobicContact CD1-CD1 3.98Å; I129-L193 HydrophobicContact CD1-CD2 4.03Å; I129-L193 HydrophobicContact CD1-CG 3.87Å; I129-L193 HydrophobicContact CG1-CD1 4.3Å; I129-L193 HydrophobicContact CG1-CG 4.23Å; T175-L193 HydrophobicContact CG2-CD2 3.91Å; N177-L193 CarbonylContact O-C 3.52Å; N177-L193 VanDerWaalsContact O-CA 3.28Å; N177-L193 WeakPolarHBondContact O-CA 3.39Å |
| 194 | T | 95.4 | Very high | 91.6 | Very high | 7 Ų | 7 | 42.1 Ų | 42.1 | 4% | 0.043 | 21% | 0.206 | C | C | . | . | trans | -142.1 | 153.1 | 176.9 | -174.8 | 0 | 0 | 0 | 0 | 110.9 | I124 H125 N177 V179 E196 P197 L200 | I124-T194 WeakPolarHBondContact CG2-OG1 3.49Å; H125-T194 PolarHBondContact O-OG1 2.92Å; N177-T194 WeakPolarHBondContact CA-O 3.48Å; N177-T194 VanDerWaalsContact CB-O 3.23Å; N177-T194 WeakPolarHBondContact CB-O 3.44Å; N177-T194 PolarHBondContact O-N 2.75Å; V179-T194 HydrophobicContact CG2-CG2 4.11Å; T194-E196 VanDerWaalsContact C-N 3.25Å; T194-E196 PolarHBondContact O-N 3.24Å; T194-P197 HydrophobicContact CG2-CB 4.1Å; T194-L200 HydrophobicContact CG2-CD2 3.88Å | ||
| 195 | R | 93.6 | Very high | 92.3 | Very high | 228 Ų | 228 | 44.2 Ų | 44.2 | 86% | 0.86 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -73.7 | -18.9 | 177 | -63.1 | -178.6 | -177.8 | 176.7 | -0.2 | 112.7 | P197 | R195-P197 VanDerWaalsContact C-CD 3.46Š|
| 196 | E | 91.5 | Very high | 93 | Very high | 103 Ų | 103 | 48 Ų | 48 | 48% | 0.481 | 22% | 0.222 | S | C | . | . | trans | -127.8 | 61.5 | -175.2 | -57.7 | -177.8 | -174 | 0 | 0 | 112 | T194 D198 N199 L200 | T194-E196 VanDerWaalsContact C-N 3.25Å; T194-E196 PolarHBondContact O-N 3.24Å; E196-D198 PolarHBondContact O-N 2.82Å; E196-N199 HydrophobicContact CB-CB 3.87Å; E196-N199 PolarHBondContact O-N 2.9Å; E196-N199 PolarHBondContact OE2-ND2 3.19Å; E196-L200 PolarHBondContact O-N 2.73Å | ||
| 197 | P | 92.9 | Very high | 93.4 | Very high | 14 Ų | 14 | 47 Ų | 47 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.8 | -39.3 | -173.4 | 25.6 | -34.8 | 0 | 0 | 0 | 113 | K171 V179 T194 R195 L200 I201 | K171-P197 HydrophobicContact CD-CB 4.11Å; K171-P197 HydrophobicContact CD-CG 4.29Å; K171-P197 HydrophobicContact CG-CB 4.24Å; V179-P197 HydrophobicContact CG2-CB 3.47Å; V179-P197 VanDerWaalsContact CG2-CB 3.47Å; T194-P197 HydrophobicContact CG2-CB 4.1Å; R195-P197 VanDerWaalsContact C-CD 3.46Å; P197-L200 PolarHBondContact O-N 3.06Å; P197-I201 WeakPolarHBondContact O-CG1 3.21Å; P197-I201 PolarHBondContact O-N 3.09Å |
| 198 | D | 92 | Very high | 93.8 | Very high | 95 Ų | 95 | 46.8 Ų | 46.8 | 51% | 0.508 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -67.2 | -38.7 | 178.1 | -72.6 | -52.4 | 0 | 0 | 0 | 112.6 | K171 E196 K202 | K171-D198 WeakPolarHBondContact CD-OD1 3.26Å; K171-D198 WeakPolarHBondContact CE-OD1 3.44Å; K171-D198 IonicContact NZ-OD1 3.96Å; K171-D198 PolarHBondContact NZ-OD1 3.01Å; K171-D198 IonicContact NZ-OD2 3.57Å; K171-D198 PolarHBondContact NZ-OD2 3.37Å; E196-D198 PolarHBondContact O-N 2.82Å; D198-K202 VanDerWaalsContact O-CB 3.23Å; D198-K202 WeakPolarHBondContact O-CB 3.34Å; D198-K202 PolarHBondContact O-N 3.34Å |
| 199 | N | 94.1 | Very high | 93.9 | Very high | 63 Ų | 63 | 50 Ų | 50 | 34% | 0.337 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.7 | -45.7 | 176.1 | -168.4 | 9.5 | 0 | 0 | 0 | 110.7 | E196 I201 K202 E203 | E196-N199 HydrophobicContact CB-CB 3.87Å; E196-N199 PolarHBondContact O-N 2.9Å; E196-N199 PolarHBondContact OE2-ND2 3.19Å; N199-I201 PolarHBondContact O-N 3.4Å; N199-K202 PolarHBondContact O-N 2.93Å; N199-E203 PolarHBondContact O-N 3.04Å |
| 200 | L | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55 | -52 | 176.1 | 175.2 | 62 | 0 | 0 | 0 | 111.5 | I124 L140 I142 V179 T194 E196 P197 K202 E203 I204 | I124-L200 HydrophobicContact CB-CD1 4.45Å; I124-L200 HydrophobicContact CD1-CB 3.8Å; I124-L200 HydrophobicContact CD1-CD1 3.77Å; I124-L200 HydrophobicContact CD1-CG 4.4Å; L140-L200 HydrophobicContact CD1-CD1 4.01Å; L140-L200 HydrophobicContact CD1-CD2 3.74Å; I142-L200 HydrophobicContact CD1-CD1 3.93Å; I142-L200 HydrophobicContact CG1-CD1 4.44Å; V179-L200 HydrophobicContact CB-CD2 4.43Å; V179-L200 HydrophobicContact CG1-CD2 4.35Å; V179-L200 HydrophobicContact CG2-CD2 4.25Å; T194-L200 HydrophobicContact CG2-CD2 3.88Å; E196-L200 PolarHBondContact O-N 2.73Å; P197-L200 PolarHBondContact O-N 3.06Å; L200-K202 VanDerWaalsContact C-N 3.34Å; L200-K202 PolarHBondContact O-N 3.05Å; L200-E203 PolarHBondContact O-N 3.18Å; L200-I204 HydrophobicContact CD1-CD1 3.6Å; L200-I204 HydrophobicContact CD1-CG1 4.2Å; L200-I204 HydrophobicContact CG-CD1 3.84Å; L200-I204 WeakPolarHBondContact O-CB 3.28Å; L200-I204 WeakPolarHBondContact O-CD1 3.41Å; L200-I204 VanDerWaalsContact O-CG1 3.23Å; L200-I204 WeakPolarHBondContact O-CG1 3.4Å; L200-I204 PolarHBondContact O-N 3.19Å |
| 201 | I | 93.6 | Very high | 93.7 | Very high | 27 Ų | 27 | 54.3 Ų | 54.3 | 14% | 0.138 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.6 | -41 | 180 | -66.5 | 171 | 0 | 0 | 0 | 111.1 | I169 K171 V179 P197 N199 N205 | I169-I201 HydrophobicContact CG2-CG1 4.04Å; K171-I201 HydrophobicContact CG-CD1 3.56Å; V179-I201 HydrophobicContact CG1-CD1 4.31Å; V179-I201 HydrophobicContact CG1-CG1 4.18Å; P197-I201 WeakPolarHBondContact O-CG1 3.21Å; P197-I201 PolarHBondContact O-N 3.09Å; N199-I201 PolarHBondContact O-N 3.4Å; I201-N205 WeakPolarHBondContact CG2-ND2 3.34Å; I201-N205 WeakPolarHBondContact O-CB 3.35Å; I201-N205 PolarHBondContact O-N 3.14Å; I201-N205 PolarHBondContact O-ND2 3.36Å |
| 202 | K | 94 | Very high | 93.7 | Very high | 141 Ų | 141 | 54.3 Ų | 54.3 | 61% | 0.613 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.5 | -48 | 179 | -177.4 | -177.8 | 178.9 | -177.1 | 0 | 111.9 | D198 N199 L200 N205 K206 | D198-K202 VanDerWaalsContact O-CB 3.23Å; D198-K202 WeakPolarHBondContact O-CB 3.34Å; D198-K202 PolarHBondContact O-N 3.34Å; N199-K202 PolarHBondContact O-N 2.93Å; L200-K202 VanDerWaalsContact C-N 3.34Å; L200-K202 PolarHBondContact O-N 3.05Å; K202-N205 PolarHBondContact O-N 3.34Å; K202-K206 VanDerWaalsContact O-CB 3.23Å; K202-K206 WeakPolarHBondContact O-CB 3.43Å; K202-K206 PolarHBondContact O-N 2.99Å |
| 203 | E | 94.7 | Very high | 93.5 | Very high | 33 Ų | 33 | 55.9 Ų | 55.9 | 15% | 0.154 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.2 | -34.6 | -179 | -71.9 | -60.6 | 133.6 | 0 | 0 | 112.1 | V122 I142 N199 L200 K206 S207 | V122-E203 HydrophobicContact CG1-CB 4.44Å; V122-E203 HydrophobicContact CG1-CG 4.32Å; V122-E203 HydrophobicContact CG2-CG 4.34Å; I142-E203 HydrophobicContact CD1-CB 3.86Å; N199-E203 PolarHBondContact O-N 3.04Å; L200-E203 PolarHBondContact O-N 3.18Å; E203-K206 VanDerWaalsContact CD-NZ 3.3Å; E203-K206 IonicContact OE1-NZ 3.46Å; E203-K206 PolarHBondContact OE1-NZ 2.89Å; E203-K206 IonicContact OE2-NZ 3.42Å; E203-K206 PolarHBondContact OE2-NZ 3.05Å; E203-S207 WeakPolarHBondContact O-CB 3.44Å; E203-S207 PolarHBondContact O-N 2.96Å |
| 204 | I | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.4 | -52.7 | 170.9 | -70 | 164 | 0 | 0 | 0 | 110.9 | I142 I147 F163 I169 L200 K206 S207 A208 F216 | I142-I204 HydrophobicContact CD1-CG1 3.91Å; I142-I204 HydrophobicContact CG1-CG1 4.04Å; I142-I204 HydrophobicContact CG2-CG1 4.17Å; I147-I204 HydrophobicContact CD1-CD1 3.6Å; I147-I204 HydrophobicContact CD1-CG1 4.04Å; I147-I204 HydrophobicContact CD1-CG2 4.15Å; I147-I204 HydrophobicContact CG1-CD1 4.29Å; I147-I204 HydrophobicContact CG1-CG1 4.27Å; F163-I204 HydrophobicContact CD1-CG2 4.43Å; F163-I204 HydrophobicContact CE1-CG2 3.77Å; F163-I204 HydrophobicContact CZ-CG2 4.46Å; I169-I204 HydrophobicContact CD1-CB 4.38Å; I169-I204 HydrophobicContact CD1-CD1 4.23Å; I169-I204 HydrophobicContact CD1-CG2 3.39Å; L200-I204 HydrophobicContact CD1-CD1 3.6Å; L200-I204 HydrophobicContact CD1-CG1 4.2Å; L200-I204 HydrophobicContact CG-CD1 3.84Å; L200-I204 WeakPolarHBondContact O-CB 3.28Å; L200-I204 WeakPolarHBondContact O-CD1 3.41Å; L200-I204 VanDerWaalsContact O-CG1 3.23Å; L200-I204 WeakPolarHBondContact O-CG1 3.4Å; L200-I204 PolarHBondContact O-N 3.19Å; I204-K206 VanDerWaalsContact C-N 3.32Å; I204-K206 PolarHBondContact O-N 2.85Å; I204-S207 PolarHBondContact O-N 3.26Å; I204-A208 WeakPolarHBondContact O-CB 3.34Å; I204-A208 PolarHBondContact O-N 3.37Å; I204-F216 HydrophobicContact CG2-CD2 4.44Å; I204-F216 HydrophobicContact CG2-CE2 3.7Å; I204-F216 HydrophobicContact CG2-CZ 4.46Å |
| 205 | N | 94.3 | Very high | 92.9 | Very high | 52 Ų | 52 | 58.3 Ų | 58.3 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | 179.9 | -84.6 | -65.3 | 0 | 0 | 0 | 112 | I201 K202 H209 F216 | I201-N205 WeakPolarHBondContact CG2-ND2 3.34Å; I201-N205 WeakPolarHBondContact O-CB 3.35Å; I201-N205 PolarHBondContact O-N 3.14Å; I201-N205 PolarHBondContact O-ND2 3.36Å; K202-N205 PolarHBondContact O-N 3.34Å; N205-H209 WeakPolarHBondContact O-CB 3.26Å; N205-H209 PolarHBondContact O-N 3.18Å; N205-F216 WeakPolarHBondContact OD1-CD2 3.21Å |
| 206 | K | 93.7 | Very high | 92.6 | Very high | 117 Ų | 117 | 48.6 Ų | 48.6 | 51% | 0.509 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 176.1 | 177.1 | -179 | 163.9 | -150.8 | 0 | 111.6 | K202 E203 I204 S210 | K202-K206 VanDerWaalsContact O-CB 3.23Å; K202-K206 WeakPolarHBondContact O-CB 3.43Å; K202-K206 PolarHBondContact O-N 2.99Å; E203-K206 VanDerWaalsContact CD-NZ 3.3Å; E203-K206 IonicContact OE1-NZ 3.46Å; E203-K206 PolarHBondContact OE1-NZ 2.89Å; E203-K206 IonicContact OE2-NZ 3.42Å; E203-K206 PolarHBondContact OE2-NZ 3.05Å; I204-K206 VanDerWaalsContact C-N 3.32Å; I204-K206 PolarHBondContact O-N 2.85Å; K206-S210 WeakPolarHBondContact O-CB 3.46Å; K206-S210 PolarHBondContact O-N 2.78Å; K206-S210 PolarHBondContact O-OG 2.93Å |
| 207 | S | 94 | Very high | 92.1 | Very high | 17 Ų | 17 | 49.7 Ų | 49.7 | 12% | 0.119 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.3 | -51.5 | 177.7 | -169.3 | 0 | 0 | 0 | 0 | 111.4 | G143 E203 I204 H209 S210 N211 | G143-S207 PolarHBondContact O-OG 2.94Å; E203-S207 WeakPolarHBondContact O-CB 3.44Å; E203-S207 PolarHBondContact O-N 2.96Å; I204-S207 PolarHBondContact O-N 3.26Å; S207-H209 VanDerWaalsContact C-N 3.34Å; S207-H209 PolarHBondContact O-N 3.32Å; S207-S210 PolarHBondContact O-N 2.94Å; S207-S210 PolarHBondContact O-OG 2.73Å; S207-S210 VanDerWaalsContact O-OG 3.06Å; S207-N211 WeakPolarHBondContact O-CB 3.22Å; S207-N211 PolarHBondContact O-N 3.39Å; S207-N211 PolarHBondContact O-ND2 3.24Å; S207-N211 PolarHBondContact OG-ND2 3.32Å |
| 208 | A | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F163 I204 L212 S213 V214 F216 | F163-A208 HydrophobicContact CB-CB 4.27Å; F163-A208 HydrophobicContact CD1-CB 4.2Å; F163-A208 HydrophobicContact CD2-CB 3.71Å; F163-A208 HydrophobicContact CE1-CB 4.47Å; F163-A208 HydrophobicContact CE2-CB 4.02Å; F163-A208 HydrophobicContact CG-CB 3.82Å; F163-A208 HydrophobicContact CZ-CB 4.41Å; I204-A208 WeakPolarHBondContact O-CB 3.34Å; I204-A208 PolarHBondContact O-N 3.37Å; A208-L212 CarbonylContact O-C 3.49Å; A208-L212 PolarHBondContact O-N 3.36Å; A208-S213 PolarHBondContact O-N 2.98Å; A208-S213 VanDerWaalsContact O-N 3.07Å; A208-V214 CarbonylContact C-O 3.58Å; A208-V214 HydrophobicContact CB-CB 4.41Å; A208-V214 PolarHBondContact O-N 2.91Å; A208-F216 HydrophobicContact CB-CE2 3.63Å; A208-F216 HydrophobicContact CB-CZ 3.65Å |
| 209 | H | 92.6 | Very high | 90.7 | Very high | 88 Ų | 88 | 54.9 Ų | 54.9 | 41% | 0.407 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.4 | -43.7 | 177.8 | -169.8 | 82.6 | 0 | 0 | 0 | 112 | N205 S207 N211 S213 V214 | N205-H209 WeakPolarHBondContact O-CB 3.26Å; N205-H209 PolarHBondContact O-N 3.18Å; S207-H209 VanDerWaalsContact C-N 3.34Å; S207-H209 PolarHBondContact O-N 3.32Å; H209-N211 PolarHBondContact O-N 2.92Å; H209-S213 WeakPolarHBondContact O-CA 3.39Å; H209-S213 PolarHBondContact O-N 3.45Å; H209-V214 WeakPolarHBondContact CA-O 3.09Å; H209-V214 PolarHBondContact N-O 3.49Å |
| 210 | S | 91 | Very high | 90 | Very high | 72 Ų | 72 | 57.7 Ų | 57.7 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.6 | -30.9 | -177.1 | 70.6 | 0 | 0 | 0 | 0 | 114.4 | K206 S207 | K206-S210 WeakPolarHBondContact O-CB 3.46Å; K206-S210 PolarHBondContact O-N 2.78Å; K206-S210 PolarHBondContact O-OG 2.93Å; S207-S210 PolarHBondContact O-N 2.94Å; S207-S210 PolarHBondContact O-OG 2.73Å; S207-S210 VanDerWaalsContact O-OG 3.06Å |
| 211 | N | 91.3 | Very high | 89.4 | Confident | 36 Ų | 36 | 63.3 Ų | 63.3 | 19% | 0.193 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -104.2 | -32.5 | -172.9 | -65.1 | -73.1 | 0 | 0 | 0 | 113.5 | I65 L108 P144 S207 H209 | I65-N211 VanDerWaalsContact CD1-O 3.28Å; I65-N211 WeakPolarHBondContact CD1-O 3.3Å; L108-N211 HydrophobicContact CD1-CB 4.35Å; P144-N211 HydrophobicContact CB-CB 4.24Å; P144-N211 WeakPolarHBondContact O-CB 3.31Å; S207-N211 WeakPolarHBondContact O-CB 3.22Å; S207-N211 PolarHBondContact O-N 3.39Å; S207-N211 PolarHBondContact O-ND2 3.24Å; S207-N211 PolarHBondContact OG-ND2 3.32Å; H209-N211 PolarHBondContact O-N 2.92Å |
| 212 | L | 93.3 | Very high | 89 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -121.4 | -11.4 | -179 | -59 | 177.1 | 0 | 0 | 0 | 113.1 | R100 V101 L104 L108 I145 F163 A208 V214 | R100-L212 PolarHBondContact NH2-O 3.17Å; R100-L212 VanDerWaalsContact NH2-O 3.15Å; V101-L212 HydrophobicContact CG1-CD1 4.44Å; L104-L212 HydrophobicContact CB-CD2 3.44Å; L104-L212 VanDerWaalsContact CB-CD2 3.44Å; L104-L212 HydrophobicContact CD1-CD2 4.45Å; L108-L212 HydrophobicContact CD1-CD2 4.06Å; I145-L212 HydrophobicContact CB-CD1 4.46Å; I145-L212 HydrophobicContact CG2-CD1 4.37Å; I145-L212 HydrophobicContact CG2-CD2 4.24Å; F163-L212 HydrophobicContact CB-CD1 3.95Å; F163-L212 HydrophobicContact CD2-CD1 4.15Å; A208-L212 CarbonylContact O-C 3.49Å; A208-L212 PolarHBondContact O-N 3.36Å; L212-V214 HydrophobicContact CB-CB 4.4Å; L212-V214 HydrophobicContact CB-CG2 3.73Å; L212-V214 PolarHBondContact O-N 3.1Å |
| 213 | S | 90.8 | Very high | 88.7 | Confident | 33 Ų | 33 | 60 Ų | 60 | 23% | 0.231 | 34% | 0.338 | C | S | . | . | trans | 54.9 | 40.6 | -170.8 | 154.7 | 0 | 0 | 0 | 0 | 111.1 | R100 A208 H209 | R100-S213 PolarHBondContact NH2-OG 3.45Å; A208-S213 PolarHBondContact O-N 2.98Å; A208-S213 VanDerWaalsContact O-N 3.07Å; H209-S213 WeakPolarHBondContact O-CA 3.39Å; H209-S213 PolarHBondContact O-N 3.45Å | ||
| 214 | V | 90 | Very high | 88.6 | Confident | 23 Ų | 23 | 60.9 Ų | 60.9 | 14% | 0.139 | 35% | 0.345 | C | S | . | . | trans | -94.3 | 137.2 | 171.4 | 173.4 | 0 | 0 | 0 | 0 | 108.6 | V101 A208 H209 L212 F216 | V101-V214 HydrophobicContact CG1-CG2 3.73Å; V101-V214 HydrophobicContact CG2-CG2 3.92Å; A208-V214 CarbonylContact C-O 3.58Å; A208-V214 HydrophobicContact CB-CB 4.41Å; A208-V214 PolarHBondContact O-N 2.91Å; H209-V214 WeakPolarHBondContact CA-O 3.09Å; H209-V214 PolarHBondContact N-O 3.49Å; L212-V214 HydrophobicContact CB-CB 4.4Å; L212-V214 HydrophobicContact CB-CG2 3.73Å; L212-V214 PolarHBondContact O-N 3.1Å; V214-F216 HydrophobicContact CG1-CD1 4.17Å; V214-F216 HydrophobicContact CG1-CE1 3.69Å; V214-F216 HydrophobicContact CG1-CZ 4.14Å | ||
| 215 | S | 89.1 | Confident | 88.2 | Confident | 83 Ų | 83 | 62.8 Ų | 62.8 | 58% | 0.58 | 35% | 0.352 | S | S | * | . | trans | -125.3 | 131 | 172.7 | -67.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 216 | F | 88.2 | Confident | 87.9 | Confident | 23 Ų | 23 | 66 Ų | 66 | 10% | 0.101 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -85.2 | 140.7 | -179.8 | -54.8 | -61.2 | 0 | 0 | 0 | 110.2 | F163 I166 I169 I204 N205 A208 V214 | F163-F216 HydrophobicContact CB-CE1 4.47Å; F163-F216 HydrophobicContact CB-CZ 4.01Å; F163-F216 HydrophobicContact CD1-CE2 4.48Å; F163-F216 AromaticContact CD1-CZ 3.81Å; F163-F216 HydrophobicContact CD1-CZ 3.81Å; F163-F216 HydrophobicContact CG-CZ 4.13Å; I166-F216 HydrophobicContact CB-CD1 4.12Å; I166-F216 HydrophobicContact CB-CE1 3.67Å; I166-F216 HydrophobicContact CB-CZ 4.36Å; I166-F216 HydrophobicContact CG2-CD1 3.73Å; I166-F216 HydrophobicContact CG2-CE1 3.72Å; I166-F216 HydrophobicContact CG2-CG 4.38Å; I166-F216 HydrophobicContact CG2-CZ 4.36Å; I169-F216 HydrophobicContact CD1-CD2 3.85Å; I169-F216 HydrophobicContact CD1-CE2 3.88Å; I169-F216 HydrophobicContact CD1-CG 4.39Å; I169-F216 HydrophobicContact CD1-CZ 4.4Å; I169-F216 HydrophobicContact CG1-CD2 4.3Å; I169-F216 HydrophobicContact CG1-CG 4.41Å; I204-F216 HydrophobicContact CG2-CD2 4.44Å; I204-F216 HydrophobicContact CG2-CE2 3.7Å; I204-F216 HydrophobicContact CG2-CZ 4.46Å; N205-F216 WeakPolarHBondContact OD1-CD2 3.21Å; A208-F216 HydrophobicContact CB-CE2 3.63Å; A208-F216 HydrophobicContact CB-CZ 3.65Å; V214-F216 HydrophobicContact CG1-CD1 4.17Å; V214-F216 HydrophobicContact CG1-CE1 3.69Å; V214-F216 HydrophobicContact CG1-CZ 4.14Å |
| 217 | N | 80.9 | Confident | 87.7 | Confident | 126 Ų | 126 | 64.8 Ų | 64.8 | 67% | 0.674 | 36% | 0.362 | S | S | * | . | B | Isolated β-bridge | trans | -69.6 | 144.9 | 176.2 | -67.5 | -34.8 | 0 | 0 | 0 | 109.9 | C168 | C168-N217 PolarHBondContact SG-O 3.26Å |
| 218 | Q | 79.5 | Confident | 87.5 | Confident | 182 Ų | 182 | 64 Ų | 64 | 85% | 0.85 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 141.8 | 164.5 | -74.4 | 179.8 | -5.3 | 0 | 0 | 108.9 | ||
| 219 | P | 76.3 | Confident | 87.1 | Confident | 37 Ų | 37 | 66.5 Ų | 66.5 | 24% | 0.24 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 142.5 | 177.5 | 30.7 | -33.4 | 0 | 0 | 0 | 109.3 | N221 L223 | P219-N221 VanDerWaalsContact C-N 3.28Å; P219-N221 WeakPolarHBondContact CB-O 3.34Å; P219-N221 PolarHBondContact O-N 2.86Å; P219-L223 HydrophobicContact CB-CD2 4.46Å; P219-L223 HydrophobicContact CB-CG 4.31Å; P219-L223 HydrophobicContact CG-CG 4.23Å |
| 220 | S | 78.4 | Confident | 86.8 | Confident | 121 Ų | 121 | 68.6 Ų | 68.6 | 85% | 0.846 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -63.3 | -36.7 | 179.3 | 50 | 0 | 0 | 0 | 0 | 112.4 | ||
| 221 | N | 82.6 | Confident | 86.6 | Confident | 119 Ų | 119 | 67.8 Ų | 67.8 | 64% | 0.636 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -114.4 | 146 | 176.2 | -66.2 | -21.1 | 0 | 0 | 0 | 110 | P219 L223 | P219-N221 VanDerWaalsContact C-N 3.28Å; P219-N221 WeakPolarHBondContact CB-O 3.34Å; P219-N221 PolarHBondContact O-N 2.86Å; N221-L223 PolarHBondContact O-N 3.3Å |
| 222 | P | 85 | Confident | 86.5 | Confident | 91 Ų | 91 | 66.4 Ų | 66.4 | 59% | 0.591 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 128.5 | 175.1 | 26.1 | -33.2 | 0 | 0 | 0 | 110.1 | H173 T224 | H173-P222 HydrophobicContact CB-CB 4.21Å; P222-T224 PolarHBondContact O-N 3.48Å |
| 223 | L | 87.6 | Confident | 86.3 | Confident | 7 Ų | 7 | 67.5 Ų | 67.5 | 4% | 0.037 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -70.9 | 122 | 178.8 | -64.7 | 176.5 | 0 | 0 | 0 | 109.8 | I172 H173 A180 I182 P219 N221 Y227 | I172-L223 CarbonylContact C-O 3.5Å; I172-L223 WeakPolarHBondContact CA-O 3.33Å; H173-L223 PolarHBondContact N-O 3Å; A180-L223 HydrophobicContact CB-CD1 3.8Å; I182-L223 HydrophobicContact CD1-CD1 4.35Å; I182-L223 HydrophobicContact CD1-CD2 4.46Å; P219-L223 HydrophobicContact CB-CD2 4.46Å; P219-L223 HydrophobicContact CB-CG 4.31Å; P219-L223 HydrophobicContact CG-CG 4.23Å; N221-L223 PolarHBondContact O-N 3.3Å; L223-Y227 HydrophobicContact CD2-CD1 3.65Å; L223-Y227 HydrophobicContact CD2-CE1 3.59Å |
| 224 | T | 91.4 | Very high | 86.2 | Confident | 51 Ų | 51 | 66 Ų | 66 | 31% | 0.313 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -96.7 | 161.7 | 170 | 59.6 | 0 | 0 | 0 | 0 | 110.6 | D174 P222 D226 Y227 C228 | D174-T224 WeakPolarHBondContact OD2-CB 3.46Å; P222-T224 PolarHBondContact O-N 3.48Å; T224-D226 VanDerWaalsContact C-N 3.28Å; T224-D226 PolarHBondContact O-N 3.37Å; T224-Y227 PolarHBondContact O-N 2.81Å; T224-Y227 VanDerWaalsContact OG1-CB 3.26Å; T224-Y227 WeakPolarHBondContact OG1-CB 3.42Å; T224-Y227 PolarHBondContact OG1-N 3.48Å; T224-C228 PolarHBondContact O-N 2.76Å; T224-C228 PolarHBondContact O-SG 2.97Å |
| 225 | R | 87.6 | Confident | 85.8 | Confident | 40 Ų | 40 | 72 Ų | 72 | 15% | 0.151 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 175.3 | 179.2 | 64.6 | -170.6 | 176.3 | 6.1 | 111.2 | E133 I172 D174 I191 C228 T229 | E133-R225 IonicContact OE1-NH2 3.72Å; E133-R225 IonicContact OE2-CZ 2.69Å; E133-R225 IonicContact OE2-NH2 3.31Å; E133-R225 PolarHBondContact OE2-NH2 3.35Å; I172-R225 HydrophobicContact CG2-CB 4.38Å; D174-R225 VanDerWaalsContact CG-N 3.3Å; D174-R225 WeakPolarHBondContact OD1-CB 3.43Å; D174-R225 PolarHBondContact OD1-N 3.39Å; D174-R225 WeakPolarHBondContact OD2-CB 3.43Å; D174-R225 PolarHBondContact OD2-N 3.32Å; I191-R225 VanDerWaalsContact CG2-NH1 3.27Å; R225-C228 PolarHBondContact O-N 3.22Å; R225-T229 WeakPolarHBondContact O-CB 3.19Å; R225-T229 PolarHBondContact O-N 3.09Å; R225-T229 PolarHBondContact O-OG1 2.88Å |
| 226 | D | 88.8 | Confident | 85.5 | Confident | 121 Ų | 121 | 68.7 Ų | 68.7 | 65% | 0.647 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.7 | -48.5 | -179.8 | -66.3 | -19.3 | 0 | 0 | 0 | 110.7 | T224 C228 T229 E230 | T224-D226 VanDerWaalsContact C-N 3.28Å; T224-D226 PolarHBondContact O-N 3.37Å; D226-C228 VanDerWaalsContact C-N 3.31Å; D226-C228 PolarHBondContact O-N 3.33Å; D226-T229 PolarHBondContact O-N 3.3Å; D226-E230 WeakPolarHBondContact O-CB 2.96Å; D226-E230 PolarHBondContact O-N 3.19Å |
| 227 | Y | 89.2 | Confident | 85.2 | Confident | 90 Ų | 90 | 71.5 Ų | 71.5 | 35% | 0.353 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.1 | -45.4 | 174.5 | 177.8 | -91.1 | 0 | 0 | 0 | 111.9 | I189 L223 T224 T229 E230 Y231 | I189-Y227 HydrophobicContact CD1-CD1 4.31Å; I189-Y227 HydrophobicContact CD1-CE1 3.98Å; L223-Y227 HydrophobicContact CD2-CD1 3.65Å; L223-Y227 HydrophobicContact CD2-CE1 3.59Å; T224-Y227 PolarHBondContact O-N 2.81Å; T224-Y227 VanDerWaalsContact OG1-CB 3.26Å; T224-Y227 WeakPolarHBondContact OG1-CB 3.42Å; T224-Y227 PolarHBondContact OG1-N 3.48Å; Y227-T229 PolarHBondContact O-N 2.83Å; Y227-E230 PolarHBondContact O-N 3.07Å; Y227-Y231 AromaticContact CD2-CD2 3.53Å; Y227-Y231 HydrophobicContact CD2-CD2 3.53Å; Y227-Y231 AromaticContact CD2-CE2 3.9Å; Y227-Y231 HydrophobicContact CD2-CE2 3.9Å; Y227-Y231 AromaticContact CE2-CD2 3.4Å; Y227-Y231 HydrophobicContact CE2-CD2 3.4Å; Y227-Y231 VanDerWaalsContact CE2-CD2 3.4Å; Y227-Y231 AromaticContact CE2-CE2 3.83Å; Y227-Y231 HydrophobicContact CE2-CE2 3.83Å; Y227-Y231 HydrophobicContact CE2-CG 4.15Å; Y227-Y231 HydrophobicContact CG-CD2 4.19Å; Y227-Y231 AromaticContact CZ-CD2 3.97Å; Y227-Y231 PolarHBondContact O-N 2.87Å |
| 228 | C | 89.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.4 | -26.6 | 178.5 | -65.3 | 0 | 0 | 0 | 0 | 112.8 | I189 I191 T224 R225 D226 R232 | I189-C228 HydrophobicContact CG2-CB 4.05Å; I191-C228 HydrophobicContact CD1-CB 3.61Å; I191-C228 HydrophobicContact CG1-CB 4.27Å; T224-C228 PolarHBondContact O-N 2.76Å; T224-C228 PolarHBondContact O-SG 2.97Å; R225-C228 PolarHBondContact O-N 3.22Å; D226-C228 VanDerWaalsContact C-N 3.31Å; D226-C228 PolarHBondContact O-N 3.33Å; C228-R232 WeakPolarHBondContact O-CA 2.97Å; C228-R232 WeakPolarHBondContact O-CB 3.45Å; C228-R232 WeakPolarHBondContact O-CG 3.34Å; C228-R232 PolarHBondContact O-N 3.34Å |
| 229 | T | 85.9 | Confident | 85.2 | Confident | 54 Ų | 54 | 70.9 Ų | 70.9 | 33% | 0.331 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -82.3 | -40.2 | 179 | -55.3 | 0 | 0 | 0 | 0 | 111 | R225 D226 Y227 | R225-T229 WeakPolarHBondContact O-CB 3.19Å; R225-T229 PolarHBondContact O-N 3.09Å; R225-T229 PolarHBondContact O-OG1 2.88Å; D226-T229 PolarHBondContact O-N 3.3Å; Y227-T229 PolarHBondContact O-N 2.83Å |
| 230 | E | 86.3 | Confident | 85.5 | Confident | 131 Ų | 131 | 72.9 Ų | 72.9 | 61% | 0.612 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66.5 | -54.6 | 177.1 | -171.4 | -175.9 | 163.5 | 0 | 0 | 111.7 | D226 Y227 R232 | D226-E230 WeakPolarHBondContact O-CB 2.96Å; D226-E230 PolarHBondContact O-N 3.19Å; Y227-E230 PolarHBondContact O-N 3.07Å; E230-R232 VanDerWaalsContact C-N 3.29Å; E230-R232 PolarHBondContact O-N 3.08Å |
| 231 | Y | 87.9 | Confident | 85.9 | Confident | 55 Ų | 55 | 68.6 Ų | 68.6 | 22% | 0.216 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 22.5 | -176.6 | -63.8 | -78.3 | 0 | 0 | 0 | 113.5 | Y227 L233 G234 | Y227-Y231 AromaticContact CD2-CD2 3.53Å; Y227-Y231 HydrophobicContact CD2-CD2 3.53Å; Y227-Y231 AromaticContact CD2-CE2 3.9Å; Y227-Y231 HydrophobicContact CD2-CE2 3.9Å; Y227-Y231 AromaticContact CE2-CD2 3.4Å; Y227-Y231 HydrophobicContact CE2-CD2 3.4Å; Y227-Y231 VanDerWaalsContact CE2-CD2 3.4Å; Y227-Y231 AromaticContact CE2-CE2 3.83Å; Y227-Y231 HydrophobicContact CE2-CE2 3.83Å; Y227-Y231 HydrophobicContact CE2-CG 4.15Å; Y227-Y231 HydrophobicContact CG-CD2 4.19Å; Y227-Y231 AromaticContact CZ-CD2 3.97Å; Y227-Y231 PolarHBondContact O-N 2.87Å; Y231-L233 PolarHBondContact O-N 3.49Å; Y231-G234 CarbonylContact C-O 3.57Å; Y231-G234 PolarHBondContact O-N 2.92Å |
| 232 | R | 88.8 | Confident | 86.1 | Confident | 7 Ų | 7 | 68.1 Ų | 68.1 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -35 | -173.4 | -149.3 | -176.8 | 155.7 | 139.7 | 4.8 | 112.9 | I129 S130 W131 E133 I189 C228 E230 G234 | I129-R232 PolarHBondContact O-NH2 3.06Å; S130-R232 PolarHBondContact O-NH1 3.5Å; S130-R232 PolarHBondContact O-NH2 3.23Å; W131-R232 HydrophobicContact CE3-CB 4.38Å; W131-R232 HydrophobicContact CE3-CG 3.86Å; W131-R232 HydrophobicContact CH2-CG 4.24Å; W131-R232 WeakPolarHBondContact CH2-O 3.26Å; W131-R232 HydrophobicContact CZ3-CB 3.81Å; W131-R232 HydrophobicContact CZ3-CG 3.36Å; W131-R232 WeakPolarHBondContact CZ3-O 3.39Å; E133-R232 IonicContact OE1-NH1 3.71Å; E133-R232 PolarHBondContact OE1-NH1 3.48Å; I189-R232 HydrophobicContact CB-CG 4.48Å; I189-R232 PolarHBondContact N-O 3.32Å; I189-R232 WeakPolarHBondContact O-CG 3.45Å; C228-R232 WeakPolarHBondContact O-CA 2.97Å; C228-R232 WeakPolarHBondContact O-CB 3.45Å; C228-R232 WeakPolarHBondContact O-CG 3.34Å; C228-R232 PolarHBondContact O-N 3.34Å; E230-R232 VanDerWaalsContact C-N 3.29Å; E230-R232 PolarHBondContact O-N 3.08Å; R232-G234 VanDerWaalsContact C-N 3.28Å; R232-G234 PolarHBondContact O-N 3.34Å |
| 233 | L | 88.3 | Confident | 86.1 | Confident | 23 Ų | 23 | 65 Ų | 65 | 12% | 0.12 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -87.2 | 8.5 | -179.7 | -65.7 | 170.4 | 0 | 0 | 0 | 113.4 | W131 F186 H188 Y231 P286 A289 | W131-L233 HydrophobicContact CE3-CD2 4.02Å; W131-L233 HydrophobicContact CH2-CD2 4.18Å; W131-L233 HydrophobicContact CZ3-CD2 3.68Å; W131-L233 HydrophobicContact CZ3-CG 4.26Å; F186-L233 WeakPolarHBondContact CE1-O 3.29Å; H188-L233 PolarHBondContact CE1-O 3.31Å; H188-L233 VanDerWaalsContact ND1-C 3.28Å; H188-L233 PolarHBondContact ND1-O 3.45Å; H188-L233 VanDerWaalsContact ND1-O 3.09Å; Y231-L233 PolarHBondContact O-N 3.49Å; L233-P286 HydrophobicContact CD1-CB 3.59Å; L233-P286 HydrophobicContact CD1-CG 4.44Å; L233-A289 HydrophobicContact CB-CB 4.22Å |
| 234 | G | 88.2 | Confident | 85.9 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 109.7 | -175.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F186 Y231 R232 V236 | F186-G234 WeakPolarHBondContact O-CA 3.25Å; Y231-G234 CarbonylContact C-O 3.57Å; Y231-G234 PolarHBondContact O-N 2.92Å; R232-G234 VanDerWaalsContact C-N 3.28Å; R232-G234 PolarHBondContact O-N 3.34Å; G234-V236 PolarHBondContact O-N 3.34Å |
| 235 | K | 83.4 | Confident | 85.6 | Confident | 151 Ų | 151 | 65.6 Ų | 65.6 | 66% | 0.657 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -75.3 | 65.9 | -179.3 | -63.8 | 178.1 | -177.6 | 172.4 | 0 | 111.4 | F186 | F186-K235 PolarHBondContact O-N 3.24Š|
| 236 | V | 82.9 | Confident | 85.7 | Confident | 12 Ų | 12 | 67.7 Ų | 67.7 | 7% | 0.073 | 33% | 0.334 | C | S | . | . | trans | -126.9 | 130 | -170.2 | -171.6 | 0 | 0 | 0 | 0 | 110.3 | F186 G234 H240 L241 L275 | F186-V236 HydrophobicContact CE1-CG2 3.41Å; F186-V236 VanDerWaalsContact CE1-CG2 3.41Å; F186-V236 HydrophobicContact CE2-CG2 4.41Å; F186-V236 HydrophobicContact CZ-CG2 3.26Å; G234-V236 PolarHBondContact O-N 3.34Å; V236-H240 HydrophobicContact CG1-CB 3.48Å; V236-H240 VanDerWaalsContact CG1-CB 3.48Å; V236-L241 HydrophobicContact CG1-CD2 3.7Å; V236-L241 HydrophobicContact CG1-CG 3.95Å; V236-L275 HydrophobicContact CB-CD1 4.34Å; V236-L275 HydrophobicContact CG1-CD1 3.46Å; V236-L275 VanDerWaalsContact CG1-CD1 3.46Å; V236-L275 HydrophobicContact CG2-CD1 3.8Å | ||
| 237 | N | 80.8 | Confident | 86 | Confident | 82 Ų | 82 | 62.7 Ų | 62.7 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | trans | -87.5 | 165.6 | 173.5 | -61.4 | -4.6 | 0 | 0 | 0 | 110.7 | D239 H240 | N237-D239 PolarHBondContact O-N 2.75Å; N237-H240 PolarHBondContact N-ND1 3.27Å; N237-H240 PolarHBondContact O-N 2.84Å | ||
| 238 | Q | 79.1 | Confident | 86.2 | Confident | 171 Ų | 171 | 62.8 Ų | 62.8 | 80% | 0.799 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -58.3 | -34.6 | 178.9 | -68.7 | -173 | -1.3 | 0 | 0 | 113.1 | H240 L241 | Q238-H240 VanDerWaalsContact C-N 3.35Å; Q238-H240 PolarHBondContact O-N 2.86Å; Q238-L241 WeakPolarHBondContact O-CB 3.43Å; Q238-L241 PolarHBondContact O-N 3.05Å |
| 239 | D | 80.9 | Confident | 86.6 | Confident | 124 Ų | 124 | 62.8 Ų | 62.8 | 66% | 0.663 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -63.8 | -38.5 | 179.9 | -58.7 | -25.7 | 0 | 0 | 0 | 112.7 | N237 L241 I242 | N237-D239 PolarHBondContact O-N 2.75Å; D239-L241 PolarHBondContact O-N 2.97Å; D239-I242 WeakPolarHBondContact O-CG1 3.31Å; D239-I242 PolarHBondContact O-N 2.94Å |
| 240 | H | 83 | Confident | 87.1 | Confident | 80 Ų | 80 | 63.5 Ų | 63.5 | 37% | 0.37 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -68.1 | -14.6 | 177.2 | -60.6 | 145.9 | 0 | 0 | 0 | 113 | V236 N237 Q238 T272 L275 | V236-H240 HydrophobicContact CG1-CB 3.48Å; V236-H240 VanDerWaalsContact CG1-CB 3.48Å; N237-H240 PolarHBondContact N-ND1 3.27Å; N237-H240 PolarHBondContact O-N 2.84Å; Q238-H240 VanDerWaalsContact C-N 3.35Å; Q238-H240 PolarHBondContact O-N 2.86Å; H240-T272 WeakPolarHBondContact O-CB 3.43Å; H240-T272 WeakPolarHBondContact O-CG2 3.38Å; H240-T272 PolarHBondContact O-OG1 3.05Å; H240-L275 HydrophobicContact CB-CD1 4.21Å |
| 241 | L | 86.1 | Confident | 87.5 | Confident | 31 Ų | 31 | 59 Ų | 59 | 16% | 0.162 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -88.6 | -4.9 | -179.9 | -61.1 | 176.6 | 0 | 0 | 0 | 112.9 | V236 Q238 D239 S243 L277 R279 P286 | V236-L241 HydrophobicContact CG1-CD2 3.7Å; V236-L241 HydrophobicContact CG1-CG 3.95Å; Q238-L241 WeakPolarHBondContact O-CB 3.43Å; Q238-L241 PolarHBondContact O-N 3.05Å; D239-L241 PolarHBondContact O-N 2.97Å; L241-S243 PolarHBondContact O-N 2.97Å; L241-L277 HydrophobicContact CB-CD1 4.32Å; L241-L277 HydrophobicContact CD2-CD1 3.98Å; L241-L277 HydrophobicContact CD2-CD2 3.76Å; L241-L277 WeakPolarHBondContact O-CD1 3.34Å; L241-R279 PolarHBondContact O-NH2 2.83Å; L241-P286 HydrophobicContact CD1-CG 4.42Å |
| 242 | I | 86.8 | Confident | 87.6 | Confident | 109 Ų | 109 | 58.4 Ų | 58.4 | 56% | 0.559 | 30% | 0.295 | S | S | * | . | trans | -68.9 | 117.3 | -179.6 | -60.5 | 171.5 | 0 | 0 | 0 | 109.6 | D239 T272 | D239-I242 WeakPolarHBondContact O-CG1 3.31Å; D239-I242 PolarHBondContact O-N 2.94Å; I242-T272 VanDerWaalsContact O-CG2 3.28Å; I242-T272 WeakPolarHBondContact O-CG2 3.46Å | ||
| 243 | S | 86.8 | Confident | 87.1 | Confident | 25 Ų | 25 | 58.9 Ų | 58.9 | 18% | 0.175 | 30% | 0.299 | C | S | . | . | trans | -67.6 | 131.7 | 178 | -56.5 | 0 | 0 | 0 | 0 | 110.9 | L241 E246 C270 R279 Y284 | L241-S243 PolarHBondContact O-N 2.97Å; S243-E246 WeakPolarHBondContact CB-OE1 3.44Å; S243-E246 PolarHBondContact OG-OE1 2.75Å; S243-C270 VanDerWaalsContact OG-CB 3.27Å; S243-C270 WeakPolarHBondContact OG-CB 3.2Å; S243-C270 PolarHBondContact OG-SG 3.11Å; S243-C270 VanDerWaalsContact OG-SG 3.37Å; S243-R279 PolarHBondContact OG-NE 3.38Å; S243-Y284 PolarHBondContact OG-OH 3.33Å | ||
| 244 | Q | 81.9 | Confident | 86.1 | Confident | 48 Ų | 48 | 62.5 Ų | 62.5 | 22% | 0.224 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -102.6 | -33 | 173.8 | -61.1 | 175.8 | -36.3 | 0 | 0 | 112.1 | L271 T272 D672 R674 | Q244-L271 WeakPolarHBondContact CB-O 3.31Å; Q244-L271 PolarHBondContact N-O 3.41Å; Q244-T272 PolarHBondContact OE1-O 2.88Å; Q244-D672 VanDerWaalsContact CD-CG 3.49Å; Q244-D672 HydrophobicContact CG-CB 4.42Å; Q244-D672 PolarHBondContact NE2-OD1 2.94Å; Q244-R674 VanDerWaalsContact CD-NH2 3.32Å |
| 245 | A | 85.2 | Confident | 85 | Confident | 23 Ų | 23 | 67.6 Ų | 67.6 | 19% | 0.19 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 145.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | F247 C270 L271 | A245-F247 HydrophobicContact CB-CE2 4.02Å; A245-C270 CarbonylContact O-C 3.59Å; A245-C270 VanDerWaalsContact O-CA 3.25Å; A245-C270 WeakPolarHBondContact O-CA 3.49Å; A245-L271 HydrophobicContact CB-CB 4.34Å; A245-L271 HydrophobicContact CB-CD1 4.36Å; A245-L271 PolarHBondContact N-O 2.97Å; A245-L271 PolarHBondContact O-N 3.18Å |
| 246 | E | 91.2 | Very high | 83.8 | Confident | 84 Ų | 84 | 65.9 Ų | 65.9 | 39% | 0.393 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 135.5 | -174.5 | -55.4 | -168 | 144.5 | 0 | 0 | 111.1 | S243 L268 M269 C270 Y284 | S243-E246 WeakPolarHBondContact CB-OE1 3.44Å; S243-E246 PolarHBondContact OG-OE1 2.75Å; E246-L268 HydrophobicContact CB-CD1 3.96Å; E246-L268 HydrophobicContact CB-CD2 4.46Å; E246-L268 HydrophobicContact CB-CG 4.21Å; E246-M269 WeakPolarHBondContact CA-O 3.16Å; E246-C270 HydrophobicContact CG-CB 4.4Å; E246-Y284 WeakPolarHBondContact OE1-CE2 3.34Å; E246-Y284 PolarHBondContact OE1-OH 3.44Å |
| 247 | F | 93.5 | Very high | 82.1 | Confident | 15 Ų | 15 | 65.9 Ų | 65.9 | 7% | 0.066 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 128.1 | 179.8 | -61.9 | -90.4 | 0 | 0 | 0 | 110.4 | A245 V249 M269 L271 L328 P621 | A245-F247 HydrophobicContact CB-CE2 4.02Å; F247-V249 HydrophobicContact CB-CG1 4.44Å; F247-V249 PolarHBondContact O-N 3.12Å; F247-M269 PolarHBondContact N-O 2.86Å; F247-M269 PolarHBondContact O-N 3.11Å; F247-L271 HydrophobicContact CE2-CD1 4.27Å; F247-L328 HydrophobicContact CB-CD1 3.57Å; F247-L328 HydrophobicContact CB-CG 4.08Å; F247-L328 HydrophobicContact CD1-CB 3.87Å; F247-L328 HydrophobicContact CD1-CD1 4.3Å; F247-L328 HydrophobicContact CD1-CG 4.1Å; F247-L328 HydrophobicContact CD2-CD1 4.44Å; F247-L328 HydrophobicContact CD2-CG 4.02Å; F247-L328 HydrophobicContact CE1-CB 4.11Å; F247-L328 HydrophobicContact CG-CB 4.11Å; F247-L328 HydrophobicContact CG-CD1 3.87Å; F247-L328 HydrophobicContact CG-CG 3.8Å; F247-P621 HydrophobicContact CE1-CB 4.45Å |
| 248 | T | 95.1 | Very high | 80.7 | Confident | 92 Ų | 92 | 64.3 Ų | 64.3 | 56% | 0.564 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 125.4 | 171 | -55.5 | 0 | 0 | 0 | 0 | 109.7 | S322 | T248-S322 PolarHBondContact O-OG 2.82Å |
| 249 | V | 96.6 | Very high | 79.5 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.006 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 153.1 | -179.2 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | F247 R267 M269 F308 Y320 F321 L328 | F247-V249 HydrophobicContact CB-CG1 4.44Å; F247-V249 PolarHBondContact O-N 3.12Å; V249-R267 HydrophobicContact CG2-CB 3.93Å; V249-R267 PolarHBondContact N-O 3.25Å; V249-R267 PolarHBondContact O-N 3.27Å; V249-R267 VanDerWaalsContact O-O 3.12Å; V249-M269 HydrophobicContact CG1-CB 4.04Å; V249-M269 HydrophobicContact CG1-SD 4.42Å; V249-M269 HydrophobicContact CG2-CB 3.9Å; V249-M269 HydrophobicContact CG2-CE 4.39Å; V249-F308 HydrophobicContact CG1-CZ 4.31Å; V249-Y320 HydrophobicContact CB-CD1 4.26Å; V249-Y320 HydrophobicContact CG2-CD1 3.7Å; V249-Y320 HydrophobicContact CG2-CE1 4.29Å; V249-F321 CarbonylContact C-O 3.48Å; V249-F321 WeakPolarHBondContact CA-O 3.26Å; V249-L328 HydrophobicContact CG1-CD1 3.55Å |
| 250 | Q | 95.7 | Very high | 78.1 | Confident | 69 Ų | 69 | 63.3 Ų | 63.3 | 32% | 0.322 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 102.3 | 171.4 | -65.2 | -62.2 | -29.1 | 0 | 0 | 108.6 | T264 S266 Y320 F321 | Q250-T264 HydrophobicContact CB-CG2 4.36Å; Q250-S266 VanDerWaalsContact OE1-N 3.13Å; Q250-Y320 CarbonylContact O-C 3.6Å; Q250-Y320 VanDerWaalsContact O-CA 3.31Å; Q250-Y320 WeakPolarHBondContact O-CA 3.47Å; Q250-F321 HydrophobicContact CB-CB 4.17Å; Q250-F321 PolarHBondContact N-O 3.49Å; Q250-F321 PolarHBondContact O-N 2.89Å |
| 251 | K | 94.4 | Very high | 76.8 | Confident | 37 Ų | 37 | 66.5 Ų | 66.5 | 16% | 0.161 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 129 | -179.9 | -179.5 | 173.2 | -176.8 | 160.2 | 0 | 110.5 | T264 V265 R267 E278 Y320 | K251-T264 CarbonylContact O-C 3.58Å; K251-T264 VanDerWaalsContact O-CA 3.3Å; K251-T264 WeakPolarHBondContact O-CA 3.46Å; K251-V265 PolarHBondContact N-O 3.06Å; K251-V265 PolarHBondContact O-N 3.15Å; K251-R267 HydrophobicContact CB-CG 3.98Å; K251-E278 WeakPolarHBondContact CD-OE1 3.38Å; K251-E278 WeakPolarHBondContact CD-OE2 3.41Å; K251-E278 WeakPolarHBondContact CE-OE1 3.28Å; K251-E278 IonicContact NZ-OE1 3.76Å; K251-E278 PolarHBondContact NZ-OE1 3.09Å; K251-E278 IonicContact NZ-OE2 2.85Å; K251-E278 PolarHBondContact NZ-OE2 3.44Å; K251-Y320 HydrophobicContact CB-CD1 3.7Å; K251-Y320 HydrophobicContact CB-CE1 3.77Å; K251-Y320 HydrophobicContact CD-CE1 3.77Å; K251-Y320 HydrophobicContact CG-CD1 3.97Å; K251-Y320 HydrophobicContact CG-CE1 3.67Å |
| 252 | L | 90.1 | Very high | 75.8 | Confident | 42 Ų | 42 | 69.1 Ų | 69.1 | 22% | 0.22 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 124.3 | 170.7 | -165 | 66.4 | 0 | 0 | 0 | 109.5 | M262 T264 T319 | L252-M262 HydrophobicContact CD1-CB 3.72Å; L252-M262 HydrophobicContact CD1-SD 4.23Å; L252-M262 HydrophobicContact CD2-SD 3.64Å; L252-M262 HydrophobicContact CG-CB 4.25Å; L252-M262 HydrophobicContact CG-SD 3.9Å; L252-T264 HydrophobicContact CD1-CG2 4.16Å; L252-T319 HydrophobicContact CB-CG2 4.4Å; L252-T319 WeakPolarHBondContact CB-O 3.16Å; L252-T319 HydrophobicContact CD2-CG2 4.16Å; L252-T319 PolarHBondContact N-O 3.47Å |
| 253 | S | 79.2 | Confident | 75.4 | Confident | 16 Ų | 16 | 69.6 Ų | 69.6 | 11% | 0.112 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 129.1 | -174 | 178.9 | 0 | 0 | 0 | 0 | 112.9 | R255 Y256 K263 | S253-R255 VanDerWaalsContact C-N 3.29Å; S253-R255 PolarHBondContact O-N 2.91Å; S253-R255 PolarHBondContact OG-N 2.94Å; S253-Y256 WeakPolarHBondContact OG-CD2 3.37Å; S253-K263 PolarHBondContact N-O 2.85Å; S253-K263 VanDerWaalsContact N-O 3.13Å |
| 254 | N | 67.2 | Low | 75.4 | Confident | 99 Ų | 99 | 71.8 Ų | 71.8 | 53% | 0.529 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -68.6 | -26.3 | 174 | -72.1 | 3.6 | 0 | 0 | 0 | 113 | Y256 G257 M262 | N254-Y256 PolarHBondContact O-N 3.29Å; N254-G257 PolarHBondContact O-N 3.13Å; N254-M262 WeakPolarHBondContact OD1-CE 3.27Å |
| 255 | R | 65.6 | Low | 75.8 | Confident | 108 Ų | 108 | 71 Ų | 71 | 41% | 0.408 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -66.2 | -21.8 | -173.7 | -83 | -173.7 | -76.1 | 170.2 | -5.8 | 114.8 | S253 | S253-R255 VanDerWaalsContact C-N 3.29Å; S253-R255 PolarHBondContact O-N 2.91Å; S253-R255 PolarHBondContact OG-N 2.94Å |
| 256 | Y | 57.1 | Low | 76.2 | Confident | 115 Ų | 115 | 71.8 Ų | 71.8 | 45% | 0.451 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -109.1 | 0.6 | -175.5 | -57.4 | -82.2 | 0 | 0 | 0 | 112.5 | S253 N254 K263 V265 | S253-Y256 WeakPolarHBondContact OG-CD2 3.37Å; N254-Y256 PolarHBondContact O-N 3.29Å; Y256-K263 WeakPolarHBondContact O-CD 3.22Å; Y256-V265 HydrophobicContact CD2-CG2 3.33Å; Y256-V265 HydrophobicContact CE2-CG2 3.58Å; Y256-V265 HydrophobicContact CG-CG2 3.99Å |
| 257 | G | 47.9 | Very low | 76.4 | Confident | 12 Ų | 12 | 68.6 Ų | 68.6 | 12% | 0.124 | 36% | 0.364 | C | S | . | . | trans | -79.9 | 139 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | N254 Q261 | N254-G257 PolarHBondContact O-N 3.13Å; G257-Q261 WeakPolarHBondContact CA-O 3.48Å | ||
| 258 | G | 51.6 | Low | 76.5 | Confident | 50 Ų | 50 | 69 Ų | 69 | 52% | 0.515 | 37% | 0.366 | S | S | . | . | trans | -69.2 | 177.5 | 151.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | N260 Q261 | G258-N260 PolarHBondContact O-N 3.38Å; G258-Q261 PolarHBondContact O-N 3.01Å; G258-Q261 VanDerWaalsContact O-N 3.07Å | ||
| 259 | T | 53.2 | Low | 76.6 | Confident | 121 Ų | 121 | 64.7 Ų | 64.7 | 74% | 0.742 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 0.4 | -164.6 | 48.4 | 0 | 0 | 0 | 0 | 119.1 | ||
| 260 | N | 52.1 | Low | 76.4 | Confident | 153 Ų | 153 | 64.6 Ų | 64.6 | 82% | 0.818 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -162.5 | 11.1 | 162 | -101.2 | -22.8 | 0 | 0 | 0 | 115.4 | G258 | G258-N260 PolarHBondContact O-N 3.38Š|
| 261 | Q | 56.4 | Low | 76.3 | Confident | 146 Ų | 146 | 61.5 Ų | 61.5 | 68% | 0.682 | 33% | 0.325 | S | S | * | . | trans | -108.1 | 99.6 | -179.2 | -76.7 | -178.8 | -1.6 | 0 | 0 | 110.4 | G257 G258 K263 | G257-Q261 WeakPolarHBondContact CA-O 3.48Å; G258-Q261 PolarHBondContact O-N 3.01Å; G258-Q261 VanDerWaalsContact O-N 3.07Å; Q261-K263 PolarHBondContact O-N 2.75Å | ||
| 262 | M | 63.5 | Low | 76 | Confident | 87 Ų | 87 | 60 Ų | 60 | 43% | 0.429 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 125.1 | 169.6 | -74.1 | 178.6 | 156.4 | 0 | 0 | 109.8 | L252 N254 | L252-M262 HydrophobicContact CD1-CB 3.72Å; L252-M262 HydrophobicContact CD1-SD 4.23Å; L252-M262 HydrophobicContact CD2-SD 3.64Å; L252-M262 HydrophobicContact CG-CB 4.25Å; L252-M262 HydrophobicContact CG-SD 3.9Å; N254-M262 WeakPolarHBondContact OD1-CE 3.27Å |
| 263 | K | 79.3 | Confident | 75.7 | Confident | 119 Ų | 119 | 63.2 Ų | 63.2 | 52% | 0.517 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 144.8 | 171.8 | -72.7 | -169.4 | -178.2 | 176.2 | 0 | 110.5 | S253 Y256 Q261 | S253-K263 PolarHBondContact N-O 2.85Å; S253-K263 VanDerWaalsContact N-O 3.13Å; Y256-K263 WeakPolarHBondContact O-CD 3.22Å; Q261-K263 PolarHBondContact O-N 2.75Å |
| 264 | T | 87.1 | Confident | 76.1 | Confident | 71 Ų | 71 | 64.8 Ų | 64.8 | 44% | 0.436 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 151.1 | 168.5 | 52.2 | 0 | 0 | 0 | 0 | 110.4 | Q250 K251 L252 F321 | Q250-T264 HydrophobicContact CB-CG2 4.36Å; K251-T264 CarbonylContact O-C 3.58Å; K251-T264 VanDerWaalsContact O-CA 3.3Å; K251-T264 WeakPolarHBondContact O-CA 3.46Å; L252-T264 HydrophobicContact CD1-CG2 4.16Å; T264-F321 HydrophobicContact CG2-CD2 4.14Å; T264-F321 HydrophobicContact CG2-CE2 4.18Å |
| 265 | V | 90.1 | Very high | 77.4 | Confident | 31 Ų | 31 | 60.2 Ų | 60.2 | 19% | 0.188 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 133.1 | 173.7 | -160.9 | 0 | 0 | 0 | 0 | 109.6 | K251 Y256 R267 | K251-V265 PolarHBondContact N-O 3.06Å; K251-V265 PolarHBondContact O-N 3.15Å; Y256-V265 HydrophobicContact CD2-CG2 3.33Å; Y256-V265 HydrophobicContact CE2-CG2 3.58Å; Y256-V265 HydrophobicContact CG-CG2 3.99Å; V265-R267 PolarHBondContact O-N 3.13Å |
| 266 | S | 94.2 | Very high | 78.8 | Confident | 40 Ų | 40 | 55.2 Ų | 55.2 | 28% | 0.28 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 130.9 | 176.7 | -165.3 | 0 | 0 | 0 | 0 | 110.8 | Q250 | Q250-S266 VanDerWaalsContact OE1-N 3.13Å |
| 267 | R | 94.7 | Very high | 80.6 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 6% | 0.064 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 148.6 | 176.7 | -66.9 | -67.5 | 178 | -97.6 | 3.2 | 109.1 | V249 K251 V265 | V249-R267 HydrophobicContact CG2-CB 3.93Å; V249-R267 PolarHBondContact N-O 3.25Å; V249-R267 PolarHBondContact O-N 3.27Å; V249-R267 VanDerWaalsContact O-O 3.12Å; K251-R267 HydrophobicContact CB-CG 3.98Å; V265-R267 PolarHBondContact O-N 3.13Å |
| 268 | L | 95.9 | Very high | 82.8 | Confident | 22 Ų | 22 | 49.4 Ų | 49.4 | 12% | 0.115 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 112.7 | 164.6 | -170.4 | 68.5 | 0 | 0 | 0 | 107.5 | E246 R279 Y284 | E246-L268 HydrophobicContact CB-CD1 3.96Å; E246-L268 HydrophobicContact CB-CD2 4.46Å; E246-L268 HydrophobicContact CB-CG 4.21Å; L268-R279 HydrophobicContact CB-CB 4.18Å; L268-R279 PolarHBondContact N-O 3.46Å; L268-R279 PolarHBondContact O-N 3.13Å; L268-Y284 HydrophobicContact CD2-CD2 3.97Å; L268-Y284 HydrophobicContact CD2-CE2 3.64Å |
| 269 | M | 96.1 | Very high | 84.8 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 117.8 | 177 | 179.5 | 172.8 | -80.7 | 0 | 0 | 108.4 | E246 F247 V249 L276 L277 F308 I310 Y320 L328 | E246-M269 WeakPolarHBondContact CA-O 3.16Å; F247-M269 PolarHBondContact N-O 2.86Å; F247-M269 PolarHBondContact O-N 3.11Å; V249-M269 HydrophobicContact CG1-CB 4.04Å; V249-M269 HydrophobicContact CG1-SD 4.42Å; V249-M269 HydrophobicContact CG2-CB 3.9Å; V249-M269 HydrophobicContact CG2-CE 4.39Å; M269-L276 HydrophobicContact CE-CD2 4.47Å; M269-L276 HydrophobicContact CG-CD1 3.58Å; M269-L276 HydrophobicContact SD-CD1 3.97Å; M269-L277 WeakPolarHBondContact CA-O 3.44Å; M269-F308 HydrophobicContact CE-CE2 4.49Å; M269-F308 HydrophobicContact CE-CZ 4.39Å; M269-F308 HydrophobicContact SD-CE2 4.43Å; M269-F308 HydrophobicContact SD-CZ 4.21Å; M269-I310 HydrophobicContact CE-CD1 4.15Å; M269-Y320 HydrophobicContact CE-CD1 3.78Å; M269-Y320 HydrophobicContact CE-CD2 3.92Å; M269-Y320 HydrophobicContact CE-CE1 3.45Å; M269-Y320 VanDerWaalsContact CE-CE1 3.45Å; M269-Y320 HydrophobicContact CE-CE2 3.64Å; M269-Y320 HydrophobicContact CE-CG 4Å; M269-L328 HydrophobicContact SD-CD1 4.11Å; M269-L328 HydrophobicContact SD-CD2 4.05Å |
| 270 | C | 94 | Very high | 86.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 132.9 | -174.5 | -48.6 | 0 | 0 | 0 | 0 | 110.7 | S243 A245 E246 L277 | S243-C270 VanDerWaalsContact OG-CB 3.27Å; S243-C270 WeakPolarHBondContact OG-CB 3.2Å; S243-C270 PolarHBondContact OG-SG 3.11Å; S243-C270 VanDerWaalsContact OG-SG 3.37Å; A245-C270 CarbonylContact O-C 3.59Å; A245-C270 VanDerWaalsContact O-CA 3.25Å; A245-C270 WeakPolarHBondContact O-CA 3.49Å; E246-C270 HydrophobicContact CG-CB 4.4Å; C270-L277 HydrophobicContact CB-CB 4.16Å; C270-L277 PolarHBondContact N-O 3.07Å; C270-L277 PolarHBondContact O-N 3.46Å |
| 271 | L | 91.7 | Very high | 88.5 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 130.4 | 171.1 | -61.4 | 174.6 | 0 | 0 | 0 | 109 | Q244 A245 F247 L276 L292 L332 | Q244-L271 WeakPolarHBondContact CB-O 3.31Å; Q244-L271 PolarHBondContact N-O 3.41Å; A245-L271 HydrophobicContact CB-CB 4.34Å; A245-L271 HydrophobicContact CB-CD1 4.36Å; A245-L271 PolarHBondContact N-O 2.97Å; A245-L271 PolarHBondContact O-N 3.18Å; F247-L271 HydrophobicContact CE2-CD1 4.27Å; L271-L276 HydrophobicContact CD2-CD1 3.64Å; L271-L292 HydrophobicContact CD2-CD2 4.18Å; L271-L332 HydrophobicContact CD2-CD1 3.55Å |
| 272 | T | 89.4 | Confident | 90.1 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.025 | 21% | 0.213 | C | C | . | . | trans | -112.9 | -171.9 | 167.2 | 80.7 | 0 | 0 | 0 | 0 | 109.5 | H240 I242 Q244 S274 L275 L277 | H240-T272 WeakPolarHBondContact O-CB 3.43Å; H240-T272 WeakPolarHBondContact O-CG2 3.38Å; H240-T272 PolarHBondContact O-OG1 3.05Å; I242-T272 VanDerWaalsContact O-CG2 3.28Å; I242-T272 WeakPolarHBondContact O-CG2 3.46Å; Q244-T272 PolarHBondContact OE1-O 2.88Å; T272-S274 PolarHBondContact O-N 3.07Å; T272-S274 PolarHBondContact OG1-N 2.95Å; T272-L275 PolarHBondContact N-O 3.22Å; T272-L275 WeakPolarHBondContact OG1-CB 3.45Å; T272-L275 PolarHBondContact OG1-N 2.95Å; T272-L275 PolarHBondContact OG1-O 3.31Å; T272-L277 HydrophobicContact CG2-CD1 3.52Å; T272-L277 HydrophobicContact CG2-CG 3.95Å | ||
| 273 | E | 83.6 | Confident | 91.4 | Very high | 110 Ų | 110 | 38.2 Ų | 38.2 | 51% | 0.514 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -61 | -35.6 | 178.1 | -64.3 | -175.4 | 171.6 | 0 | 0 | 112.6 | ||
| 274 | S | 88.4 | Confident | 91.9 | Very high | 49 Ų | 49 | 37.5 Ų | 37.5 | 34% | 0.343 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -132.5 | -10.2 | -171.6 | 59.6 | 0 | 0 | 0 | 0 | 114.1 | T272 L292 | T272-S274 PolarHBondContact O-N 3.07Å; T272-S274 PolarHBondContact OG1-N 2.95Å; S274-L292 PolarHBondContact O-N 3.43Å |
| 275 | L | 93.6 | Very high | 92 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 147.6 | -173.6 | -52.3 | 175.1 | 0 | 0 | 0 | 113 | F186 V236 H240 T272 L277 H290 | F186-L275 HydrophobicContact CE1-CD2 4.02Å; F186-L275 HydrophobicContact CE2-CD2 4.19Å; F186-L275 HydrophobicContact CZ-CD1 4.49Å; F186-L275 HydrophobicContact CZ-CD2 3.44Å; F186-L275 VanDerWaalsContact CZ-CD2 3.44Å; V236-L275 HydrophobicContact CB-CD1 4.34Å; V236-L275 HydrophobicContact CG1-CD1 3.46Å; V236-L275 VanDerWaalsContact CG1-CD1 3.46Å; V236-L275 HydrophobicContact CG2-CD1 3.8Å; H240-L275 HydrophobicContact CB-CD1 4.21Å; T272-L275 PolarHBondContact N-O 3.22Å; T272-L275 WeakPolarHBondContact OG1-CB 3.45Å; T272-L275 PolarHBondContact OG1-N 2.95Å; T272-L275 PolarHBondContact OG1-O 3.31Å; L275-L277 HydrophobicContact CB-CD2 3.96Å; L275-L277 HydrophobicContact CB-CG 4.38Å; L275-L277 HydrophobicContact CD1-CD2 4.18Å; L275-H290 CarbonylContact C-O 3.5Å; L275-H290 WeakPolarHBondContact CA-O 3.42Å |
| 276 | L | 95.4 | Very high | 92 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 112.7 | 161.1 | -178.6 | 65 | 0 | 0 | 0 | 108.7 | M269 L271 A289 H290 L292 I295 I310 L332 | M269-L276 HydrophobicContact CE-CD2 4.47Å; M269-L276 HydrophobicContact CG-CD1 3.58Å; M269-L276 HydrophobicContact SD-CD1 3.97Å; L271-L276 HydrophobicContact CD2-CD1 3.64Å; L276-A289 CarbonylContact O-C 3.43Å; L276-A289 WeakPolarHBondContact O-CA 3.5Å; L276-H290 PolarHBondContact N-O 3.35Å; L276-H290 PolarHBondContact O-N 2.99Å; L276-L292 HydrophobicContact CB-CD2 3.93Å; L276-I295 HydrophobicContact CD2-CD1 4.08Å; L276-I310 HydrophobicContact CD2-CD1 3.45Å; L276-I310 VanDerWaalsContact CD2-CD1 3.45Å; L276-L332 HydrophobicContact CD1-CD1 4.19Å; L276-L332 HydrophobicContact CD2-CD1 4.45Å |
| 277 | L | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 147.1 | -179.4 | -53.3 | 176.6 | 0 | 0 | 0 | 111.2 | L241 M269 C270 T272 L275 S288 A289 | L241-L277 HydrophobicContact CB-CD1 4.32Å; L241-L277 HydrophobicContact CD2-CD1 3.98Å; L241-L277 HydrophobicContact CD2-CD2 3.76Å; L241-L277 WeakPolarHBondContact O-CD1 3.34Å; M269-L277 WeakPolarHBondContact CA-O 3.44Å; C270-L277 HydrophobicContact CB-CB 4.16Å; C270-L277 PolarHBondContact N-O 3.07Å; C270-L277 PolarHBondContact O-N 3.46Å; T272-L277 HydrophobicContact CG2-CD1 3.52Å; T272-L277 HydrophobicContact CG2-CG 3.95Å; L275-L277 HydrophobicContact CB-CD2 3.96Å; L275-L277 HydrophobicContact CB-CG 4.38Å; L275-L277 HydrophobicContact CD1-CD2 4.18Å; L277-S288 WeakPolarHBondContact CA-O 3.23Å; L277-A289 HydrophobicContact CD2-CB 3.38Å |
| 278 | E | 94.3 | Very high | 91.4 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 2% | 0.023 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 121.2 | 163.3 | -66 | -178.9 | -177.3 | 0 | 0 | 108.7 | K251 I287 S288 Y320 | K251-E278 WeakPolarHBondContact CD-OE1 3.38Å; K251-E278 WeakPolarHBondContact CD-OE2 3.41Å; K251-E278 WeakPolarHBondContact CE-OE1 3.28Å; K251-E278 IonicContact NZ-OE1 3.76Å; K251-E278 PolarHBondContact NZ-OE1 3.09Å; K251-E278 IonicContact NZ-OE2 2.85Å; K251-E278 PolarHBondContact NZ-OE2 3.44Å; E278-I287 PolarHBondContact O-N 3.24Å; E278-S288 PolarHBondContact N-O 3.02Å; E278-S288 PolarHBondContact O-N 3.43Å; E278-Y320 WeakPolarHBondContact OE1-CE1 3.21Å; E278-Y320 PolarHBondContact OE1-OH 3.34Å |
| 279 | R | 93.6 | Very high | 91.3 | Very high | 20 Ų | 20 | 37.4 Ų | 37.4 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 151.3 | 173.7 | -66.1 | 179.3 | 177.6 | -91.1 | -0.7 | 111.1 | L241 S243 L268 Y284 R285 | L241-R279 PolarHBondContact O-NH2 2.83Å; S243-R279 PolarHBondContact OG-NE 3.38Å; L268-R279 HydrophobicContact CB-CB 4.18Å; L268-R279 PolarHBondContact N-O 3.46Å; L268-R279 PolarHBondContact O-N 3.13Å; R279-Y284 WeakPolarHBondContact CD-O 3.19Å; R279-Y284 PolarHBondContact NH1-O 2.9Å; R279-R285 WeakPolarHBondContact CA-O 2.83Å |
| 280 | D | 90.9 | Very high | 91.1 | Very high | 43 Ų | 43 | 39 Ų | 39 | 23% | 0.23 | 21% | 0.207 | C | C | . | . | trans | -71.5 | 122.5 | 165.6 | -171.5 | 27.9 | 0 | 0 | 0 | 109 | T282 S283 Y284 R285 I287 | D280-T282 PolarHBondContact O-N 3.17Å; D280-T282 PolarHBondContact OD2-OG1 2.79Å; D280-T282 VanDerWaalsContact OD2-OG1 3.08Å; D280-S283 VanDerWaalsContact CB-OG 3.3Å; D280-S283 WeakPolarHBondContact CB-OG 3.44Å; D280-S283 WeakPolarHBondContact OD2-CB 3.5Å; D280-S283 PolarHBondContact OD2-N 3.02Å; D280-S283 PolarHBondContact OD2-OG 3.22Å; D280-Y284 WeakPolarHBondContact O-CA 3.39Å; D280-Y284 PolarHBondContact O-N 3.18Å; D280-R285 PolarHBondContact N-O 3.27Å; D280-I287 HydrophobicContact CB-CD1 3.76Å; D280-I287 HydrophobicContact CB-CG1 4.17Å | ||
| 281 | P | 91.7 | Very high | 91.1 | Very high | 61 Ų | 61 | 39.4 Ų | 39.4 | 40% | 0.396 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -25.3 | -175.8 | 23.9 | -34.5 | 0 | 0 | 0 | 113.7 | ||
| 282 | T | 91 | Very high | 91.3 | Very high | 126 Ų | 126 | 39.2 Ų | 39.2 | 77% | 0.773 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -45.6 | -178.3 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | D280 | D280-T282 PolarHBondContact O-N 3.17Å; D280-T282 PolarHBondContact OD2-OG1 2.79Å; D280-T282 VanDerWaalsContact OD2-OG1 3.08Å |
| 283 | S | 90.2 | Very high | 91.5 | Very high | 72 Ų | 72 | 42.4 Ų | 42.4 | 50% | 0.503 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -8 | -179.3 | 64.5 | 0 | 0 | 0 | 0 | 114.2 | D280 R285 | D280-S283 VanDerWaalsContact CB-OG 3.3Å; D280-S283 WeakPolarHBondContact CB-OG 3.44Å; D280-S283 WeakPolarHBondContact OD2-CB 3.5Å; D280-S283 PolarHBondContact OD2-N 3.02Å; D280-S283 PolarHBondContact OD2-OG 3.22Å; S283-R285 PolarHBondContact O-N 2.97Å |
| 284 | Y | 90.7 | Very high | 91.9 | Very high | 104 Ų | 104 | 38.5 Ų | 38.5 | 41% | 0.408 | 21% | 0.213 | S | C | . | . | trans | 55.3 | 6.7 | -171.5 | -161.5 | -107 | 0 | 0 | 0 | 114.5 | S243 E246 L268 R279 D280 | S243-Y284 PolarHBondContact OG-OH 3.33Å; E246-Y284 WeakPolarHBondContact OE1-CE2 3.34Å; E246-Y284 PolarHBondContact OE1-OH 3.44Å; L268-Y284 HydrophobicContact CD2-CD2 3.97Å; L268-Y284 HydrophobicContact CD2-CE2 3.64Å; R279-Y284 WeakPolarHBondContact CD-O 3.19Å; R279-Y284 PolarHBondContact NH1-O 2.9Å; D280-Y284 WeakPolarHBondContact O-CA 3.39Å; D280-Y284 PolarHBondContact O-N 3.18Å | ||
| 285 | R | 88.7 | Confident | 92.3 | Very high | 108 Ų | 108 | 36.2 Ų | 36.2 | 41% | 0.408 | 20% | 0.196 | S | C | . | . | trans | -70.8 | 136 | -178.2 | -172.8 | 176.7 | 178 | 170.6 | 1.2 | 110.5 | W131 R279 D280 S283 I287 | W131-R285 PolarHBondContact O-NH1 3.34Å; W131-R285 PolarHBondContact O-NH2 3.28Å; R279-R285 WeakPolarHBondContact CA-O 2.83Å; D280-R285 PolarHBondContact N-O 3.27Å; S283-R285 PolarHBondContact O-N 2.97Å; R285-I287 PolarHBondContact O-N 3.21Å | ||
| 286 | P | 89.8 | Confident | 92.4 | Very high | 23 Ų | 23 | 37.4 Ų | 37.4 | 15% | 0.149 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 128.2 | 171.2 | -16.4 | 28.9 | 0 | 0 | 0 | 111.2 | L233 L241 | L233-P286 HydrophobicContact CD1-CB 3.59Å; L233-P286 HydrophobicContact CD1-CG 4.44Å; L241-P286 HydrophobicContact CD1-CG 4.42Å |
| 287 | I | 88.2 | Confident | 92.5 | Very high | 26 Ų | 26 | 37.3 Ų | 37.3 | 13% | 0.133 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -37.1 | 178.4 | -59.5 | 169.5 | 0 | 0 | 0 | 110.8 | E278 D280 R285 | E278-I287 PolarHBondContact O-N 3.24Å; D280-I287 HydrophobicContact CB-CD1 3.76Å; D280-I287 HydrophobicContact CB-CG1 4.17Å; R285-I287 PolarHBondContact O-N 3.21Å |
| 288 | S | 89.4 | Confident | 92.8 | Very high | 22 Ų | 22 | 37.3 Ų | 37.3 | 15% | 0.154 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 150.1 | -177.9 | -153.9 | 0 | 0 | 0 | 0 | 109.9 | L277 E278 H290 | L277-S288 WeakPolarHBondContact CA-O 3.23Å; E278-S288 PolarHBondContact N-O 3.02Å; E278-S288 PolarHBondContact O-N 3.43Å; S288-H290 PolarHBondContact OG-NE2 3.39Å; S288-H290 VanDerWaalsContact OG-NE2 3.1Å |
| 289 | A | 92 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 137.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | H188 L233 L276 L277 | H188-A289 PolarHBondContact CE1-O 3.07Å; H188-A289 PolarHBondContact NE2-O 2.86Å; H188-A289 VanDerWaalsContact NE2-O 3.12Å; L233-A289 HydrophobicContact CB-CB 4.22Å; L276-A289 CarbonylContact O-C 3.43Å; L276-A289 WeakPolarHBondContact O-CA 3.5Å; L277-A289 HydrophobicContact CD2-CB 3.38Å |
| 290 | H | 93.4 | Very high | 93.1 | Very high | 35 Ų | 35 | 37.6 Ų | 37.6 | 16% | 0.162 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 136.1 | 176.2 | -66.8 | -77.2 | 0 | 0 | 0 | 109.8 | L275 L276 S288 L292 Y312 | L275-H290 CarbonylContact C-O 3.5Å; L275-H290 WeakPolarHBondContact CA-O 3.42Å; L276-H290 PolarHBondContact N-O 3.35Å; L276-H290 PolarHBondContact O-N 2.99Å; S288-H290 PolarHBondContact OG-NE2 3.39Å; S288-H290 VanDerWaalsContact OG-NE2 3.1Å; H290-L292 PolarHBondContact O-N 3.36Å; H290-Y312 HydrophobicContact CB-CD1 4.48Å; H290-Y312 HydrophobicContact CB-CE1 3.6Å; H290-Y312 AromaticContact CG-CE1 3.84Å; H290-Y312 AromaticContact CG-CZ 3.83Å |
| 291 | P | 94.1 | Very high | 93.2 | Very high | 10 Ų | 10 | 37 Ų | 37 | 7% | 0.065 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 131.5 | 172.9 | -23.7 | 35 | 0 | 0 | 0 | 111.8 | F186 C293 E294 | F186-P291 HydrophobicContact CB-CG 4.16Å; F186-P291 HydrophobicContact CD1-CG 4.14Å; F186-P291 HydrophobicContact CD2-CG 3.26Å; F186-P291 HydrophobicContact CE1-CG 4.35Å; F186-P291 HydrophobicContact CE2-CG 3.54Å; F186-P291 HydrophobicContact CG-CG 3.59Å; F186-P291 HydrophobicContact CZ-CG 4.07Å; P291-C293 PolarHBondContact O-N 3.42Å; P291-E294 HydrophobicContact CB-CB 4.21Å; P291-E294 HydrophobicContact CB-CG 4.04Å; P291-E294 HydrophobicContact CG-CG 4.24Å; P291-E294 PolarHBondContact O-N 3.35Å; P291-E294 VanDerWaalsContact O-N 3.08Å |
| 292 | L | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -60.9 | -36.1 | 174.7 | -72.1 | 172.5 | 0 | 0 | 0 | 111 | L271 S274 L276 H290 E294 I295 L332 V336 | L271-L292 HydrophobicContact CD2-CD2 4.18Å; S274-L292 PolarHBondContact O-N 3.43Å; L276-L292 HydrophobicContact CB-CD2 3.93Å; H290-L292 PolarHBondContact O-N 3.36Å; L292-E294 PolarHBondContact O-N 2.86Å; L292-I295 HydrophobicContact CD2-CD1 4.06Å; L292-I295 WeakPolarHBondContact O-CB 3.09Å; L292-I295 PolarHBondContact O-N 3.12Å; L292-I295 VanDerWaalsContact O-N 3.12Å; L292-L332 HydrophobicContact CD2-CD1 3.82Å; L292-V336 HydrophobicContact CB-CG2 4.2Å; L292-V336 HydrophobicContact CD2-CG2 3.89Å; L292-V336 WeakPolarHBondContact O-CG1 3.42Å |
| 293 | C | 92.8 | Very high | 93.1 | Very high | 71 Ų | 71 | 36.5 Ų | 36.5 | 48% | 0.48 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -66.5 | -16.3 | 177.2 | 63 | 0 | 0 | 0 | 0 | 113.9 | P291 S339 N341 | P291-C293 PolarHBondContact O-N 3.42Å; C293-S339 PolarHBondContact N-OG 3.38Å; C293-N341 HydrophobicContact CB-CB 4.41Å; C293-N341 PolarHBondContact O-ND2 2.92Å |
| 294 | E | 93.6 | Very high | 93.2 | Very high | 28 Ų | 28 | 36.9 Ų | 36.9 | 13% | 0.131 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -89.4 | 0.5 | 175.1 | -73.9 | -165.5 | 153.4 | 0 | 0 | 113.4 | P291 L292 H296 Y312 V313 R314 | P291-E294 HydrophobicContact CB-CB 4.21Å; P291-E294 HydrophobicContact CB-CG 4.04Å; P291-E294 HydrophobicContact CG-CG 4.24Å; P291-E294 PolarHBondContact O-N 3.35Å; P291-E294 VanDerWaalsContact O-N 3.08Å; L292-E294 PolarHBondContact O-N 2.86Å; E294-H296 PolarHBondContact O-N 3.41Å; E294-Y312 WeakPolarHBondContact O-CA 3.25Å; E294-V313 HydrophobicContact CB-CG2 3.77Å; E294-V313 HydrophobicContact CG-CG2 3.98Å; E294-V313 VanDerWaalsContact O-CG2 3.29Å; E294-V313 WeakPolarHBondContact O-CG2 3.39Å; E294-V313 PolarHBondContact O-N 2.93Å; E294-R314 IonicContact OE1-CZ 2.7Å; E294-R314 IonicContact OE1-NE 3.18Å; E294-R314 PolarHBondContact OE1-NE 2.85Å; E294-R314 IonicContact OE1-NH2 3.67Å; E294-R314 PolarHBondContact OE1-NH2 2.95Å |
| 295 | I | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 119.2 | 174.5 | -65.2 | 177.6 | 0 | 0 | 0 | 109.5 | L276 L292 L298 I310 Y312 L332 V336 N341 V344 | L276-I295 HydrophobicContact CD2-CD1 4.08Å; L292-I295 HydrophobicContact CD2-CD1 4.06Å; L292-I295 WeakPolarHBondContact O-CB 3.09Å; L292-I295 PolarHBondContact O-N 3.12Å; L292-I295 VanDerWaalsContact O-N 3.12Å; I295-L298 HydrophobicContact CG2-CD2 3.78Å; I295-L298 HydrophobicContact CG2-CG 4.42Å; I295-I310 HydrophobicContact CB-CG2 4.49Å; I295-I310 HydrophobicContact CD1-CG2 4.08Å; I295-I310 HydrophobicContact CG1-CG2 3.95Å; I295-I310 HydrophobicContact CG2-CG2 3.89Å; I295-Y312 HydrophobicContact CD1-CE1 4.43Å; I295-Y312 HydrophobicContact CG1-CD1 4.02Å; I295-Y312 HydrophobicContact CG1-CE1 3.73Å; I295-L332 HydrophobicContact CD1-CD1 3.9Å; I295-V336 HydrophobicContact CB-CG1 4.41Å; I295-V336 HydrophobicContact CB-CG2 4.09Å; I295-V336 HydrophobicContact CD1-CG2 3.71Å; I295-V336 HydrophobicContact CG1-CG2 4.39Å; I295-V336 HydrophobicContact CG2-CG2 4.35Å; I295-N341 PolarHBondContact O-ND2 3.38Å; I295-V344 HydrophobicContact CG2-CG2 4.16Å |
| 296 | H | 95.5 | Very high | 93.4 | Very high | 30 Ų | 30 | 35 Ų | 35 | 14% | 0.139 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -50.5 | 178.9 | 174.5 | 58.4 | 0 | 0 | 0 | 112 | E294 E311 V313 L360 | E294-H296 PolarHBondContact O-N 3.41Å; H296-E311 WeakPolarHBondContact CA-O 3.5Å; H296-E311 WeakPolarHBondContact CB-O 3.26Å; H296-E311 PolarHBondContact N-O 2.97Å; H296-V313 HydrophobicContact CB-CG1 3.85Å; H296-L360 HydrophobicContact CB-CD2 4.15Å |
| 297 | L | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 137.7 | -170.3 | 172.6 | 61.6 | 0 | 0 | 0 | 111.1 | V299 E311 Y345 | L297-V299 HydrophobicContact CD2-CG2 3.85Å; L297-V299 HydrophobicContact CG-CG2 3.84Å; L297-E311 HydrophobicContact CB-CB 4.16Å; L297-E311 PolarHBondContact N-O 2.66Å; L297-E311 VanDerWaalsContact N-O 3.14Å; L297-E311 PolarHBondContact O-N 3.4Å; L297-Y345 HydrophobicContact CB-CE1 4.42Å; L297-Y345 HydrophobicContact CD1-CD1 3.95Å; L297-Y345 HydrophobicContact CD1-CD2 3.66Å; L297-Y345 HydrophobicContact CD1-CE1 3.73Å; L297-Y345 HydrophobicContact CD1-CE2 3.44Å; L297-Y345 VanDerWaalsContact CD1-CE2 3.44Å; L297-Y345 HydrophobicContact CD1-CG 3.9Å; L297-Y345 VanDerWaalsContact CD1-CZ 3.45Å; L297-Y345 WeakPolarHBondContact CD1-O 3.24Å |
| 298 | L | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 111 | 170.7 | -60.1 | -177.7 | 0 | 0 | 0 | 109.2 | I295 I310 L329 L332 L333 V344 Y345 V346 S347 | I295-L298 HydrophobicContact CG2-CD2 3.78Å; I295-L298 HydrophobicContact CG2-CG 4.42Å; L298-I310 HydrophobicContact CD2-CG1 4.12Å; L298-I310 HydrophobicContact CD2-CG2 4.32Å; L298-L329 HydrophobicContact CB-CD2 4.21Å; L298-L329 HydrophobicContact CD1-CD2 4.34Å; L298-L332 HydrophobicContact CD1-CB 4.43Å; L298-L332 HydrophobicContact CD1-CD2 4.14Å; L298-L332 HydrophobicContact CD1-CG 4.05Å; L298-L332 HydrophobicContact CD2-CD2 3.45Å; L298-L332 VanDerWaalsContact CD2-CD2 3.45Å; L298-L332 HydrophobicContact CD2-CG 4.05Å; L298-L332 HydrophobicContact CG-CD2 4.46Å; L298-L333 HydrophobicContact CD1-CB 4.2Å; L298-L333 HydrophobicContact CD1-CD1 4.44Å; L298-V344 HydrophobicContact CD1-CG2 4.31Å; L298-V344 HydrophobicContact CG-CG2 4.06Å; L298-Y345 PolarHBondContact N-O 3.42Å; L298-V346 HydrophobicContact CB-CG2 4.2Å; L298-V346 HydrophobicContact CD1-CG2 4.44Å; L298-V346 CarbonylContact O-C 3.21Å; L298-V346 VanDerWaalsContact O-CA 3.26Å; L298-V346 WeakPolarHBondContact O-CA 3.28Å; L298-S347 PolarHBondContact O-N 2.95Å |
| 299 | V | 98.1 | Very high | 94.6 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.03 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 113.7 | -177.8 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | L297 F308 S309 S347 F350 | L297-V299 HydrophobicContact CD2-CG2 3.85Å; L297-V299 HydrophobicContact CG-CG2 3.84Å; V299-F308 CarbonylContact O-C 3.55Å; V299-F308 WeakPolarHBondContact O-CA 3.38Å; V299-F308 WeakPolarHBondContact O-CB 3.32Å; V299-S309 PolarHBondContact N-O 2.82Å; V299-S309 PolarHBondContact O-N 3.08Å; V299-S347 CarbonylContact C-O 3.53Å; V299-S347 VanDerWaalsContact CA-O 3.28Å; V299-S347 WeakPolarHBondContact CA-O 3.47Å; V299-F350 HydrophobicContact CB-CD1 4.46Å; V299-F350 HydrophobicContact CB-CE1 4.21Å; V299-F350 HydrophobicContact CB-CZ 4.44Å; V299-F350 HydrophobicContact CG1-CD2 4.4Å; V299-F350 HydrophobicContact CG1-CE1 4.34Å; V299-F350 HydrophobicContact CG1-CE2 4.22Å; V299-F350 HydrophobicContact CG1-CZ 4.19Å; V299-F350 HydrophobicContact CG2-CD1 3.68Å; V299-F350 HydrophobicContact CG2-CE1 3.84Å; V299-F350 HydrophobicContact CG2-CG 4.2Å; V299-F350 HydrophobicContact CG2-CZ 4.49Å |
| 300 | R | 96.5 | Very high | 94.9 | Very high | 25 Ų | 25 | 34.2 Ų | 34.2 | 9% | 0.094 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 107 | 175.9 | -178.3 | -176.7 | -178 | -95.6 | 8.4 | 109 | R302 R325 D326 L329 V346 S347 S348 D516 | R300-R302 PolarHBondContact O-N 2.89Å; R300-R325 VanDerWaalsContact CG-CZ 3.5Å; R300-D326 IonicContact CZ-OD1 3.69Å; R300-D326 IonicContact CZ-OD2 3.83Å; R300-D326 IonicContact NE-OD1 2.98Å; R300-D326 PolarHBondContact NE-OD1 2.93Å; R300-D326 IonicContact NE-OD2 3.75Å; R300-D326 PolarHBondContact NE-OD2 3.17Å; R300-D326 IonicContact NH2-OD1 2.85Å; R300-D326 IonicContact NH2-OD2 3.19Å; R300-D326 PolarHBondContact NH2-OD2 3.3Å; R300-L329 HydrophobicContact CB-CD1 3.93Å; R300-L329 HydrophobicContact CG-CD1 4.07Å; R300-V346 HydrophobicContact CB-CG1 3.85Å; R300-S347 PolarHBondContact N-O 3.22Å; R300-S348 WeakPolarHBondContact O-CA 3.48Å; R300-D516 IonicContact NH2-OD2 2.84Å |
| 301 | D | 94 | Very high | 95.1 | Very high | 30 Ų | 30 | 33.1 Ų | 33.1 | 16% | 0.16 | 17% | 0.165 | C | C | . | . | trans | -63.2 | 129.8 | -177.6 | -166.9 | -45.8 | 0 | 0 | 0 | 111.2 | F303 Q304 R307 R325 | D301-F303 PolarHBondContact OD1-N 2.91Å; D301-Q304 HydrophobicContact CB-CB 4.48Å; D301-Q304 PolarHBondContact OD1-N 3.44Å; D301-R307 HydrophobicContact CB-CB 3.89Å; D301-R307 HydrophobicContact CB-CG 4.08Å; D301-R307 VanDerWaalsContact CB-O 3.29Å; D301-R307 WeakPolarHBondContact CB-O 3.38Å; D301-R307 PolarHBondContact N-O 3.4Å; D301-R307 VanDerWaalsContact OD2-CD 3.3Å; D301-R307 WeakPolarHBondContact OD2-CD 3.25Å; D301-R307 IonicContact OD2-NE 2.75Å; D301-R307 IonicContact OD2-NH1 3.51Å; D301-R325 PolarHBondContact O-NH1 3.29Å | ||
| 302 | R | 90.5 | Very high | 95.1 | Very high | 38 Ų | 38 | 32.9 Ų | 32.9 | 14% | 0.143 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -79.6 | -28.8 | -176.7 | -146.8 | 175.7 | -155.6 | -79.8 | -16.5 | 113.1 | R300 N467 L470 D515 | R300-R302 PolarHBondContact O-N 2.89Å; R302-N467 PolarHBondContact NH1-OD1 2.63Å; R302-L470 VanDerWaalsContact CZ-CB 3.4Å; R302-L470 VanDerWaalsContact NH2-CD1 3.32Å; R302-D515 IonicContact CZ-OD1 2.87Å; R302-D515 IonicContact CZ-OD2 3.69Å; R302-D515 IonicContact NH1-OD1 3.04Å; R302-D515 IonicContact NH2-OD1 3.89Å; R302-D515 PolarHBondContact NH2-OD1 3.1Å; R302-D515 IonicContact NH2-OD2 3.62Å; R302-D515 PolarHBondContact NH2-OD2 3.12Å |
| 303 | F | 88.9 | Confident | 95 | Very high | 140 Ų | 140 | 34.1 Ų | 34.1 | 61% | 0.614 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -96.1 | -35.6 | -174.5 | -57.3 | -72.9 | 0 | 0 | 0 | 111.9 | D301 P305 N467 | D301-F303 PolarHBondContact OD1-N 2.91Å; F303-P305 WeakPolarHBondContact O-CD 3.23Å; F303-N467 HydrophobicContact CE1-CB 4.36Å; F303-N467 HydrophobicContact CZ-CB 4.36Å |
| 304 | Q | 92.3 | Very high | 94.8 | Very high | 80 Ų | 80 | 34 Ų | 34 | 37% | 0.374 | 16% | 0.16 | S | C | . | . | trans | -107.7 | 99.8 | 179.8 | 178.8 | 56.3 | -83.3 | 0 | 0 | 110.2 | D301 Q306 R307 F321 R325 | D301-Q304 HydrophobicContact CB-CB 4.48Å; D301-Q304 PolarHBondContact OD1-N 3.44Å; Q304-Q306 PolarHBondContact O-N 3.02Å; Q304-R307 HydrophobicContact CB-CB 3.76Å; Q304-R307 HydrophobicContact CG-CB 3.4Å; Q304-R307 PolarHBondContact O-N 3.28Å; Q304-F321 HydrophobicContact CG-CD1 4.15Å; Q304-F321 HydrophobicContact CG-CE1 3.77Å; Q304-R325 PolarHBondContact O-NH1 2.91Å; Q304-R325 VanDerWaalsContact O-NH1 3.09Å | ||
| 305 | P | 90.4 | Very high | 94.4 | Very high | 86 Ų | 86 | 34.8 Ų | 34.8 | 56% | 0.558 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -18.5 | -171.6 | 23.6 | -36.2 | 0 | 0 | 0 | 114.7 | F303 R325 | F303-P305 WeakPolarHBondContact O-CD 3.23Å; P305-R325 WeakPolarHBondContact O-CD 3.43Å; P305-R325 PolarHBondContact O-NE 2.92Å; P305-R325 PolarHBondContact O-NH1 3.23Å; P305-R325 PolarHBondContact O-NH2 2.97Å |
| 306 | Q | 94.9 | Very high | 94 | Very high | 86 Ų | 86 | 37.6 Ų | 37.6 | 40% | 0.402 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -15.3 | 176.5 | -63.6 | -175.3 | 10 | 0 | 0 | 113.2 | Q304 F321 S322 | Q304-Q306 PolarHBondContact O-N 3.02Å; Q306-F321 HydrophobicContact CB-CB 4.49Å; Q306-F321 HydrophobicContact CB-CD1 4.48Å; Q306-F321 CarbonylContact O-C 3.58Å; Q306-F321 VanDerWaalsContact O-CA 3.25Å; Q306-F321 WeakPolarHBondContact O-CA 3.35Å; Q306-S322 VanDerWaalsContact CA-O 3.3Å; Q306-S322 WeakPolarHBondContact CA-O 3.46Å; Q306-S322 VanDerWaalsContact CB-O 3.31Å; Q306-S322 WeakPolarHBondContact CB-O 3.37Å; Q306-S322 PolarHBondContact O-N 2.86Å |
| 307 | R | 96.5 | Very high | 93.9 | Very high | 51 Ų | 51 | 40.3 Ų | 40.3 | 19% | 0.192 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 138.1 | -173 | -179.3 | 174.1 | 174.8 | -172.6 | 8.5 | 111.5 | D301 Q304 T319 Y320 F321 R325 | D301-R307 HydrophobicContact CB-CB 3.89Å; D301-R307 HydrophobicContact CB-CG 4.08Å; D301-R307 VanDerWaalsContact CB-O 3.29Å; D301-R307 WeakPolarHBondContact CB-O 3.38Å; D301-R307 PolarHBondContact N-O 3.4Å; D301-R307 VanDerWaalsContact OD2-CD 3.3Å; D301-R307 WeakPolarHBondContact OD2-CD 3.25Å; D301-R307 IonicContact OD2-NE 2.75Å; D301-R307 IonicContact OD2-NH1 3.51Å; Q304-R307 HydrophobicContact CB-CB 3.76Å; Q304-R307 HydrophobicContact CG-CB 3.4Å; Q304-R307 PolarHBondContact O-N 3.28Å; R307-T319 HydrophobicContact CG-CG2 3.99Å; R307-T319 VanDerWaalsContact NE-CG2 3.33Å; R307-Y320 WeakPolarHBondContact CA-O 3.44Å; R307-F321 HydrophobicContact CB-CD1 3.96Å; R307-F321 HydrophobicContact CB-CE1 3.89Å; R307-F321 HydrophobicContact CB-CZ 4.45Å; R307-F321 HydrophobicContact CG-CE1 4.28Å; R307-F321 HydrophobicContact CG-CZ 4.35Å; R307-R325 WeakPolarHBondContact O-CD 3.49Å; R307-R325 PolarHBondContact O-NH1 3.34Å |
| 308 | F | 98 | Very high | 93.7 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 160.6 | 167.6 | 67.7 | -77.9 | 0 | 0 | 0 | 110.2 | V249 M269 V299 I310 Y320 R325 L328 L329 | V249-F308 HydrophobicContact CG1-CZ 4.31Å; M269-F308 HydrophobicContact CE-CE2 4.49Å; M269-F308 HydrophobicContact CE-CZ 4.39Å; M269-F308 HydrophobicContact SD-CE2 4.43Å; M269-F308 HydrophobicContact SD-CZ 4.21Å; V299-F308 CarbonylContact O-C 3.55Å; V299-F308 WeakPolarHBondContact O-CA 3.38Å; V299-F308 WeakPolarHBondContact O-CB 3.32Å; F308-I310 HydrophobicContact CD2-CG1 4.37Å; F308-I310 HydrophobicContact CE2-CD1 4.29Å; F308-I310 HydrophobicContact CE2-CG1 4.26Å; F308-Y320 HydrophobicContact CD2-CD2 4.39Å; F308-Y320 HydrophobicContact CE1-CG 4.46Å; F308-Y320 AromaticContact CE2-CD2 3.82Å; F308-Y320 HydrophobicContact CE2-CD2 3.82Å; F308-Y320 HydrophobicContact CE2-CG 4.25Å; F308-Y320 HydrophobicContact CZ-CD2 4.03Å; F308-Y320 AromaticContact CZ-CG 3.97Å; F308-Y320 HydrophobicContact CZ-CG 3.97Å; F308-Y320 PolarHBondContact N-O 2.95Å; F308-Y320 PolarHBondContact O-N 3.04Å; F308-R325 HydrophobicContact CB-CG 3.99Å; F308-R325 HydrophobicContact CD1-CG 3.79Å; F308-R325 HydrophobicContact CG-CG 4.18Å; F308-L328 HydrophobicContact CE1-CD1 4.05Å; F308-L328 HydrophobicContact CE1-CD2 4.47Å; F308-L328 HydrophobicContact CE2-CD2 3.84Å; F308-L328 HydrophobicContact CZ-CD1 3.67Å; F308-L328 HydrophobicContact CZ-CD2 3.71Å; F308-L328 HydrophobicContact CZ-CG 4.37Å; F308-L329 HydrophobicContact CB-CD1 4.2Å; F308-L329 HydrophobicContact CB-CD2 4.15Å; F308-L329 HydrophobicContact CB-CG 4.47Å; F308-L329 HydrophobicContact CD2-CD2 3.74Å; F308-L329 HydrophobicContact CE2-CD2 4.4Å; F308-L329 HydrophobicContact CG-CD2 4.11Å |
| 309 | S | 98.2 | Very high | 93.6 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 149.3 | 175.1 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | V299 A318 T319 | V299-S309 PolarHBondContact N-O 2.82Å; V299-S309 PolarHBondContact O-N 3.08Å; S309-A318 CarbonylContact C-O 3.49Å; S309-A318 WeakPolarHBondContact CA-O 3.33Å; S309-A318 WeakPolarHBondContact CB-O 3.39Å; S309-T319 PolarHBondContact OG-OG1 3.23Å |
| 310 | I | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 120 | 174.6 | -56 | 176.7 | 0 | 0 | 0 | 106.4 | M269 L276 I295 L298 F308 Y312 I317 A318 Y320 L332 | M269-I310 HydrophobicContact CE-CD1 4.15Å; L276-I310 HydrophobicContact CD2-CD1 3.45Å; L276-I310 VanDerWaalsContact CD2-CD1 3.45Å; I295-I310 HydrophobicContact CB-CG2 4.49Å; I295-I310 HydrophobicContact CD1-CG2 4.08Å; I295-I310 HydrophobicContact CG1-CG2 3.95Å; I295-I310 HydrophobicContact CG2-CG2 3.89Å; L298-I310 HydrophobicContact CD2-CG1 4.12Å; L298-I310 HydrophobicContact CD2-CG2 4.32Å; F308-I310 HydrophobicContact CD2-CG1 4.37Å; F308-I310 HydrophobicContact CE2-CD1 4.29Å; F308-I310 HydrophobicContact CE2-CG1 4.26Å; I310-Y312 HydrophobicContact CB-CE2 4.31Å; I310-Y312 HydrophobicContact CG2-CD2 4.4Å; I310-Y312 HydrophobicContact CG2-CE1 4.05Å; I310-Y312 HydrophobicContact CG2-CE2 3.9Å; I310-I317 WeakPolarHBondContact O-CA 3.24Å; I310-A318 PolarHBondContact N-O 3.37Å; I310-A318 PolarHBondContact O-N 3.21Å; I310-Y320 HydrophobicContact CD1-CE2 4.04Å; I310-Y320 HydrophobicContact CG1-CE2 4.3Å; I310-L332 HydrophobicContact CD1-CD2 3.76Å; I310-L332 HydrophobicContact CG1-CD2 4.25Å |
| 311 | E | 96.3 | Very high | 93.6 | Very high | 12 Ų | 12 | 42.5 Ų | 42.5 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 120.1 | 172.6 | -174.7 | 175.2 | 170 | 0 | 0 | 108.2 | H296 L297 I317 S351 | H296-E311 WeakPolarHBondContact CA-O 3.5Å; H296-E311 WeakPolarHBondContact CB-O 3.26Å; H296-E311 PolarHBondContact N-O 2.97Å; L297-E311 HydrophobicContact CB-CB 4.16Å; L297-E311 PolarHBondContact N-O 2.66Å; L297-E311 VanDerWaalsContact N-O 3.14Å; L297-E311 PolarHBondContact O-N 3.4Å; E311-I317 HydrophobicContact CB-CG1 4.41Å; E311-I317 HydrophobicContact CG-CG1 4.18Å; E311-S351 WeakPolarHBondContact OE1-CB 3.41Å; E311-S351 PolarHBondContact OE1-OG 2.92Å; E311-S351 PolarHBondContact OE2-N 3.33Å; E311-S351 VanDerWaalsContact OE2-N 3.12Å |
| 312 | Y | 95 | Very high | 93.6 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 155.1 | 176.9 | -63.5 | -85.3 | 0 | 0 | 0 | 109.9 | H290 E294 I295 I310 R314 G315 Q316 A318 | H290-Y312 HydrophobicContact CB-CD1 4.48Å; H290-Y312 HydrophobicContact CB-CE1 3.6Å; H290-Y312 AromaticContact CG-CE1 3.84Å; H290-Y312 AromaticContact CG-CZ 3.83Å; E294-Y312 WeakPolarHBondContact O-CA 3.25Å; I295-Y312 HydrophobicContact CD1-CE1 4.43Å; I295-Y312 HydrophobicContact CG1-CD1 4.02Å; I295-Y312 HydrophobicContact CG1-CE1 3.73Å; I310-Y312 HydrophobicContact CB-CE2 4.31Å; I310-Y312 HydrophobicContact CG2-CD2 4.4Å; I310-Y312 HydrophobicContact CG2-CE1 4.05Å; I310-Y312 HydrophobicContact CG2-CE2 3.9Å; Y312-R314 PolarHBondContact O-N 3.23Å; Y312-G315 PolarHBondContact O-N 2.9Å; Y312-Q316 HydrophobicContact CD2-CB 4.13Å; Y312-Q316 WeakPolarHBondContact CD2-O 3.25Å; Y312-Q316 PolarHBondContact N-O 3.4Å; Y312-A318 HydrophobicContact CE2-CB 4.31Å |
| 313 | V | 92.3 | Very high | 93.7 | Very high | 26 Ų | 26 | 44.8 Ų | 44.8 | 16% | 0.158 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -32.2 | 179.8 | -71.3 | 0 | 0 | 0 | 0 | 111.5 | E294 H296 G315 L360 M361 | E294-V313 HydrophobicContact CB-CG2 3.77Å; E294-V313 HydrophobicContact CG-CG2 3.98Å; E294-V313 VanDerWaalsContact O-CG2 3.29Å; E294-V313 WeakPolarHBondContact O-CG2 3.39Å; E294-V313 PolarHBondContact O-N 2.93Å; H296-V313 HydrophobicContact CB-CG1 3.85Å; V313-G315 PolarHBondContact O-N 3.45Å; V313-L360 VanDerWaalsContact O-CB 3.31Å; V313-L360 WeakPolarHBondContact O-CB 3.46Å; V313-L360 WeakPolarHBondContact O-CD2 3.34Å; V313-L360 WeakPolarHBondContact O-CG 3.26Å; V313-M361 HydrophobicContact CB-CE 3.2Å; V313-M361 HydrophobicContact CB-SD 4.15Å; V313-M361 HydrophobicContact CG2-CE 3.23Å; V313-M361 HydrophobicContact CG2-SD 3.86Å; V313-M361 WeakPolarHBondContact O-CE 3.21Å |
| 314 | R | 88 | Confident | 93.7 | Very high | 68 Ų | 68 | 42.6 Ų | 42.6 | 26% | 0.257 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 7.9 | -178.1 | -61.8 | 179.2 | -166.6 | -75.9 | -12.4 | 113.2 | G184 E294 Y312 Q316 M361 | G184-R314 WeakPolarHBondContact O-CD 3.46Å; G184-R314 PolarHBondContact O-NE 3.1Å; E294-R314 IonicContact OE1-CZ 2.7Å; E294-R314 IonicContact OE1-NE 3.18Å; E294-R314 PolarHBondContact OE1-NE 2.85Å; E294-R314 IonicContact OE1-NH2 3.67Å; E294-R314 PolarHBondContact OE1-NH2 2.95Å; Y312-R314 PolarHBondContact O-N 3.23Å; R314-Q316 VanDerWaalsContact C-N 3.3Å; R314-Q316 PolarHBondContact O-N 3.44Å; R314-M361 HydrophobicContact CB-CE 3.86Å; R314-M361 HydrophobicContact CG-CE 3.24Å; R314-M361 HydrophobicContact CG-SD 4Å |
| 315 | G | 86.2 | Confident | 93.9 | Very high | 46 Ų | 46 | 39.2 Ų | 39.2 | 47% | 0.474 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 81.2 | 4.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y312 V313 | Y312-G315 PolarHBondContact O-N 2.9Å; V313-G315 PolarHBondContact O-N 3.45Å |
| 316 | Q | 89.2 | Confident | 94.1 | Very high | 58 Ų | 58 | 36.2 Ų | 36.2 | 27% | 0.271 | 20% | 0.195 | S | C | . | . | trans | -69.7 | 140.3 | 169.5 | -57.5 | 104 | 13.1 | 0 | 0 | 109.5 | Y312 R314 | Y312-Q316 HydrophobicContact CD2-CB 4.13Å; Y312-Q316 WeakPolarHBondContact CD2-O 3.25Å; Y312-Q316 PolarHBondContact N-O 3.4Å; R314-Q316 VanDerWaalsContact C-N 3.3Å; R314-Q316 PolarHBondContact O-N 3.44Å | ||
| 317 | I | 92.4 | Very high | 94 | Very high | 87 Ų | 87 | 32.5 Ų | 32.5 | 45% | 0.446 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 129.5 | 175.9 | -62.5 | 170.1 | 0 | 0 | 0 | 108.1 | I310 E311 F350 | I310-I317 WeakPolarHBondContact O-CA 3.24Å; E311-I317 HydrophobicContact CB-CG1 4.41Å; E311-I317 HydrophobicContact CG-CG1 4.18Å; I317-F350 HydrophobicContact CD1-CD1 3.92Å; I317-F350 HydrophobicContact CD1-CE1 4.05Å; I317-F350 HydrophobicContact CG1-CE1 4.5Å; I317-F350 HydrophobicContact CG2-CE1 3.7Å; I317-F350 HydrophobicContact CG2-CZ 4.35Å |
| 318 | A | 93.7 | Very high | 93.9 | Very high | 12 Ų | 12 | 30.1 Ų | 30.1 | 10% | 0.099 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | S309 I310 Y312 Y320 | S309-A318 CarbonylContact C-O 3.49Å; S309-A318 WeakPolarHBondContact CA-O 3.33Å; S309-A318 WeakPolarHBondContact CB-O 3.39Å; I310-A318 PolarHBondContact N-O 3.37Å; I310-A318 PolarHBondContact O-N 3.21Å; Y312-A318 HydrophobicContact CE2-CB 4.31Å; A318-Y320 HydrophobicContact CB-CE2 3.49Å; A318-Y320 VanDerWaalsContact CB-CE2 3.49Å; A318-Y320 VanDerWaalsContact CB-OH 3.26Å; A318-Y320 WeakPolarHBondContact CB-OH 3.49Å |
| 319 | T | 95.6 | Very high | 93.9 | Very high | 18 Ų | 18 | 30.1 Ų | 30.1 | 11% | 0.11 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 136.5 | -176.6 | -61.3 | 0 | 0 | 0 | 0 | 110.3 | L252 R307 S309 | L252-T319 HydrophobicContact CB-CG2 4.4Å; L252-T319 WeakPolarHBondContact CB-O 3.16Å; L252-T319 HydrophobicContact CD2-CG2 4.16Å; L252-T319 PolarHBondContact N-O 3.47Å; R307-T319 HydrophobicContact CG-CG2 3.99Å; R307-T319 VanDerWaalsContact NE-CG2 3.33Å; S309-T319 PolarHBondContact OG-OG1 3.23Å |
| 320 | Y | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 160.3 | -174.1 | -53.3 | -93.4 | 0 | 0 | 0 | 111.3 | V249 Q250 K251 M269 E278 R307 F308 I310 A318 | V249-Y320 HydrophobicContact CB-CD1 4.26Å; V249-Y320 HydrophobicContact CG2-CD1 3.7Å; V249-Y320 HydrophobicContact CG2-CE1 4.29Å; Q250-Y320 CarbonylContact O-C 3.6Å; Q250-Y320 VanDerWaalsContact O-CA 3.31Å; Q250-Y320 WeakPolarHBondContact O-CA 3.47Å; K251-Y320 HydrophobicContact CB-CD1 3.7Å; K251-Y320 HydrophobicContact CB-CE1 3.77Å; K251-Y320 HydrophobicContact CD-CE1 3.77Å; K251-Y320 HydrophobicContact CG-CD1 3.97Å; K251-Y320 HydrophobicContact CG-CE1 3.67Å; M269-Y320 HydrophobicContact CE-CD1 3.78Å; M269-Y320 HydrophobicContact CE-CD2 3.92Å; M269-Y320 HydrophobicContact CE-CE1 3.45Å; M269-Y320 VanDerWaalsContact CE-CE1 3.45Å; M269-Y320 HydrophobicContact CE-CE2 3.64Å; M269-Y320 HydrophobicContact CE-CG 4Å; E278-Y320 WeakPolarHBondContact OE1-CE1 3.21Å; E278-Y320 PolarHBondContact OE1-OH 3.34Å; R307-Y320 WeakPolarHBondContact CA-O 3.44Å; F308-Y320 HydrophobicContact CD2-CD2 4.39Å; F308-Y320 HydrophobicContact CE1-CG 4.46Å; F308-Y320 AromaticContact CE2-CD2 3.82Å; F308-Y320 HydrophobicContact CE2-CD2 3.82Å; F308-Y320 HydrophobicContact CE2-CG 4.25Å; F308-Y320 HydrophobicContact CZ-CD2 4.03Å; F308-Y320 AromaticContact CZ-CG 3.97Å; F308-Y320 HydrophobicContact CZ-CG 3.97Å; F308-Y320 PolarHBondContact N-O 2.95Å; F308-Y320 PolarHBondContact O-N 3.04Å; I310-Y320 HydrophobicContact CD1-CE2 4.04Å; I310-Y320 HydrophobicContact CG1-CE2 4.3Å; A318-Y320 HydrophobicContact CB-CE2 3.49Å; A318-Y320 VanDerWaalsContact CB-CE2 3.49Å; A318-Y320 VanDerWaalsContact CB-OH 3.26Å; A318-Y320 WeakPolarHBondContact CB-OH 3.49Å |
| 321 | F | 97.1 | Very high | 93.5 | Very high | 46 Ų | 46 | 30.3 Ų | 30.3 | 20% | 0.202 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 137.2 | 166.8 | -58.1 | -107.5 | 0 | 0 | 0 | 109.8 | V249 Q250 T264 Q304 Q306 R307 | V249-F321 CarbonylContact C-O 3.48Å; V249-F321 WeakPolarHBondContact CA-O 3.26Å; Q250-F321 HydrophobicContact CB-CB 4.17Å; Q250-F321 PolarHBondContact N-O 3.49Å; Q250-F321 PolarHBondContact O-N 2.89Å; T264-F321 HydrophobicContact CG2-CD2 4.14Å; T264-F321 HydrophobicContact CG2-CE2 4.18Å; Q304-F321 HydrophobicContact CG-CD1 4.15Å; Q304-F321 HydrophobicContact CG-CE1 3.77Å; Q306-F321 HydrophobicContact CB-CB 4.49Å; Q306-F321 HydrophobicContact CB-CD1 4.48Å; Q306-F321 CarbonylContact O-C 3.58Å; Q306-F321 VanDerWaalsContact O-CA 3.25Å; Q306-F321 WeakPolarHBondContact O-CA 3.35Å; R307-F321 HydrophobicContact CB-CD1 3.96Å; R307-F321 HydrophobicContact CB-CE1 3.89Å; R307-F321 HydrophobicContact CB-CZ 4.45Å; R307-F321 HydrophobicContact CG-CE1 4.28Å; R307-F321 HydrophobicContact CG-CZ 4.35Å |
| 322 | S | 95.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | trans | -146.9 | 141.1 | 174.5 | -172.7 | 0 | 0 | 0 | 0 | 110.6 | T248 Q306 N324 R325 | T248-S322 PolarHBondContact O-OG 2.82Å; Q306-S322 VanDerWaalsContact CA-O 3.3Å; Q306-S322 WeakPolarHBondContact CA-O 3.46Å; Q306-S322 VanDerWaalsContact CB-O 3.31Å; Q306-S322 WeakPolarHBondContact CB-O 3.37Å; Q306-S322 PolarHBondContact O-N 2.86Å; S322-N324 VanDerWaalsContact C-N 3.26Å; S322-N324 PolarHBondContact O-N 3.01Å; S322-N324 PolarHBondContact OG-N 3.34Å; S322-R325 PolarHBondContact O-N 2.73Å | ||
| 323 | T | 92.1 | Very high | 93.5 | Very high | 111 Ų | 111 | 30 Ų | 30 | 68% | 0.681 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -29.6 | 172.3 | 50.3 | 0 | 0 | 0 | 0 | 112 | ||
| 324 | N | 89.6 | Confident | 93.5 | Very high | 94 Ų | 94 | 30.1 Ų | 30.1 | 50% | 0.503 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 36.2 | 178.9 | -67.2 | -26.1 | 0 | 0 | 0 | 111.8 | S322 D326 A327 L328 | S322-N324 VanDerWaalsContact C-N 3.26Å; S322-N324 PolarHBondContact O-N 3.01Å; S322-N324 PolarHBondContact OG-N 3.34Å; N324-D326 PolarHBondContact O-N 3.49Å; N324-A327 HydrophobicContact CB-CB 4.48Å; N324-A327 PolarHBondContact O-N 2.96Å; N324-L328 PolarHBondContact O-N 2.83Å |
| 325 | R | 94.9 | Very high | 93.7 | Very high | 9 Ų | 9 | 27 Ų | 27 | 3% | 0.034 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -47.9 | -54.8 | -172.9 | 179.7 | -169.9 | 71.2 | -174.9 | -6.7 | 113.2 | R300 D301 Q304 P305 R307 F308 S322 A327 L328 L329 | R300-R325 VanDerWaalsContact CG-CZ 3.5Å; D301-R325 PolarHBondContact O-NH1 3.29Å; Q304-R325 PolarHBondContact O-NH1 2.91Å; Q304-R325 VanDerWaalsContact O-NH1 3.09Å; P305-R325 WeakPolarHBondContact O-CD 3.43Å; P305-R325 PolarHBondContact O-NE 2.92Å; P305-R325 PolarHBondContact O-NH1 3.23Å; P305-R325 PolarHBondContact O-NH2 2.97Å; R307-R325 WeakPolarHBondContact O-CD 3.49Å; R307-R325 PolarHBondContact O-NH1 3.34Å; F308-R325 HydrophobicContact CB-CG 3.99Å; F308-R325 HydrophobicContact CD1-CG 3.79Å; F308-R325 HydrophobicContact CG-CG 4.18Å; S322-R325 PolarHBondContact O-N 2.73Å; R325-A327 VanDerWaalsContact C-N 3.32Å; R325-A327 PolarHBondContact O-N 3.09Å; R325-L328 WeakPolarHBondContact O-CB 3.32Å; R325-L328 PolarHBondContact O-N 2.95Å; R325-L329 HydrophobicContact CG-CD1 3.94Å; R325-L329 HydrophobicContact CG-CG 4.25Å; R325-L329 WeakPolarHBondContact O-CG 3.28Å; R325-L329 PolarHBondContact O-N 3Å |
| 326 | D | 94.7 | Very high | 94.1 | Very high | 23 Ų | 23 | 24.9 Ų | 24.9 | 12% | 0.123 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.8 | -33 | -171.3 | -71.7 | 3.3 | 0 | 0 | 0 | 111.6 | R300 N324 L329 A330 | R300-D326 IonicContact CZ-OD1 3.69Å; R300-D326 IonicContact CZ-OD2 3.83Å; R300-D326 IonicContact NE-OD1 2.98Å; R300-D326 PolarHBondContact NE-OD1 2.93Å; R300-D326 IonicContact NE-OD2 3.75Å; R300-D326 PolarHBondContact NE-OD2 3.17Å; R300-D326 IonicContact NH2-OD1 2.85Å; R300-D326 IonicContact NH2-OD2 3.19Å; R300-D326 PolarHBondContact NH2-OD2 3.3Å; N324-D326 PolarHBondContact O-N 3.49Å; D326-L329 PolarHBondContact O-N 3.34Å; D326-A330 VanDerWaalsContact O-CB 3.28Å; D326-A330 WeakPolarHBondContact O-CB 3.27Å; D326-A330 PolarHBondContact O-N 3.02Å |
| 327 | A | 93 | Very high | 94.2 | Very high | 7 Ų | 7 | 25.3 Ų | 25.3 | 6% | 0.058 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.2 | -39 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N324 R325 S331 S573 P621 | N324-A327 HydrophobicContact CB-CB 4.48Å; N324-A327 PolarHBondContact O-N 2.96Å; R325-A327 VanDerWaalsContact C-N 3.32Å; R325-A327 PolarHBondContact O-N 3.09Å; A327-S331 WeakPolarHBondContact O-CB 3.06Å; A327-S331 PolarHBondContact O-N 2.69Å; A327-S331 PolarHBondContact O-OG 3.06Å; A327-S573 PolarHBondContact N-OG 2.86Å; A327-P621 HydrophobicContact CB-CG 3.68Å |
| 328 | L | 95.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.6 | -50.4 | 172 | -175.5 | 167.8 | 0 | 0 | 0 | 109.9 | F247 V249 M269 F308 N324 R325 A330 S331 L332 | F247-L328 HydrophobicContact CB-CD1 3.57Å; F247-L328 HydrophobicContact CB-CG 4.08Å; F247-L328 HydrophobicContact CD1-CB 3.87Å; F247-L328 HydrophobicContact CD1-CD1 4.3Å; F247-L328 HydrophobicContact CD1-CG 4.1Å; F247-L328 HydrophobicContact CD2-CD1 4.44Å; F247-L328 HydrophobicContact CD2-CG 4.02Å; F247-L328 HydrophobicContact CE1-CB 4.11Å; F247-L328 HydrophobicContact CG-CB 4.11Å; F247-L328 HydrophobicContact CG-CD1 3.87Å; F247-L328 HydrophobicContact CG-CG 3.8Å; V249-L328 HydrophobicContact CG1-CD1 3.55Å; M269-L328 HydrophobicContact SD-CD1 4.11Å; M269-L328 HydrophobicContact SD-CD2 4.05Å; F308-L328 HydrophobicContact CE1-CD1 4.05Å; F308-L328 HydrophobicContact CE1-CD2 4.47Å; F308-L328 HydrophobicContact CE2-CD2 3.84Å; F308-L328 HydrophobicContact CZ-CD1 3.67Å; F308-L328 HydrophobicContact CZ-CD2 3.71Å; F308-L328 HydrophobicContact CZ-CG 4.37Å; N324-L328 PolarHBondContact O-N 2.83Å; R325-L328 WeakPolarHBondContact O-CB 3.32Å; R325-L328 PolarHBondContact O-N 2.95Å; L328-A330 VanDerWaalsContact C-N 3.32Å; L328-A330 PolarHBondContact O-N 3.45Å; L328-S331 PolarHBondContact O-N 3.49Å; L328-S331 VanDerWaalsContact O-N 3.14Å; L328-L332 HydrophobicContact CD2-CB 4.37Å; L328-L332 HydrophobicContact CD2-CD2 4.35Å; L328-L332 WeakPolarHBondContact O-CB 3.31Å; L328-L332 PolarHBondContact O-N 2.79Å |
| 329 | L | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.6 | -39.9 | 178.9 | -71.8 | -179.7 | 0 | 0 | 0 | 112.1 | L298 R300 F308 R325 D326 L332 L333 L574 | L298-L329 HydrophobicContact CB-CD2 4.21Å; L298-L329 HydrophobicContact CD1-CD2 4.34Å; R300-L329 HydrophobicContact CB-CD1 3.93Å; R300-L329 HydrophobicContact CG-CD1 4.07Å; F308-L329 HydrophobicContact CB-CD1 4.2Å; F308-L329 HydrophobicContact CB-CD2 4.15Å; F308-L329 HydrophobicContact CB-CG 4.47Å; F308-L329 HydrophobicContact CD2-CD2 3.74Å; F308-L329 HydrophobicContact CE2-CD2 4.4Å; F308-L329 HydrophobicContact CG-CD2 4.11Å; R325-L329 HydrophobicContact CG-CD1 3.94Å; R325-L329 HydrophobicContact CG-CG 4.25Å; R325-L329 WeakPolarHBondContact O-CG 3.28Å; R325-L329 PolarHBondContact O-N 3Å; D326-L329 PolarHBondContact O-N 3.34Å; L329-L332 PolarHBondContact O-N 3.44Å; L329-L333 WeakPolarHBondContact O-CB 3.31Å; L329-L333 PolarHBondContact O-N 3.38Å; L329-L574 HydrophobicContact CB-CD1 4.27Å; L329-L574 HydrophobicContact CB-CD2 4.24Å; L329-L574 HydrophobicContact CB-CG 4.45Å; L329-L574 HydrophobicContact CD1-CD1 4.32Å |
| 330 | A | 95.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61 | -44.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | D326 L328 L333 D334 L574 | D326-A330 VanDerWaalsContact O-CB 3.28Å; D326-A330 WeakPolarHBondContact O-CB 3.27Å; D326-A330 PolarHBondContact O-N 3.02Å; L328-A330 VanDerWaalsContact C-N 3.32Å; L328-A330 PolarHBondContact O-N 3.45Å; A330-L333 PolarHBondContact O-N 2.92Å; A330-D334 PolarHBondContact O-N 2.96Å; A330-D334 VanDerWaalsContact O-N 3.09Å; A330-L574 HydrophobicContact CB-CD2 4.22Å |
| 331 | S | 93.7 | Very high | 93.1 | Very high | 7 Ų | 7 | 28.3 Ų | 28.3 | 5% | 0.049 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.8 | -38.6 | 178.5 | -52.7 | 0 | 0 | 0 | 0 | 112.4 | A327 L328 G335 S622 | A327-S331 WeakPolarHBondContact O-CB 3.06Å; A327-S331 PolarHBondContact O-N 2.69Å; A327-S331 PolarHBondContact O-OG 3.06Å; L328-S331 PolarHBondContact O-N 3.49Å; L328-S331 VanDerWaalsContact O-N 3.14Å; S331-G335 PolarHBondContact O-N 2.95Å; S331-S622 WeakPolarHBondContact OG-CA 3.07Å; S331-S622 WeakPolarHBondContact OG-CB 3.44Å; S331-S622 PolarHBondContact OG-OG 2.97Å; S331-S622 VanDerWaalsContact OG-OG 3.05Å |
| 332 | L | 95.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.5 | -40.8 | 176.1 | 178.9 | 60.1 | 0 | 0 | 0 | 111 | L271 L276 L292 I295 L298 I310 L328 L329 G335 V336 | L271-L332 HydrophobicContact CD2-CD1 3.55Å; L276-L332 HydrophobicContact CD1-CD1 4.19Å; L276-L332 HydrophobicContact CD2-CD1 4.45Å; L292-L332 HydrophobicContact CD2-CD1 3.82Å; I295-L332 HydrophobicContact CD1-CD1 3.9Å; L298-L332 HydrophobicContact CD1-CB 4.43Å; L298-L332 HydrophobicContact CD1-CD2 4.14Å; L298-L332 HydrophobicContact CD1-CG 4.05Å; L298-L332 HydrophobicContact CD2-CD2 3.45Å; L298-L332 VanDerWaalsContact CD2-CD2 3.45Å; L298-L332 HydrophobicContact CD2-CG 4.05Å; L298-L332 HydrophobicContact CG-CD2 4.46Å; I310-L332 HydrophobicContact CD1-CD2 3.76Å; I310-L332 HydrophobicContact CG1-CD2 4.25Å; L328-L332 HydrophobicContact CD2-CB 4.37Å; L328-L332 HydrophobicContact CD2-CD2 4.35Å; L328-L332 WeakPolarHBondContact O-CB 3.31Å; L328-L332 PolarHBondContact O-N 2.79Å; L329-L332 PolarHBondContact O-N 3.44Å; L332-G335 PolarHBondContact O-N 3.44Å; L332-V336 HydrophobicContact CD1-CG2 3.98Å; L332-V336 HydrophobicContact CG-CG2 4.38Å; L332-V336 WeakPolarHBondContact O-CB 3.42Å; L332-V336 VanDerWaalsContact O-CG2 3.25Å; L332-V336 WeakPolarHBondContact O-CG2 3.36Å; L332-V336 PolarHBondContact O-N 3.35Å |
| 333 | L | 95.6 | Very high | 92.6 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61 | -46.7 | 176.1 | -177.8 | 65.6 | 0 | 0 | 0 | 111.4 | L298 L329 A330 V336 R337 V344 V346 L574 | L298-L333 HydrophobicContact CD1-CB 4.2Å; L298-L333 HydrophobicContact CD1-CD1 4.44Å; L329-L333 WeakPolarHBondContact O-CB 3.31Å; L329-L333 PolarHBondContact O-N 3.38Å; A330-L333 PolarHBondContact O-N 2.92Å; L333-V336 PolarHBondContact O-N 3.37Å; L333-R337 WeakPolarHBondContact O-CB 3.49Å; L333-R337 WeakPolarHBondContact O-CG 3.27Å; L333-R337 PolarHBondContact O-N 2.66Å; L333-V344 HydrophobicContact CD1-CG1 3.76Å; L333-V344 HydrophobicContact CD1-CG2 4.19Å; L333-V346 HydrophobicContact CD1-CG2 4.45Å; L333-V346 HydrophobicContact CD2-CG2 4.21Å; L333-L574 HydrophobicContact CD2-CD2 4.26Å |
| 334 | D | 91.5 | Very high | 92.8 | Very high | 30 Ų | 30 | 31.6 Ų | 31.6 | 16% | 0.16 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63 | -43.9 | 174.6 | -178.5 | 70.4 | 0 | 0 | 0 | 111.2 | A330 V336 R337 A338 A624 R627 | A330-D334 PolarHBondContact O-N 2.96Å; A330-D334 VanDerWaalsContact O-N 3.09Å; D334-V336 PolarHBondContact O-N 2.7Å; D334-R337 PolarHBondContact O-N 2.95Å; D334-A338 VanDerWaalsContact O-CB 3.24Å; D334-A338 WeakPolarHBondContact O-CB 3.35Å; D334-A338 PolarHBondContact O-N 3.18Å; D334-A624 HydrophobicContact CB-CB 3.79Å; D334-R627 IonicContact OD1-NH2 3.11Å; D334-R627 PolarHBondContact OD1-NH2 3.33Å |
| 335 | G | 91.2 | Very high | 93.1 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S331 L332 A338 S339 | S331-G335 PolarHBondContact O-N 2.95Å; L332-G335 PolarHBondContact O-N 3.44Å; G335-A338 PolarHBondContact O-N 2.92Å; G335-S339 PolarHBondContact O-N 2.65Å |
| 336 | V | 94.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.4 | -43.1 | 177.7 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | L292 I295 L332 L333 D334 A338 S339 N341 V344 | L292-V336 HydrophobicContact CB-CG2 4.2Å; L292-V336 HydrophobicContact CD2-CG2 3.89Å; L292-V336 WeakPolarHBondContact O-CG1 3.42Å; I295-V336 HydrophobicContact CB-CG1 4.41Å; I295-V336 HydrophobicContact CB-CG2 4.09Å; I295-V336 HydrophobicContact CD1-CG2 3.71Å; I295-V336 HydrophobicContact CG1-CG2 4.39Å; I295-V336 HydrophobicContact CG2-CG2 4.35Å; L332-V336 HydrophobicContact CD1-CG2 3.98Å; L332-V336 HydrophobicContact CG-CG2 4.38Å; L332-V336 WeakPolarHBondContact O-CB 3.42Å; L332-V336 VanDerWaalsContact O-CG2 3.25Å; L332-V336 WeakPolarHBondContact O-CG2 3.36Å; L332-V336 PolarHBondContact O-N 3.35Å; L333-V336 PolarHBondContact O-N 3.37Å; D334-V336 PolarHBondContact O-N 2.7Å; V336-A338 PolarHBondContact O-N 3.46Å; V336-S339 PolarHBondContact O-N 3.03Å; V336-S339 PolarHBondContact O-OG 3.09Å; V336-N341 HydrophobicContact CG1-CB 3.78Å; V336-N341 PolarHBondContact O-N 3.19Å; V336-V344 HydrophobicContact CB-CB 4.37Å; V336-V344 HydrophobicContact CB-CG1 3.93Å; V336-V344 HydrophobicContact CB-CG2 4.37Å; V336-V344 HydrophobicContact CG1-CB 3.59Å; V336-V344 HydrophobicContact CG1-CG1 3.47Å; V336-V344 VanDerWaalsContact CG1-CG1 3.47Å; V336-V344 HydrophobicContact CG1-CG2 3.94Å |
| 337 | R | 91.5 | Very high | 93.4 | Very high | 68 Ų | 68 | 26.8 Ų | 26.8 | 26% | 0.257 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -64.2 | -40.2 | 176 | -72.3 | 175.8 | 174.9 | 177.6 | -1.6 | 111.8 | L333 D334 S339 G340 N341 V344 D524 | L333-R337 WeakPolarHBondContact O-CB 3.49Å; L333-R337 WeakPolarHBondContact O-CG 3.27Å; L333-R337 PolarHBondContact O-N 2.66Å; D334-R337 PolarHBondContact O-N 2.95Å; R337-S339 VanDerWaalsContact C-N 3.28Å; R337-S339 PolarHBondContact O-N 3.29Å; R337-G340 PolarHBondContact O-N 3.42Å; R337-N341 WeakPolarHBondContact CA-O 3.36Å; R337-V344 HydrophobicContact CG-CG1 3.77Å; R337-D524 IonicContact NH2-OD1 3.75Å; R337-D524 IonicContact NH2-OD2 3.74Å; R337-D524 PolarHBondContact NH2-OD2 3.46Å |
| 338 | A | 86.1 | Confident | 93.4 | Very high | 68 Ų | 68 | 27.2 Ų | 27.2 | 56% | 0.562 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -64.4 | -30.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D334 G335 V336 G340 | D334-A338 VanDerWaalsContact O-CB 3.24Å; D334-A338 WeakPolarHBondContact O-CB 3.35Å; D334-A338 PolarHBondContact O-N 3.18Å; G335-A338 PolarHBondContact O-N 2.92Å; V336-A338 PolarHBondContact O-N 3.46Å; A338-G340 PolarHBondContact O-N 3.32Å |
| 339 | S | 88.9 | Confident | 93.3 | Very high | 36 Ų | 36 | 28.9 Ų | 28.9 | 25% | 0.252 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -4.8 | 173.1 | 79.4 | 0 | 0 | 0 | 0 | 114.2 | C293 G335 V336 R337 | C293-S339 PolarHBondContact N-OG 3.38Å; G335-S339 PolarHBondContact O-N 2.65Å; V336-S339 PolarHBondContact O-N 3.03Å; V336-S339 PolarHBondContact O-OG 3.09Å; R337-S339 VanDerWaalsContact C-N 3.28Å; R337-S339 PolarHBondContact O-N 3.29Å |
| 340 | G | 87.2 | Confident | 93 | Very high | 56 Ų | 56 | 31.5 Ų | 31.5 | 58% | 0.577 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 101.8 | -6.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R337 A338 R342 | R337-G340 PolarHBondContact O-N 3.42Å; A338-G340 PolarHBondContact O-N 3.32Å; G340-R342 PolarHBondContact O-N 2.87Å |
| 341 | N | 93 | Very high | 92.8 | Very high | 20 Ų | 20 | 33 Ų | 33 | 11% | 0.107 | 19% | 0.189 | C | C | . | . | trans | -83 | 100.6 | 177.9 | 177.4 | 2.3 | 0 | 0 | 0 | 111.2 | C293 I295 V336 R337 D343 V344 | C293-N341 HydrophobicContact CB-CB 4.41Å; C293-N341 PolarHBondContact O-ND2 2.92Å; I295-N341 PolarHBondContact O-ND2 3.38Å; V336-N341 HydrophobicContact CG1-CB 3.78Å; V336-N341 PolarHBondContact O-N 3.19Å; R337-N341 WeakPolarHBondContact CA-O 3.36Å; N341-D343 VanDerWaalsContact C-N 3.34Å; N341-D343 PolarHBondContact OD1-N 3.22Å; N341-V344 PolarHBondContact OD1-N 3.31Å | ||
| 342 | R | 89.8 | Confident | 92.7 | Very high | 175 Ų | 175 | 34.4 Ų | 34.4 | 66% | 0.66 | 20% | 0.196 | S | C | * | . | trans | -84.7 | -6.7 | 178 | -61.1 | -179.1 | 179.3 | 173.6 | -0.2 | 113.7 | G340 | G340-R342 PolarHBondContact O-N 2.87Š| ||
| 343 | D | 93.3 | Very high | 92.6 | Very high | 56 Ų | 56 | 36.9 Ų | 36.9 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | trans | -90.8 | -10.4 | -175.1 | -73.1 | -40.4 | 0 | 0 | 0 | 113.9 | N341 A397 Y398 S399 | N341-D343 VanDerWaalsContact C-N 3.34Å; N341-D343 PolarHBondContact OD1-N 3.22Å; D343-A397 WeakPolarHBondContact OD1-CB 3.47Å; D343-Y398 WeakPolarHBondContact O-CB 3.49Å; D343-Y398 PolarHBondContact OD1-N 3.01Å; D343-S399 WeakPolarHBondContact OD1-CB 3.36Å; D343-S399 PolarHBondContact OD1-N 3.27Å; D343-S399 PolarHBondContact OD1-OG 3.32Å | ||
| 344 | V | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -65.2 | 137.9 | 175.9 | 67.5 | 0 | 0 | 0 | 0 | 111.4 | I295 L298 L333 V336 R337 N341 | I295-V344 HydrophobicContact CG2-CG2 4.16Å; L298-V344 HydrophobicContact CD1-CG2 4.31Å; L298-V344 HydrophobicContact CG-CG2 4.06Å; L333-V344 HydrophobicContact CD1-CG1 3.76Å; L333-V344 HydrophobicContact CD1-CG2 4.19Å; V336-V344 HydrophobicContact CB-CB 4.37Å; V336-V344 HydrophobicContact CB-CG1 3.93Å; V336-V344 HydrophobicContact CB-CG2 4.37Å; V336-V344 HydrophobicContact CG1-CB 3.59Å; V336-V344 HydrophobicContact CG1-CG1 3.47Å; V336-V344 VanDerWaalsContact CG1-CG1 3.47Å; V336-V344 HydrophobicContact CG1-CG2 3.94Å; R337-V344 HydrophobicContact CG-CG1 3.77Å; N341-V344 PolarHBondContact OD1-N 3.31Å | ||
| 345 | Y | 96.2 | Very high | 92.6 | Very high | 16 Ų | 16 | 35.3 Ų | 35.3 | 6% | 0.063 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 166.9 | 174.3 | 70 | -75.9 | 0 | 0 | 0 | 111.7 | L297 L298 Y398 H478 | L297-Y345 HydrophobicContact CB-CE1 4.42Å; L297-Y345 HydrophobicContact CD1-CD1 3.95Å; L297-Y345 HydrophobicContact CD1-CD2 3.66Å; L297-Y345 HydrophobicContact CD1-CE1 3.73Å; L297-Y345 HydrophobicContact CD1-CE2 3.44Å; L297-Y345 VanDerWaalsContact CD1-CE2 3.44Å; L297-Y345 HydrophobicContact CD1-CG 3.9Å; L297-Y345 VanDerWaalsContact CD1-CZ 3.45Å; L297-Y345 WeakPolarHBondContact CD1-O 3.24Å; L298-Y345 PolarHBondContact N-O 3.42Å; Y345-Y398 VanDerWaalsContact CB-CE2 3.49Å; Y345-Y398 AromaticContact CD1-CD2 3.91Å; Y345-Y398 HydrophobicContact CD1-CD2 3.91Å; Y345-Y398 HydrophobicContact CD1-CE2 4.47Å; Y345-Y398 HydrophobicContact CD1-CG 4.03Å; Y345-Y398 HydrophobicContact CD2-CD2 4.18Å; Y345-Y398 AromaticContact CD2-CE2 3.98Å; Y345-Y398 HydrophobicContact CD2-CE2 3.98Å; Y345-Y398 HydrophobicContact CG-CD1 4.37Å; Y345-Y398 AromaticContact CG-CD2 3.66Å; Y345-Y398 HydrophobicContact CG-CD2 3.66Å; Y345-Y398 HydrophobicContact CG-CE1 4.41Å; Y345-Y398 AromaticContact CG-CE2 3.76Å; Y345-Y398 HydrophobicContact CG-CE2 3.76Å; Y345-Y398 AromaticContact CG-CG 4Å; Y345-Y398 HydrophobicContact CG-CG 4Å; Y345-H478 AromaticContact CD2-CE1 3.7Å; Y345-H478 AromaticContact CD2-NE2 3.82Å; Y345-H478 AromaticContact CE2-CE1 3.89Å; Y345-H478 AromaticContact CE2-ND1 3.95Å |
| 346 | V | 98 | Very high | 92.8 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 136.2 | 175.4 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | L298 R300 L333 H478 L574 | L298-V346 HydrophobicContact CB-CG2 4.2Å; L298-V346 HydrophobicContact CD1-CG2 4.44Å; L298-V346 CarbonylContact O-C 3.21Å; L298-V346 VanDerWaalsContact O-CA 3.26Å; L298-V346 WeakPolarHBondContact O-CA 3.28Å; R300-V346 HydrophobicContact CB-CG1 3.85Å; L333-V346 HydrophobicContact CD1-CG2 4.45Å; L333-V346 HydrophobicContact CD2-CG2 4.21Å; V346-H478 PolarHBondContact O-CE1 3.44Å; V346-H478 VanDerWaalsContact O-CE1 3.22Å; V346-H478 PolarHBondContact O-NE2 3.04Å; V346-L574 HydrophobicContact CG1-CD1 3.91Å; V346-L574 HydrophobicContact CG2-CD1 4.31Å; V346-L574 HydrophobicContact CG2-CD2 4.02Å |
| 347 | S | 96.9 | Very high | 92.7 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 149.3 | 179.5 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | L298 V299 R300 S349 E474 | L298-S347 PolarHBondContact O-N 2.95Å; V299-S347 CarbonylContact C-O 3.53Å; V299-S347 VanDerWaalsContact CA-O 3.28Å; V299-S347 WeakPolarHBondContact CA-O 3.47Å; R300-S347 PolarHBondContact N-O 3.22Å; S347-S349 WeakPolarHBondContact CB-O 3.41Å; S347-S349 PolarHBondContact O-N 2.85Å; S347-S349 PolarHBondContact OG-N 3.47Å; S347-S349 VanDerWaalsContact OG-N 3.07Å; S347-S349 PolarHBondContact OG-O 3.32Å; S347-E474 WeakPolarHBondContact CA-OE1 3.32Å |
| 348 | S | 94.7 | Very high | 92.8 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 11% | 0.105 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -71 | -15.9 | 168.3 | -52.6 | 0 | 0 | 0 | 0 | 113.6 | R300 E474 | R300-S348 WeakPolarHBondContact O-CA 3.48Å; S348-E474 WeakPolarHBondContact CB-OE2 3.49Å; S348-E474 PolarHBondContact N-OE1 3.49Å; S348-E474 PolarHBondContact N-OE2 2.95Å; S348-E474 PolarHBondContact OG-OE1 3.06Å; S348-E474 PolarHBondContact OG-OE2 3.36Å |
| 349 | S | 91.6 | Very high | 93.1 | Very high | 37 Ų | 37 | 30.5 Ų | 30.5 | 26% | 0.259 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -132.6 | 149.7 | -174.1 | 59.2 | 0 | 0 | 0 | 0 | 112.7 | S347 | S347-S349 WeakPolarHBondContact CB-O 3.41Å; S347-S349 PolarHBondContact O-N 2.85Å; S347-S349 PolarHBondContact OG-N 3.47Å; S347-S349 VanDerWaalsContact OG-N 3.07Å; S347-S349 PolarHBondContact OG-O 3.32Å |
| 350 | F | 92.9 | Very high | 93 | Very high | 55 Ų | 55 | 30 Ų | 30 | 24% | 0.241 | 16% | 0.159 | C | C | . | . | trans | -64.9 | 158.4 | 174.9 | -67.7 | -82.2 | 0 | 0 | 0 | 112.2 | V299 I317 | V299-F350 HydrophobicContact CB-CD1 4.46Å; V299-F350 HydrophobicContact CB-CE1 4.21Å; V299-F350 HydrophobicContact CB-CZ 4.44Å; V299-F350 HydrophobicContact CG1-CD2 4.4Å; V299-F350 HydrophobicContact CG1-CE1 4.34Å; V299-F350 HydrophobicContact CG1-CE2 4.22Å; V299-F350 HydrophobicContact CG1-CZ 4.19Å; V299-F350 HydrophobicContact CG2-CD1 3.68Å; V299-F350 HydrophobicContact CG2-CE1 3.84Å; V299-F350 HydrophobicContact CG2-CG 4.2Å; V299-F350 HydrophobicContact CG2-CZ 4.49Å; I317-F350 HydrophobicContact CD1-CD1 3.92Å; I317-F350 HydrophobicContact CD1-CE1 4.05Å; I317-F350 HydrophobicContact CG1-CE1 4.5Å; I317-F350 HydrophobicContact CG2-CE1 3.7Å; I317-F350 HydrophobicContact CG2-CZ 4.35Å | ||
| 351 | S | 91.3 | Very high | 93 | Very high | 33 Ų | 33 | 31 Ų | 31 | 23% | 0.231 | 15% | 0.15 | C | C | . | . | trans | -65.6 | 141.4 | 170 | 94.2 | 0 | 0 | 0 | 0 | 110.6 | E311 | E311-S351 WeakPolarHBondContact OE1-CB 3.41Å; E311-S351 PolarHBondContact OE1-OG 2.92Å; E311-S351 PolarHBondContact OE2-N 3.33Å; E311-S351 VanDerWaalsContact OE2-N 3.12Å | ||
| 352 | D | 91.3 | Very high | 92.9 | Very high | 37 Ų | 37 | 32.8 Ų | 32.8 | 20% | 0.198 | 16% | 0.159 | C | C | . | . | trans | -101 | 101.1 | 177.3 | -171.7 | -15 | 0 | 0 | 0 | 110.3 | S354 L355 | D352-S354 PolarHBondContact O-N 3.38Å; D352-S354 VanDerWaalsContact O-N 3.14Å; D352-S354 WeakPolarHBondContact OD1-CB 3.22Å; D352-S354 PolarHBondContact OD1-N 3.48Å; D352-S354 PolarHBondContact OD1-OG 2.94Å; D352-S354 PolarHBondContact OD2-OG 3.23Å; D352-L355 HydrophobicContact CB-CB 4.48Å; D352-L355 HydrophobicContact CB-CD1 4.05Å; D352-L355 HydrophobicContact CB-CG 4.04Å; D352-L355 PolarHBondContact O-N 2.88Å | ||
| 353 | R | 92.8 | Very high | 92.9 | Very high | 52 Ų | 52 | 28.2 Ų | 28.2 | 20% | 0.196 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -22.8 | 179.5 | -173.5 | 64.2 | -164.9 | 87.3 | -2.7 | 112.9 | C18 Y19 L355 R356 | C18-R353 PolarHBondContact N-O 3.46Å; C18-R353 PolarHBondContact O-NH1 3.4Å; C18-R353 PolarHBondContact O-NH2 3.2Å; Y19-R353 PolarHBondContact OH-NH2 2.96Å; R353-L355 VanDerWaalsContact C-N 3.27Å; R353-L355 PolarHBondContact O-N 2.98Å; R353-R356 PolarHBondContact NH1-O 3.45Å |
| 354 | S | 93 | Very high | 92.9 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -22.7 | 176.6 | 78.6 | 0 | 0 | 0 | 0 | 113 | V16 C18 D352 | V16-S354 PolarHBondContact O-N 2.89Å; C18-S354 WeakPolarHBondContact CB-O 3.47Å; D352-S354 PolarHBondContact O-N 3.38Å; D352-S354 VanDerWaalsContact O-N 3.14Å; D352-S354 WeakPolarHBondContact OD1-CB 3.22Å; D352-S354 PolarHBondContact OD1-N 3.48Å; D352-S354 PolarHBondContact OD1-OG 2.94Å; D352-S354 PolarHBondContact OD2-OG 3.23Å |
| 355 | L | 94.2 | Very high | 92.7 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -21 | -180 | -58.1 | -175.5 | 0 | 0 | 0 | 112.8 | D352 R353 Q390 R391 A394 N395 | D352-L355 HydrophobicContact CB-CB 4.48Å; D352-L355 HydrophobicContact CB-CD1 4.05Å; D352-L355 HydrophobicContact CB-CG 4.04Å; D352-L355 PolarHBondContact O-N 2.88Å; R353-L355 VanDerWaalsContact C-N 3.27Å; R353-L355 PolarHBondContact O-N 2.98Å; L355-Q390 HydrophobicContact CD1-CB 3.8Å; L355-R391 HydrophobicContact CB-CG 4.02Å; L355-R391 HydrophobicContact CD1-CG 4.38Å; L355-R391 HydrophobicContact CD2-CG 3.89Å; L355-R391 HydrophobicContact CG-CG 4.31Å; L355-A394 HydrophobicContact CB-CB 3.87Å; L355-N395 PolarHBondContact O-ND2 3.07Å |
| 356 | R | 94.4 | Very high | 92.4 | Very high | 22 Ų | 22 | 31.2 Ų | 31.2 | 8% | 0.083 | 17% | 0.171 | C | C | . | . | trans | -82.9 | 132.5 | 179.3 | -164.8 | 178.9 | 177.4 | 89.3 | -3.4 | 111.9 | C18 R353 I358 P359 N362 A394 N395 | C18-R356 CarbonylContact C-O 3.59Å; C18-R356 WeakPolarHBondContact CB-O 3.18Å; R353-R356 PolarHBondContact NH1-O 3.45Å; R356-I358 WeakPolarHBondContact CD-O 3.38Å; R356-I358 WeakPolarHBondContact CG-O 3.44Å; R356-I358 PolarHBondContact NE-O 2.91Å; R356-P359 PolarHBondContact NE-O 3.35Å; R356-N362 PolarHBondContact NH2-O 3.04Å; R356-A394 HydrophobicContact CB-CB 4.45Å; R356-A394 VanDerWaalsContact CD-O 3.31Å; R356-A394 WeakPolarHBondContact CD-O 3.37Å; R356-A394 WeakPolarHBondContact CG-O 3.39Å; R356-A394 PolarHBondContact NH1-O 3.13Å; R356-N395 WeakPolarHBondContact CA-OD1 3.43Å; R356-N395 PolarHBondContact NH1-O 2.92Å | ||
| 357 | F | 94.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -87.6 | -16.1 | -175.9 | -71.6 | 5.2 | 0 | 0 | 0 | 113.6 | Y19 L20 L33 L49 V368 V371 H372 F375 N395 | Y19-F357 CarbonylContact C-O 3.57Å; Y19-F357 WeakPolarHBondContact CA-O 3.35Å; L20-F357 HydrophobicContact CB-CB 4.26Å; L20-F357 PolarHBondContact N-O 3.1Å; L33-F357 HydrophobicContact CD1-CD1 4.34Å; L33-F357 HydrophobicContact CD1-CE1 3.55Å; L33-F357 HydrophobicContact CD1-CE2 3.87Å; L33-F357 HydrophobicContact CD1-CZ 3.28Å; L33-F357 HydrophobicContact CD2-CB 4.43Å; L33-F357 HydrophobicContact CD2-CD1 3.8Å; L33-F357 HydrophobicContact CD2-CD2 3.47Å; L33-F357 VanDerWaalsContact CD2-CD2 3.47Å; L33-F357 HydrophobicContact CD2-CE1 3.82Å; L33-F357 HydrophobicContact CD2-CE2 3.5Å; L33-F357 VanDerWaalsContact CD2-CE2 3.5Å; L33-F357 HydrophobicContact CD2-CG 3.63Å; L33-F357 HydrophobicContact CD2-CZ 3.68Å; L33-F357 HydrophobicContact CG-CE1 4.3Å; L33-F357 HydrophobicContact CG-CE2 4.28Å; L33-F357 HydrophobicContact CG-CZ 4.1Å; L49-F357 HydrophobicContact CD2-CZ 4.21Å; F357-V368 HydrophobicContact CB-CG1 4.36Å; F357-V368 HydrophobicContact CB-CG2 4.24Å; F357-V368 HydrophobicContact CD2-CG1 4.3Å; F357-V368 HydrophobicContact CD2-CG2 4.26Å; F357-V371 HydrophobicContact CE2-CG1 4.21Å; F357-H372 AromaticContact CD2-NE2 3.86Å; F357-H372 AromaticContact CE2-CE1 3.97Å; F357-H372 AromaticContact CE2-NE2 3.78Å; F357-H372 AromaticContact CZ-CE1 3.83Å; F357-F375 HydrophobicContact CZ-CE2 4.43Å; F357-N395 PolarHBondContact N-OD1 3.39Å |
| 358 | I | 92.7 | Very high | 92 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -129.6 | 153.2 | -173.7 | -64.5 | 174.6 | 0 | 0 | 0 | 107.9 | Y99 R356 N362 T365 V368 | Y99-I358 HydrophobicContact CE1-CG2 4.41Å; Y99-I358 HydrophobicContact CE2-CG1 4.35Å; Y99-I358 HydrophobicContact CE2-CG2 3.9Å; R356-I358 WeakPolarHBondContact CD-O 3.38Å; R356-I358 WeakPolarHBondContact CG-O 3.44Å; R356-I358 PolarHBondContact NE-O 2.91Å; I358-N362 HydrophobicContact CG2-CB 3.61Å; I358-T365 HydrophobicContact CD1-CG2 3.95Å; I358-V368 HydrophobicContact CD1-CB 4.23Å; I358-V368 HydrophobicContact CD1-CG2 3.65Å; I358-V368 HydrophobicContact CG1-CG2 4.17Å |
| 359 | P | 91.6 | Very high | 92 | Very high | 9 Ų | 9 | 33.5 Ų | 33.5 | 6% | 0.058 | 18% | 0.179 | C | C | . | . | trans | -53.1 | 156.5 | 171.4 | -24.6 | 33.6 | 0 | 0 | 0 | 113.3 | Y19 Y99 E102 R356 M361 N362 | Y19-P359 HydrophobicContact CE1-CG 4.13Å; Y99-P359 HydrophobicContact CD1-CG 3.58Å; Y99-P359 HydrophobicContact CD2-CG 4.3Å; Y99-P359 HydrophobicContact CE1-CG 4.19Å; Y99-P359 HydrophobicContact CG-CG 3.63Å; E102-P359 HydrophobicContact CB-CG 4.23Å; E102-P359 HydrophobicContact CG-CB 4.46Å; E102-P359 HydrophobicContact CG-CG 4.04Å; R356-P359 PolarHBondContact NE-O 3.35Å; P359-M361 VanDerWaalsContact C-N 3.32Å; P359-M361 PolarHBondContact O-N 3.48Å; P359-N362 WeakPolarHBondContact CB-OD1 3.28Å; P359-N362 PolarHBondContact O-N 2.94Å | ||
| 360 | L | 88.1 | Confident | 92.1 | Very high | 25 Ų | 25 | 32 Ų | 32 | 13% | 0.131 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -29 | -174.6 | -172.1 | 62.7 | 0 | 0 | 0 | 113.2 | H296 V313 N362 | H296-L360 HydrophobicContact CB-CD2 4.15Å; V313-L360 VanDerWaalsContact O-CB 3.31Å; V313-L360 WeakPolarHBondContact O-CB 3.46Å; V313-L360 WeakPolarHBondContact O-CD2 3.34Å; V313-L360 WeakPolarHBondContact O-CG 3.26Å; L360-N362 PolarHBondContact O-N 3.46Å |
| 361 | M | 86.9 | Confident | 92.1 | Very high | 79 Ų | 79 | 29.7 Ų | 29.7 | 39% | 0.389 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -30.8 | 172.6 | -73 | -59.9 | 111.1 | 0 | 0 | 114.2 | V313 R314 P359 | V313-M361 HydrophobicContact CB-CE 3.2Å; V313-M361 HydrophobicContact CB-SD 4.15Å; V313-M361 HydrophobicContact CG2-CE 3.23Å; V313-M361 HydrophobicContact CG2-SD 3.86Å; V313-M361 WeakPolarHBondContact O-CE 3.21Å; R314-M361 HydrophobicContact CB-CE 3.86Å; R314-M361 HydrophobicContact CG-CE 3.24Å; R314-M361 HydrophobicContact CG-SD 4Å; P359-M361 VanDerWaalsContact C-N 3.32Å; P359-M361 PolarHBondContact O-N 3.48Å |
| 362 | N | 90.4 | Very high | 92.4 | Very high | 57 Ų | 57 | 28.1 Ų | 28.1 | 31% | 0.305 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -104.4 | 140.4 | -162.8 | -58.8 | 95.7 | 0 | 0 | 0 | 109.7 | Y99 R356 I358 P359 L360 | Y99-N362 HydrophobicContact CE1-CB 4.3Å; R356-N362 PolarHBondContact NH2-O 3.04Å; I358-N362 HydrophobicContact CG2-CB 3.61Å; P359-N362 WeakPolarHBondContact CB-OD1 3.28Å; P359-N362 PolarHBondContact O-N 2.94Å; L360-N362 PolarHBondContact O-N 3.46Å |
| 363 | S | 90.7 | Very high | 92.6 | Very high | 78 Ų | 78 | 26.6 Ų | 26.6 | 55% | 0.545 | 14% | 0.14 | S | C | . | . | P | Polyproline II helix | trans | -66 | 150 | 173.1 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | T365 L402 | S363-T365 PolarHBondContact O-N 2.86Å; S363-L402 VanDerWaalsContact CB-CD1 3.46Å |
| 364 | A | 91.8 | Very high | 92.7 | Very high | 7 Ų | 7 | 28.9 Ų | 28.9 | 6% | 0.058 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 128.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V368 E369 H403 | A364-V368 HydrophobicContact CB-CG1 4.31Å; A364-E369 HydrophobicContact CB-CG 3.83Å; A364-H403 PolarHBondContact O-CD2 3.09Å; A364-H403 PolarHBondContact O-NE2 3.36Å |
| 365 | T | 92.2 | Very high | 92.8 | Very high | 53 Ų | 53 | 29.2 Ų | 29.2 | 33% | 0.325 | 15% | 0.15 | S | C | . | . | P | Polyproline II helix | trans | -70.6 | 155.9 | 172.1 | 59.1 | 0 | 0 | 0 | 0 | 110.5 | I358 S363 E367 V368 E369 | I358-T365 HydrophobicContact CD1-CG2 3.95Å; S363-T365 PolarHBondContact O-N 2.86Å; T365-E367 PolarHBondContact O-N 3.41Å; T365-E367 VanDerWaalsContact O-N 3.1Å; T365-V368 WeakPolarHBondContact O-CB 3.38Å; T365-V368 PolarHBondContact O-N 2.89Å; T365-V368 WeakPolarHBondContact OG1-CG2 3.46Å; T365-E369 PolarHBondContact O-N 3Å; T365-E369 VanDerWaalsContact O-N 3.11Å |
| 366 | E | 90.8 | Very high | 92.8 | Very high | 75 Ų | 75 | 29.2 Ų | 29.2 | 35% | 0.35 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -47.8 | -43 | 176.2 | -175 | -174.2 | 165.7 | 0 | 0 | 113.3 | V368 E369 S370 H403 K415 | E366-V368 VanDerWaalsContact C-N 3.33Å; E366-V368 PolarHBondContact O-N 3.31Å; E366-E369 PolarHBondContact O-N 3.46Å; E366-S370 WeakPolarHBondContact O-CB 3.48Å; E366-S370 PolarHBondContact O-N 3.43Å; E366-S370 PolarHBondContact O-OG 3.34Å; E366-H403 VanDerWaalsContact CA-CD2 3.42Å; E366-H403 WeakPolarHBondContact CA-CD2 3.16Å; E366-H403 HydrophobicContact CB-CB 3.86Å; E366-H403 HydrophobicContact CG-CB 3.82Å; E366-H403 PolarHBondContact N-CD2 3.48Å; E366-H403 PolarHBondContact N-NE2 3.22Å; E366-K415 WeakPolarHBondContact OE1-CE 3.3Å; E366-K415 IonicContact OE1-NZ 2.87Å; E366-K415 PolarHBondContact OE1-NZ 2.95Å |
| 367 | E | 91.6 | Very high | 92.6 | Very high | 68 Ų | 68 | 34.7 Ų | 34.7 | 32% | 0.318 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -59.7 | -43.7 | 178.9 | -178.9 | 175.3 | -163.2 | 0 | 0 | 111.9 | K46 T365 S370 V371 | K46-E367 WeakPolarHBondContact CD-OE1 3.42Å; K46-E367 WeakPolarHBondContact CE-OE1 3.48Å; K46-E367 IonicContact NZ-OE1 3.9Å; K46-E367 PolarHBondContact NZ-OE1 3.24Å; T365-E367 PolarHBondContact O-N 3.41Å; T365-E367 VanDerWaalsContact O-N 3.1Å; E367-S370 PolarHBondContact O-N 3.03Å; E367-V371 VanDerWaalsContact O-CG2 3.25Å; E367-V371 WeakPolarHBondContact O-CG2 3.39Å; E367-V371 PolarHBondContact O-N 2.85Å |
| 368 | V | 94.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.9 | -46.2 | -180 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | L20 F357 I358 A364 T365 E366 S370 V371 H372 N395 | L20-V368 HydrophobicContact CD2-CG2 3.78Å; F357-V368 HydrophobicContact CB-CG1 4.36Å; F357-V368 HydrophobicContact CB-CG2 4.24Å; F357-V368 HydrophobicContact CD2-CG1 4.3Å; F357-V368 HydrophobicContact CD2-CG2 4.26Å; I358-V368 HydrophobicContact CD1-CB 4.23Å; I358-V368 HydrophobicContact CD1-CG2 3.65Å; I358-V368 HydrophobicContact CG1-CG2 4.17Å; A364-V368 HydrophobicContact CB-CG1 4.31Å; T365-V368 WeakPolarHBondContact O-CB 3.38Å; T365-V368 PolarHBondContact O-N 2.89Å; T365-V368 WeakPolarHBondContact OG1-CG2 3.46Å; E366-V368 VanDerWaalsContact C-N 3.33Å; E366-V368 PolarHBondContact O-N 3.31Å; V368-S370 VanDerWaalsContact C-N 3.3Å; V368-S370 PolarHBondContact O-N 3.32Å; V368-V371 PolarHBondContact O-N 3.32Å; V368-H372 PolarHBondContact O-CD2 2.96Å; V368-H372 PolarHBondContact O-N 2.86Å; V368-H372 VanDerWaalsContact O-N 3.15Å; V368-N395 HydrophobicContact CG1-CB 4.05Å |
| 369 | E | 94.7 | Very high | 92.3 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.019 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.7 | -46.2 | 176.8 | -61.6 | -161.8 | 153.3 | 0 | 0 | 111.6 | A364 T365 E366 V371 H372 L373 I396 L401 L402 H403 | A364-E369 HydrophobicContact CB-CG 3.83Å; T365-E369 PolarHBondContact O-N 3Å; T365-E369 VanDerWaalsContact O-N 3.11Å; E366-E369 PolarHBondContact O-N 3.46Å; E369-V371 PolarHBondContact O-N 3.45Å; E369-H372 PolarHBondContact O-N 3.11Å; E369-L373 WeakPolarHBondContact O-CG 3.29Å; E369-L373 PolarHBondContact O-N 3.32Å; E369-I396 HydrophobicContact CB-CD1 4.02Å; E369-I396 HydrophobicContact CG-CD1 3.66Å; E369-L401 HydrophobicContact CB-CD2 4.16Å; E369-L402 PolarHBondContact OE1-N 2.82Å; E369-L402 PolarHBondContact OE2-N 2.97Å; E369-H403 WeakPolarHBondContact OE2-CA 3.42Å; E369-H403 VanDerWaalsContact OE2-CB 3.31Å; E369-H403 WeakPolarHBondContact OE2-CB 3.41Å; E369-H403 IonicContact OE2-CD2 2.84Å; E369-H403 IonicContact OE2-CG 3.82Å; E369-H403 PolarHBondContact OE2-N 3.14Å |
| 370 | S | 93.2 | Very high | 92.2 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 5% | 0.049 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.6 | -42.4 | -179.2 | -52.9 | 0 | 0 | 0 | 0 | 112.4 | E366 E367 V368 L373 R374 K415 | E366-S370 WeakPolarHBondContact O-CB 3.48Å; E366-S370 PolarHBondContact O-N 3.43Å; E366-S370 PolarHBondContact O-OG 3.34Å; E367-S370 PolarHBondContact O-N 3.03Å; V368-S370 VanDerWaalsContact C-N 3.3Å; V368-S370 PolarHBondContact O-N 3.32Å; S370-L373 PolarHBondContact O-N 3.36Å; S370-R374 VanDerWaalsContact O-CG 3.3Å; S370-R374 WeakPolarHBondContact O-CG 3.39Å; S370-R374 PolarHBondContact O-N 3.14Å; S370-K415 PolarHBondContact OG-NZ 2.74Å |
| 371 | V | 94.4 | Very high | 91.9 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.4 | -44.4 | 177.2 | 166.6 | 0 | 0 | 0 | 0 | 110.8 | K46 F357 E367 V368 E369 R374 F375 | K46-V371 WeakPolarHBondContact O-CG1 3.24Å; F357-V371 HydrophobicContact CE2-CG1 4.21Å; E367-V371 VanDerWaalsContact O-CG2 3.25Å; E367-V371 WeakPolarHBondContact O-CG2 3.39Å; E367-V371 PolarHBondContact O-N 2.85Å; V368-V371 PolarHBondContact O-N 3.32Å; E369-V371 PolarHBondContact O-N 3.45Å; V371-R374 PolarHBondContact O-N 3.39Å; V371-F375 HydrophobicContact CG1-CD1 4.45Å; V371-F375 HydrophobicContact CG1-CD2 4.15Å; V371-F375 HydrophobicContact CG1-CE1 3.86Å; V371-F375 HydrophobicContact CG1-CE2 3.5Å; V371-F375 HydrophobicContact CG1-CZ 3.36Å; V371-F375 WeakPolarHBondContact O-CD1 3.27Å; V371-F375 VanDerWaalsContact O-CG 3.27Å; V371-F375 WeakPolarHBondContact O-CG 3.31Å; V371-F375 PolarHBondContact O-N 3.21Å |
| 372 | H | 95.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.5 | -35.4 | 179.5 | -69.7 | -64.9 | 0 | 0 | 0 | 113.2 | F357 V368 E369 R374 F375 L376 F392 N395 | F357-H372 AromaticContact CD2-NE2 3.86Å; F357-H372 AromaticContact CE2-CE1 3.97Å; F357-H372 AromaticContact CE2-NE2 3.78Å; F357-H372 AromaticContact CZ-CE1 3.83Å; V368-H372 PolarHBondContact O-CD2 2.96Å; V368-H372 PolarHBondContact O-N 2.86Å; V368-H372 VanDerWaalsContact O-N 3.15Å; E369-H372 PolarHBondContact O-N 3.11Å; H372-R374 VanDerWaalsContact C-N 3.35Å; H372-F375 AromaticContact ND1-CD2 3.79Å; H372-F375 PolarHBondContact O-N 3.48Å; H372-L376 PolarHBondContact O-N 3.15Å; H372-L376 VanDerWaalsContact O-N 3.08Å; H372-F392 HydrophobicContact CB-CD2 4Å; H372-N395 PolarHBondContact CE1-ND2 3.37Å; H372-N395 PolarHBondContact NE2-ND2 3.03Å; H372-N395 VanDerWaalsContact NE2-ND2 3.11Å |
| 373 | L | 95.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 171 | -72.3 | 175.2 | 0 | 0 | 0 | 111.9 | E369 S370 F375 L376 R377 F392 L401 L418 I419 A422 L483 | E369-L373 WeakPolarHBondContact O-CG 3.29Å; E369-L373 PolarHBondContact O-N 3.32Å; S370-L373 PolarHBondContact O-N 3.36Å; L373-F375 VanDerWaalsContact C-N 3.33Å; L373-F375 PolarHBondContact O-N 2.79Å; L373-L376 PolarHBondContact O-N 3.46Å; L373-R377 PolarHBondContact O-N 3.07Å; L373-F392 HydrophobicContact CD2-CE2 4.12Å; L373-L401 HydrophobicContact CD1-CD2 3.92Å; L373-L401 HydrophobicContact CD2-CD2 4.23Å; L373-L401 HydrophobicContact CG-CD2 4.14Å; L373-L418 HydrophobicContact CB-CB 4.07Å; L373-L418 HydrophobicContact CB-CD1 4.19Å; L373-L418 HydrophobicContact CD1-CB 4.07Å; L373-L418 HydrophobicContact CD1-CD1 4.42Å; L373-I419 HydrophobicContact CD1-CG1 3.96Å; L373-I419 HydrophobicContact CD2-CG1 4.14Å; L373-A422 HydrophobicContact CD2-CB 3.95Å; L373-L483 HydrophobicContact CD2-CD2 3.88Å |
| 374 | R | 94.9 | Very high | 91.3 | Very high | 101 Ų | 101 | 48.7 Ų | 48.7 | 38% | 0.381 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.8 | -38.7 | 173.8 | -72.5 | 174.6 | -168.7 | 166.9 | 7.7 | 112 | S370 V371 H372 L376 R377 Q378 E413 L418 | S370-R374 VanDerWaalsContact O-CG 3.3Å; S370-R374 WeakPolarHBondContact O-CG 3.39Å; S370-R374 PolarHBondContact O-N 3.14Å; V371-R374 PolarHBondContact O-N 3.39Å; H372-R374 VanDerWaalsContact C-N 3.35Å; R374-L376 VanDerWaalsContact C-N 3.33Å; R374-L376 PolarHBondContact O-N 3.02Å; R374-R377 PolarHBondContact O-N 3.18Å; R374-Q378 PolarHBondContact O-N 3.11Å; R374-E413 IonicContact CZ-OE1 3.24Å; R374-E413 IonicContact CZ-OE2 3.91Å; R374-E413 IonicContact NE-OE1 3.08Å; R374-E413 PolarHBondContact NE-OE1 2.75Å; R374-E413 IonicContact NE-OE2 2.93Å; R374-E413 IonicContact NH2-OE1 2.9Å; R374-E413 PolarHBondContact NH2-OE1 3.05Å; R374-E413 IonicContact NH2-OE2 3.4Å; R374-E413 PolarHBondContact NH2-OE2 3.09Å; R374-L418 HydrophobicContact CG-CD1 4.45Å; R374-L418 HydrophobicContact CG-CD2 4.36Å |
| 375 | F | 94.9 | Very high | 91.2 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.9 | -37.9 | 175.8 | -65.8 | -20 | 0 | 0 | 0 | 113 | K46 D47 L49 F357 V371 H372 L373 Q378 R379 P380 V388 | K46-F375 VanDerWaalsContact O-CZ 3.27Å; K46-F375 WeakPolarHBondContact O-CZ 3.37Å; D47-F375 WeakPolarHBondContact O-CE1 3.28Å; L49-F375 HydrophobicContact CD1-CD2 4.41Å; L49-F375 HydrophobicContact CD1-CE2 3.82Å; L49-F375 HydrophobicContact CD1-CZ 3.91Å; L49-F375 HydrophobicContact CD2-CE2 4Å; L49-F375 HydrophobicContact CD2-CZ 3.79Å; L49-F375 HydrophobicContact CG-CE1 4.35Å; L49-F375 HydrophobicContact CG-CE2 3.98Å; L49-F375 HydrophobicContact CG-CZ 3.61Å; F357-F375 HydrophobicContact CZ-CE2 4.43Å; V371-F375 HydrophobicContact CG1-CD1 4.45Å; V371-F375 HydrophobicContact CG1-CD2 4.15Å; V371-F375 HydrophobicContact CG1-CE1 3.86Å; V371-F375 HydrophobicContact CG1-CE2 3.5Å; V371-F375 HydrophobicContact CG1-CZ 3.36Å; V371-F375 WeakPolarHBondContact O-CD1 3.27Å; V371-F375 VanDerWaalsContact O-CG 3.27Å; V371-F375 WeakPolarHBondContact O-CG 3.31Å; V371-F375 PolarHBondContact O-N 3.21Å; H372-F375 AromaticContact ND1-CD2 3.79Å; H372-F375 PolarHBondContact O-N 3.48Å; L373-F375 VanDerWaalsContact C-N 3.33Å; L373-F375 PolarHBondContact O-N 2.79Å; F375-Q378 WeakPolarHBondContact CA-O 3.47Å; F375-Q378 CarbonylContact O-C 3.35Å; F375-R379 WeakPolarHBondContact O-CA 3.43Å; F375-R379 PolarHBondContact O-N 2.9Å; F375-P380 HydrophobicContact CB-CG 4.3Å; F375-P380 HydrophobicContact CD1-CG 3.37Å; F375-P380 HydrophobicContact CE1-CG 3.65Å; F375-P380 HydrophobicContact CG-CG 3.84Å; F375-P380 HydrophobicContact CZ-CG 4.32Å; F375-V388 HydrophobicContact CB-CG1 3.63Å; F375-V388 HydrophobicContact CB-CG2 4.45Å |
| 376 | L | 94 | Very high | 91 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.5 | -43.3 | 174.8 | -73.6 | 170 | 0 | 0 | 0 | 111 | H372 L373 R374 V388 V389 F392 A422 S425 I426 | H372-L376 PolarHBondContact O-N 3.15Å; H372-L376 VanDerWaalsContact O-N 3.08Å; L373-L376 PolarHBondContact O-N 3.46Å; R374-L376 VanDerWaalsContact C-N 3.33Å; R374-L376 PolarHBondContact O-N 3.02Å; L376-V388 HydrophobicContact CD2-CG1 3.73Å; L376-V388 HydrophobicContact CG-CG1 3.99Å; L376-V389 HydrophobicContact CD2-CG2 4.24Å; L376-F392 HydrophobicContact CD1-CB 4.21Å; L376-F392 HydrophobicContact CD1-CD1 4.39Å; L376-F392 HydrophobicContact CD1-CD2 3.45Å; L376-F392 VanDerWaalsContact CD1-CD2 3.45Å; L376-F392 HydrophobicContact CD1-CE2 3.83Å; L376-F392 HydrophobicContact CD1-CG 3.77Å; L376-F392 HydrophobicContact CD1-CZ 4.46Å; L376-F392 HydrophobicContact CG-CD2 4.49Å; L376-A422 HydrophobicContact CB-CB 3.77Å; L376-A422 HydrophobicContact CD1-CB 3.88Å; L376-A422 HydrophobicContact CG-CB 4.49Å; L376-S425 VanDerWaalsContact O-CB 3.31Å; L376-S425 WeakPolarHBondContact O-CB 3.46Å; L376-S425 PolarHBondContact O-OG 3.44Å; L376-S425 VanDerWaalsContact O-OG 3.06Å; L376-I426 HydrophobicContact CD1-CD1 4.1Å; L376-I426 HydrophobicContact CD2-CD1 4Å; L376-I426 HydrophobicContact CD2-CG1 3.94Å |
| 377 | R | 91.5 | Very high | 91 | Very high | 138 Ų | 138 | 43.5 Ų | 43.5 | 52% | 0.521 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.4 | -44.3 | 175.9 | 177.3 | 177.8 | 173.9 | -153.1 | -7.4 | 112.7 | L373 R374 D421 | L373-R377 PolarHBondContact O-N 3.07Å; R374-R377 PolarHBondContact O-N 3.18Å; R377-D421 HydrophobicContact CB-CB 4.25Å; R377-D421 WeakPolarHBondContact CD-OD2 3.36Å; R377-D421 HydrophobicContact CG-CB 3.98Å; R377-D421 IonicContact CZ-OD2 3.5Å; R377-D421 IonicContact NE-OD2 3.22Å; R377-D421 PolarHBondContact NE-OD2 3.27Å |
| 378 | Q | 90.8 | Very high | 91.1 | Very high | 156 Ų | 156 | 40.4 Ų | 40.4 | 73% | 0.729 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -137 | 106.5 | -179.1 | -175.5 | 177.1 | 2.6 | 0 | 0 | 109.7 | R374 F375 | R374-Q378 PolarHBondContact O-N 3.11Å; F375-Q378 WeakPolarHBondContact CA-O 3.47Å; F375-Q378 CarbonylContact O-C 3.35Å |
| 379 | R | 89.3 | Confident | 91.1 | Very high | 97 Ų | 97 | 40.3 Ų | 40.3 | 37% | 0.366 | 20% | 0.204 | S | C | . | . | P | Polyproline II helix | trans | -60.8 | 130.2 | -178.2 | -165.4 | -177.3 | -52.8 | 170.6 | 4 | 111.3 | F375 V383 V388 D435 | F375-R379 WeakPolarHBondContact O-CA 3.43Å; F375-R379 PolarHBondContact O-N 2.9Å; R379-V383 WeakPolarHBondContact CD-O 3.15Å; R379-V383 WeakPolarHBondContact CG-O 3.42Å; R379-V388 HydrophobicContact CG-CG2 4.14Å; R379-D435 IonicContact NH1-OD2 3.18Å |
| 380 | P | 89.6 | Confident | 91.1 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 8% | 0.084 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 141.6 | 169.9 | -24.3 | 35.7 | 0 | 0 | 0 | 111.7 | L49 F375 G382 V383 | L49-P380 HydrophobicContact CD1-CB 4.36Å; L49-P380 HydrophobicContact CD1-CG 4.08Å; L49-P380 HydrophobicContact CG-CG 4.46Å; F375-P380 HydrophobicContact CB-CG 4.3Å; F375-P380 HydrophobicContact CD1-CG 3.37Å; F375-P380 HydrophobicContact CE1-CG 3.65Å; F375-P380 HydrophobicContact CG-CG 3.84Å; F375-P380 HydrophobicContact CZ-CG 4.32Å; P380-G382 PolarHBondContact O-N 3.18Å; P380-V383 HydrophobicContact CB-CB 4.33Å; P380-V383 HydrophobicContact CB-CG2 4.09Å; P380-V383 PolarHBondContact O-N 3.29Å |
| 381 | E | 83 | Confident | 91.1 | Very high | 146 Ų | 146 | 42.2 Ų | 42.2 | 68% | 0.682 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 131.2 | 179.9 | -66.8 | 179.2 | -167.2 | 0 | 0 | 111.8 | R50 V383 | R50-E381 IonicContact CZ-OE2 2.84Å; R50-E381 IonicContact NH2-OE1 2.66Å; R50-E381 IonicContact NH2-OE2 3.26Å; R50-E381 PolarHBondContact NH2-OE2 2.78Å; E381-V383 VanDerWaalsContact C-N 3.28Å; E381-V383 PolarHBondContact O-N 2.98Å |
| 382 | G | 81.2 | Confident | 91.3 | Very high | 88 Ų | 88 | 42 Ų | 42 | 91% | 0.907 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | -1.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | P380 | P380-G382 PolarHBondContact O-N 3.18Š|
| 383 | V | 85.8 | Confident | 91.3 | Very high | 21 Ų | 21 | 42.7 Ų | 42.7 | 13% | 0.127 | 21% | 0.214 | C | C | . | . | trans | -101.5 | 134.4 | 174.5 | -175.9 | 0 | 0 | 0 | 0 | 109 | L49 R379 P380 E381 E387 V388 | L49-V383 HydrophobicContact CB-CG2 4.41Å; L49-V383 HydrophobicContact CD1-CG2 4.07Å; R379-V383 WeakPolarHBondContact CD-O 3.15Å; R379-V383 WeakPolarHBondContact CG-O 3.42Å; P380-V383 HydrophobicContact CB-CB 4.33Å; P380-V383 HydrophobicContact CB-CG2 4.09Å; P380-V383 PolarHBondContact O-N 3.29Å; E381-V383 VanDerWaalsContact C-N 3.28Å; E381-V383 PolarHBondContact O-N 2.98Å; V383-E387 HydrophobicContact CG1-CB 3.82Å; V383-E387 HydrophobicContact CG1-CG 3.81Å; V383-V388 HydrophobicContact CG1-CG2 3.97Å | ||
| 384 | S | 87.7 | Confident | 91.3 | Very high | 26 Ų | 26 | 43.4 Ų | 43.4 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | trans | -72.2 | 156.9 | 178.2 | 70.9 | 0 | 0 | 0 | 0 | 111.1 | W386 E387 V388 | S384-W386 VanDerWaalsContact C-N 3.26Å; S384-W386 PolarHBondContact O-N 3.27Å; S384-E387 PolarHBondContact O-N 3.03Å; S384-E387 WeakPolarHBondContact OG-CB 3Å; S384-E387 PolarHBondContact OG-N 2.65Å; S384-E387 VanDerWaalsContact OG-N 3.14Å; S384-V388 PolarHBondContact O-N 3.31Å | ||
| 385 | F | 89.5 | Confident | 91.3 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.8 | -45.1 | 174.5 | 178 | -103 | 0 | 0 | 0 | 112 | E387 V388 V389 I426 Q429 | F385-E387 VanDerWaalsContact C-N 3.33Å; F385-E387 PolarHBondContact O-N 2.71Å; F385-V388 WeakPolarHBondContact O-CA 3.15Å; F385-V388 WeakPolarHBondContact O-CB 3.31Å; F385-V388 PolarHBondContact O-N 2.9Å; F385-V389 HydrophobicContact CD1-CG2 4.03Å; F385-V389 HydrophobicContact CE1-CG2 3.45Å; F385-V389 VanDerWaalsContact CE1-CG2 3.45Å; F385-V389 HydrophobicContact CE2-CG2 4.19Å; F385-V389 HydrophobicContact CZ-CG2 3.53Å; F385-V389 PolarHBondContact O-N 3.15Å; F385-I426 HydrophobicContact CZ-CG1 4.16Å; F385-Q429 HydrophobicContact CD1-CB 4.21Å; F385-Q429 HydrophobicContact CD1-CG 3.52Å; F385-Q429 HydrophobicContact CD2-CG 4.4Å; F385-Q429 HydrophobicContact CE1-CB 3.83Å; F385-Q429 HydrophobicContact CE1-CG 3.64Å; F385-Q429 HydrophobicContact CE2-CB 4.39Å; F385-Q429 HydrophobicContact CG-CG 3.92Å; F385-Q429 HydrophobicContact CZ-CB 3.94Å; F385-Q429 HydrophobicContact CZ-CG 4.17Å |
| 386 | W | 89.1 | Confident | 91.3 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 2% | 0.023 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.5 | -35.4 | -177.4 | -67.8 | 118 | 0 | 0 | 0 | 112.8 | S384 V388 V389 Q390 T431 L472 Q476 | S384-W386 VanDerWaalsContact C-N 3.26Å; S384-W386 PolarHBondContact O-N 3.27Å; W386-V388 VanDerWaalsContact C-N 3.32Å; W386-V388 PolarHBondContact O-N 2.94Å; W386-V389 HydrophobicContact CE3-CB 4.48Å; W386-V389 HydrophobicContact CE3-CG2 4.48Å; W386-V389 PolarHBondContact O-N 2.9Å; W386-Q390 WeakPolarHBondContact O-CG 3.49Å; W386-Q390 PolarHBondContact O-N 2.97Å; W386-T431 HydrophobicContact CH2-CG2 4.03Å; W386-T431 HydrophobicContact CZ2-CG2 4.04Å; W386-L472 HydrophobicContact CB-CD2 3.87Å; W386-L472 HydrophobicContact CD2-CB 4.08Å; W386-L472 HydrophobicContact CD2-CD1 3.93Å; W386-L472 HydrophobicContact CD2-CD2 3.99Å; W386-L472 HydrophobicContact CD2-CG 4.23Å; W386-L472 HydrophobicContact CE3-CB 3.98Å; W386-L472 HydrophobicContact CE3-CD2 4.08Å; W386-L472 HydrophobicContact CE3-CG 4.45Å; W386-L472 HydrophobicContact CG-CD1 3.84Å; W386-L472 HydrophobicContact CG-CD2 3.92Å; W386-L472 HydrophobicContact CG-CG 4.38Å; W386-L472 HydrophobicContact CH2-CB 4.19Å; W386-L472 HydrophobicContact CZ2-CB 4.28Å; W386-L472 HydrophobicContact CZ3-CB 4.04Å; W386-L472 VanDerWaalsContact CZ3-O 3.24Å; W386-L472 WeakPolarHBondContact CZ3-O 3.28Å; W386-Q476 HydrophobicContact CH2-CB 4.21Å; W386-Q476 HydrophobicContact CH2-CG 4.39Å; W386-Q476 HydrophobicContact CZ3-CB 3.95Å; W386-Q476 HydrophobicContact CZ3-CG 4.35Å |
| 387 | E | 89.5 | Confident | 91.3 | Very high | 17 Ų | 17 | 39.5 Ų | 39.5 | 8% | 0.079 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.9 | -37.3 | 171.5 | -179 | 173.2 | 168.1 | 0 | 0 | 111.2 | V383 S384 F385 Q390 R391 R444 | V383-E387 HydrophobicContact CG1-CB 3.82Å; V383-E387 HydrophobicContact CG1-CG 3.81Å; S384-E387 PolarHBondContact O-N 3.03Å; S384-E387 WeakPolarHBondContact OG-CB 3Å; S384-E387 PolarHBondContact OG-N 2.65Å; S384-E387 VanDerWaalsContact OG-N 3.14Å; F385-E387 VanDerWaalsContact C-N 3.33Å; F385-E387 PolarHBondContact O-N 2.71Å; E387-Q390 PolarHBondContact O-N 2.64Å; E387-R391 HydrophobicContact CG-CG 4.4Å; E387-R391 WeakPolarHBondContact O-CB 3.44Å; E387-R391 VanDerWaalsContact O-CG 3.27Å; E387-R391 WeakPolarHBondContact O-CG 3.36Å; E387-R391 PolarHBondContact O-N 3.04Å; E387-R391 IonicContact OE1-CZ 2.72Å; E387-R391 IonicContact OE1-NE 2.76Å; E387-R391 PolarHBondContact OE1-NE 2.9Å; E387-R391 VanDerWaalsContact OE1-NE 3.08Å; E387-R391 IonicContact OE1-NH2 3.15Å; E387-R391 PolarHBondContact OE1-NH2 3.22Å; E387-R444 IonicContact OE1-CZ 2.9Å; E387-R444 IonicContact OE1-NH1 3.8Å; E387-R444 PolarHBondContact OE1-NH1 3.06Å; E387-R444 IonicContact OE2-NH1 2.71Å; E387-R444 PolarHBondContact OE2-NH1 3.17Å |
| 388 | V | 94 | Very high | 91.5 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62 | -44.4 | 174 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | F375 L376 R379 V383 S384 F385 W386 R391 F392 | F375-V388 HydrophobicContact CB-CG1 3.63Å; F375-V388 HydrophobicContact CB-CG2 4.45Å; L376-V388 HydrophobicContact CD2-CG1 3.73Å; L376-V388 HydrophobicContact CG-CG1 3.99Å; R379-V388 HydrophobicContact CG-CG2 4.14Å; V383-V388 HydrophobicContact CG1-CG2 3.97Å; S384-V388 PolarHBondContact O-N 3.31Å; F385-V388 WeakPolarHBondContact O-CA 3.15Å; F385-V388 WeakPolarHBondContact O-CB 3.31Å; F385-V388 PolarHBondContact O-N 2.9Å; W386-V388 VanDerWaalsContact C-N 3.32Å; W386-V388 PolarHBondContact O-N 2.94Å; V388-R391 PolarHBondContact O-N 3.13Å; V388-F392 WeakPolarHBondContact O-CB 3.49Å; V388-F392 PolarHBondContact O-N 2.76Å |
| 389 | V | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 176.4 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | L376 F385 W386 R391 F392 N393 A475 A479 | L376-V389 HydrophobicContact CD2-CG2 4.24Å; F385-V389 HydrophobicContact CD1-CG2 4.03Å; F385-V389 HydrophobicContact CE1-CG2 3.45Å; F385-V389 VanDerWaalsContact CE1-CG2 3.45Å; F385-V389 HydrophobicContact CE2-CG2 4.19Å; F385-V389 HydrophobicContact CZ-CG2 3.53Å; F385-V389 PolarHBondContact O-N 3.15Å; W386-V389 HydrophobicContact CE3-CB 4.48Å; W386-V389 HydrophobicContact CE3-CG2 4.48Å; W386-V389 PolarHBondContact O-N 2.9Å; V389-R391 PolarHBondContact O-N 2.96Å; V389-F392 WeakPolarHBondContact O-CB 3.39Å; V389-F392 PolarHBondContact O-N 2.98Å; V389-N393 PolarHBondContact O-N 3.25Å; V389-A475 HydrophobicContact CG1-CB 4.41Å; V389-A479 HydrophobicContact CG1-CB 3.91Å |
| 390 | Q | 93.8 | Very high | 91.6 | Very high | 36 Ų | 36 | 22.7 Ų | 22.7 | 17% | 0.168 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.6 | -41 | 177 | -72.4 | 176.2 | -34.6 | 0 | 0 | 111.9 | L355 W386 E387 F392 N393 A394 | L355-Q390 HydrophobicContact CD1-CB 3.8Å; W386-Q390 WeakPolarHBondContact O-CG 3.49Å; W386-Q390 PolarHBondContact O-N 2.97Å; E387-Q390 PolarHBondContact O-N 2.64Å; Q390-F392 VanDerWaalsContact C-N 3.34Å; Q390-F392 PolarHBondContact O-N 2.73Å; Q390-N393 PolarHBondContact O-N 2.89Å; Q390-A394 VanDerWaalsContact O-CB 3.27Å; Q390-A394 WeakPolarHBondContact O-CB 3.25Å; Q390-A394 PolarHBondContact O-N 2.66Å |
| 391 | R | 94.8 | Very high | 91.7 | Very high | 15 Ų | 15 | 22.8 Ų | 22.8 | 6% | 0.057 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 173.2 | -76.7 | 176.7 | 179.1 | -73.9 | -2.9 | 111.8 | L355 E387 V388 V389 A394 N395 | L355-R391 HydrophobicContact CB-CG 4.02Å; L355-R391 HydrophobicContact CD1-CG 4.38Å; L355-R391 HydrophobicContact CD2-CG 3.89Å; L355-R391 HydrophobicContact CG-CG 4.31Å; E387-R391 HydrophobicContact CG-CG 4.4Å; E387-R391 WeakPolarHBondContact O-CB 3.44Å; E387-R391 VanDerWaalsContact O-CG 3.27Å; E387-R391 WeakPolarHBondContact O-CG 3.36Å; E387-R391 PolarHBondContact O-N 3.04Å; E387-R391 IonicContact OE1-CZ 2.72Å; E387-R391 IonicContact OE1-NE 2.76Å; E387-R391 PolarHBondContact OE1-NE 2.9Å; E387-R391 VanDerWaalsContact OE1-NE 3.08Å; E387-R391 IonicContact OE1-NH2 3.15Å; E387-R391 PolarHBondContact OE1-NH2 3.22Å; V388-R391 PolarHBondContact O-N 3.13Å; V389-R391 PolarHBondContact O-N 2.96Å; R391-A394 PolarHBondContact O-N 3.21Å; R391-N395 PolarHBondContact O-N 3.08Å; R391-N395 PolarHBondContact O-ND2 3.17Å |
| 392 | F | 96.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.7 | -52.5 | 174.7 | 176.8 | -92.8 | 0 | 0 | 0 | 110.7 | H372 L373 L376 V388 V389 Q390 A394 N395 I396 A479 R482 L483 | H372-F392 HydrophobicContact CB-CD2 4Å; L373-F392 HydrophobicContact CD2-CE2 4.12Å; L376-F392 HydrophobicContact CD1-CB 4.21Å; L376-F392 HydrophobicContact CD1-CD1 4.39Å; L376-F392 HydrophobicContact CD1-CD2 3.45Å; L376-F392 VanDerWaalsContact CD1-CD2 3.45Å; L376-F392 HydrophobicContact CD1-CE2 3.83Å; L376-F392 HydrophobicContact CD1-CG 3.77Å; L376-F392 HydrophobicContact CD1-CZ 4.46Å; L376-F392 HydrophobicContact CG-CD2 4.49Å; V388-F392 WeakPolarHBondContact O-CB 3.49Å; V388-F392 PolarHBondContact O-N 2.76Å; V389-F392 WeakPolarHBondContact O-CB 3.39Å; V389-F392 PolarHBondContact O-N 2.98Å; Q390-F392 VanDerWaalsContact C-N 3.34Å; Q390-F392 PolarHBondContact O-N 2.73Å; F392-A394 VanDerWaalsContact C-N 3.29Å; F392-A394 PolarHBondContact O-N 3.25Å; F392-N395 PolarHBondContact O-N 3.42Å; F392-N395 VanDerWaalsContact O-N 3.13Å; F392-I396 HydrophobicContact CD1-CG1 4.44Å; F392-I396 HydrophobicContact CD2-CG1 3.72Å; F392-I396 HydrophobicContact CE1-CB 4.36Å; F392-I396 HydrophobicContact CE1-CG1 4.29Å; F392-I396 HydrophobicContact CE2-CB 4.41Å; F392-I396 HydrophobicContact CE2-CD1 4.43Å; F392-I396 HydrophobicContact CE2-CG1 3.54Å; F392-I396 HydrophobicContact CG-CG1 4.17Å; F392-I396 HydrophobicContact CZ-CB 4.21Å; F392-I396 HydrophobicContact CZ-CG1 3.84Å; F392-I396 HydrophobicContact CZ-CG2 4.18Å; F392-I396 WeakPolarHBondContact O-CB 3.37Å; F392-I396 WeakPolarHBondContact O-CG1 3.39Å; F392-I396 PolarHBondContact O-N 3Å; F392-A479 HydrophobicContact CD1-CB 3.85Å; F392-A479 HydrophobicContact CE1-CB 4.1Å; F392-R482 HydrophobicContact CE1-CB 3.92Å; F392-R482 HydrophobicContact CZ-CB 4.33Å; F392-L483 HydrophobicContact CE1-CG 4.24Å; F392-L483 HydrophobicContact CE2-CD2 4.13Å; F392-L483 HydrophobicContact CZ-CD2 3.68Å; F392-L483 HydrophobicContact CZ-CG 3.81Å |
| 393 | N | 96.3 | Very high | 92 | Very high | 16 Ų | 16 | 19.5 Ų | 19.5 | 9% | 0.086 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.1 | -35.1 | 178.9 | -73.8 | -22.9 | 0 | 0 | 0 | 113.6 | V389 Q390 N395 A475 A479 R482 | V389-N393 PolarHBondContact O-N 3.25Å; Q390-N393 PolarHBondContact O-N 2.89Å; N393-N395 VanDerWaalsContact C-N 3.28Å; N393-N395 PolarHBondContact O-N 2.85Å; N393-A475 PolarHBondContact ND2-O 3.01Å; N393-A479 WeakPolarHBondContact OD1-CA 3.46Å; N393-A479 WeakPolarHBondContact OD1-CB 3.32Å; N393-A479 PolarHBondContact OD1-N 2.74Å; N393-R482 PolarHBondContact O-NH2 3.29Å; N393-R482 PolarHBondContact OD1-NH1 3.41Å |
| 394 | A | 95.3 | Very high | 91.7 | Very high | 19 Ų | 19 | 19.2 Ų | 19.2 | 16% | 0.157 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -70.6 | -22.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L355 R356 Q390 R391 F392 | L355-A394 HydrophobicContact CB-CB 3.87Å; R356-A394 HydrophobicContact CB-CB 4.45Å; R356-A394 VanDerWaalsContact CD-O 3.31Å; R356-A394 WeakPolarHBondContact CD-O 3.37Å; R356-A394 WeakPolarHBondContact CG-O 3.39Å; R356-A394 PolarHBondContact NH1-O 3.13Å; Q390-A394 VanDerWaalsContact O-CB 3.27Å; Q390-A394 WeakPolarHBondContact O-CB 3.25Å; Q390-A394 PolarHBondContact O-N 2.66Å; R391-A394 PolarHBondContact O-N 3.21Å; F392-A394 VanDerWaalsContact C-N 3.29Å; F392-A394 PolarHBondContact O-N 3.25Å |
| 395 | N | 95.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.011 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -105.9 | -40.9 | -176.9 | -74 | -84.4 | 0 | 0 | 0 | 113 | L355 R356 F357 V368 H372 R391 F392 N393 | L355-N395 PolarHBondContact O-ND2 3.07Å; R356-N395 WeakPolarHBondContact CA-OD1 3.43Å; R356-N395 PolarHBondContact NH1-O 2.92Å; F357-N395 PolarHBondContact N-OD1 3.39Å; V368-N395 HydrophobicContact CG1-CB 4.05Å; H372-N395 PolarHBondContact CE1-ND2 3.37Å; H372-N395 PolarHBondContact NE2-ND2 3.03Å; H372-N395 VanDerWaalsContact NE2-ND2 3.11Å; R391-N395 PolarHBondContact O-N 3.08Å; R391-N395 PolarHBondContact O-ND2 3.17Å; F392-N395 PolarHBondContact O-N 3.42Å; F392-N395 VanDerWaalsContact O-N 3.13Å; N393-N395 VanDerWaalsContact C-N 3.28Å; N393-N395 PolarHBondContact O-N 2.85Å |
| 396 | I | 95.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -82.6 | 133.9 | -176.4 | -55 | -54.8 | 0 | 0 | 0 | 110.6 | E369 F392 L401 R482 | E369-I396 HydrophobicContact CB-CD1 4.02Å; E369-I396 HydrophobicContact CG-CD1 3.66Å; F392-I396 HydrophobicContact CD1-CG1 4.44Å; F392-I396 HydrophobicContact CD2-CG1 3.72Å; F392-I396 HydrophobicContact CE1-CB 4.36Å; F392-I396 HydrophobicContact CE1-CG1 4.29Å; F392-I396 HydrophobicContact CE2-CB 4.41Å; F392-I396 HydrophobicContact CE2-CD1 4.43Å; F392-I396 HydrophobicContact CE2-CG1 3.54Å; F392-I396 HydrophobicContact CG-CG1 4.17Å; F392-I396 HydrophobicContact CZ-CB 4.21Å; F392-I396 HydrophobicContact CZ-CG1 3.84Å; F392-I396 HydrophobicContact CZ-CG2 4.18Å; F392-I396 WeakPolarHBondContact O-CB 3.37Å; F392-I396 WeakPolarHBondContact O-CG1 3.39Å; F392-I396 PolarHBondContact O-N 3Å; I396-L401 HydrophobicContact CD1-CD2 4.28Å; I396-L401 HydrophobicContact CG2-CG 4.14Å; I396-R482 HydrophobicContact CG2-CB 4.15Å; I396-R482 HydrophobicContact CG2-CG 4.38Å; I396-R482 PolarHBondContact O-NE 2.91Å |
| 397 | A | 93.8 | Very high | 89.2 | Confident | 25 Ų | 25 | 31.9 Ų | 31.9 | 21% | 0.207 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -64.6 | 151.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | D343 S399 G400 R482 | D343-A397 WeakPolarHBondContact OD1-CB 3.47Å; A397-S399 VanDerWaalsContact C-N 3.26Å; A397-S399 PolarHBondContact O-N 2.88Å; A397-G400 PolarHBondContact O-N 3Å; A397-G400 VanDerWaalsContact O-N 3.14Å; A397-R482 WeakPolarHBondContact O-CG 3.42Å |
| 398 | Y | 94.2 | Very high | 87.7 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -28.4 | -178 | -160.1 | -116.9 | 0 | 0 | 0 | 111.9 | D343 Y345 G400 H478 R481 R482 D524 | D343-Y398 WeakPolarHBondContact O-CB 3.49Å; D343-Y398 PolarHBondContact OD1-N 3.01Å; Y345-Y398 VanDerWaalsContact CB-CE2 3.49Å; Y345-Y398 AromaticContact CD1-CD2 3.91Å; Y345-Y398 HydrophobicContact CD1-CD2 3.91Å; Y345-Y398 HydrophobicContact CD1-CE2 4.47Å; Y345-Y398 HydrophobicContact CD1-CG 4.03Å; Y345-Y398 HydrophobicContact CD2-CD2 4.18Å; Y345-Y398 AromaticContact CD2-CE2 3.98Å; Y345-Y398 HydrophobicContact CD2-CE2 3.98Å; Y345-Y398 HydrophobicContact CG-CD1 4.37Å; Y345-Y398 AromaticContact CG-CD2 3.66Å; Y345-Y398 HydrophobicContact CG-CD2 3.66Å; Y345-Y398 HydrophobicContact CG-CE1 4.41Å; Y345-Y398 AromaticContact CG-CE2 3.76Å; Y345-Y398 HydrophobicContact CG-CE2 3.76Å; Y345-Y398 AromaticContact CG-CG 4Å; Y345-Y398 HydrophobicContact CG-CG 4Å; Y398-G400 PolarHBondContact O-N 2.99Å; Y398-H478 AromaticContact CE2-CD2 3.72Å; Y398-R481 VanDerWaalsContact CD1-NE 3.33Å; Y398-R481 HydrophobicContact CE2-CG 4.49Å; Y398-R481 VanDerWaalsContact CZ-CD 3.48Å; Y398-R481 VanDerWaalsContact CZ-NH1 3.32Å; Y398-R481 WeakPolarHBondContact O-CD 3.47Å; Y398-R481 PolarHBondContact O-NE 3.04Å; Y398-R481 PolarHBondContact OH-NH1 3.45Å; Y398-R482 VanDerWaalsContact CD2-NH1 3.34Å; Y398-D524 PolarHBondContact OH-OD2 3.2Å |
| 399 | S | 91.3 | Very high | 86.4 | Confident | 33 Ų | 33 | 41.9 Ų | 41.9 | 23% | 0.231 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -14.7 | 172.6 | 58.1 | 0 | 0 | 0 | 0 | 114.3 | D343 A397 A485 | D343-S399 WeakPolarHBondContact OD1-CB 3.36Å; D343-S399 PolarHBondContact OD1-N 3.27Å; D343-S399 PolarHBondContact OD1-OG 3.32Å; A397-S399 VanDerWaalsContact C-N 3.26Å; A397-S399 PolarHBondContact O-N 2.88Å; S399-A485 VanDerWaalsContact O-CB 3.3Å; S399-A485 WeakPolarHBondContact O-CB 3.35Å |
| 400 | G | 91.9 | Very high | 85.1 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | 124.9 | -164.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A397 Y398 R482 | A397-G400 PolarHBondContact O-N 3Å; A397-G400 VanDerWaalsContact O-N 3.14Å; Y398-G400 PolarHBondContact O-N 2.99Å; G400-R482 WeakPolarHBondContact CA-O 3.33Å |
| 401 | L | 91 | Very high | 84 | Confident | 15 Ų | 15 | 56.6 Ų | 56.6 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | trans | -88.2 | 128.8 | 171.4 | -70.8 | 100.6 | 0 | 0 | 0 | 110 | E369 L373 I396 A404 I419 L483 | E369-L401 HydrophobicContact CB-CD2 4.16Å; L373-L401 HydrophobicContact CD1-CD2 3.92Å; L373-L401 HydrophobicContact CD2-CD2 4.23Å; L373-L401 HydrophobicContact CG-CD2 4.14Å; I396-L401 HydrophobicContact CD1-CD2 4.28Å; I396-L401 HydrophobicContact CG2-CG 4.14Å; L401-A404 HydrophobicContact CB-CB 4.1Å; L401-I419 HydrophobicContact CD1-CD1 4.29Å; L401-I419 HydrophobicContact CD1-CG1 4.28Å; L401-I419 HydrophobicContact CD2-CD1 4.37Å; L401-I419 HydrophobicContact CD2-CG1 4.25Å; L401-L483 HydrophobicContact CD1-CD2 4.17Å | ||
| 402 | L | 85.9 | Confident | 82.8 | Confident | 94.5 Ų | 94.5 | 57.9 Ų | 57.9 | 50% | 0.495 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -32.3 | -178.8 | -64.4 | 172.4 | 0 | 0 | 0 | 112 | S363 E369 | S363-L402 VanDerWaalsContact CB-CD1 3.46Å; E369-L402 PolarHBondContact OE1-N 2.82Å; E369-L402 PolarHBondContact OE2-N 2.97Å |
| 403 | H | 85 | Confident | 81.7 | Confident | 70 Ų | 70 | 60.5 Ų | 60.5 | 32% | 0.324 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 35.9 | -177.1 | -59.3 | -85.4 | 0 | 0 | 0 | 111.9 | A364 E366 E369 V405 K415 | A364-H403 PolarHBondContact O-CD2 3.09Å; A364-H403 PolarHBondContact O-NE2 3.36Å; E366-H403 VanDerWaalsContact CA-CD2 3.42Å; E366-H403 WeakPolarHBondContact CA-CD2 3.16Å; E366-H403 HydrophobicContact CB-CB 3.86Å; E366-H403 HydrophobicContact CG-CB 3.82Å; E366-H403 PolarHBondContact N-CD2 3.48Å; E366-H403 PolarHBondContact N-NE2 3.22Å; E369-H403 WeakPolarHBondContact OE2-CA 3.42Å; E369-H403 VanDerWaalsContact OE2-CB 3.31Å; E369-H403 WeakPolarHBondContact OE2-CB 3.41Å; E369-H403 IonicContact OE2-CD2 2.84Å; E369-H403 IonicContact OE2-CG 3.82Å; E369-H403 PolarHBondContact OE2-N 3.14Å; H403-V405 PolarHBondContact O-N 3.46Å; H403-V405 VanDerWaalsContact O-N 3.09Å; H403-K415 WeakPolarHBondContact O-CD 3.27Å; H403-K415 WeakPolarHBondContact O-CE 3.44Å; H403-K415 PolarHBondContact O-NZ 2.86Å |
| 404 | A | 79.3 | Confident | 81.1 | Confident | 16.5 Ų | 16.5 | 63.7 Ų | 63.7 | 14% | 0.136 | 36% | 0.363 | C | S | . | . | trans | -69.8 | -17.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115 | L401 K415 I419 | L401-A404 HydrophobicContact CB-CB 4.1Å; A404-K415 WeakPolarHBondContact O-CB 3.38Å; A404-I419 HydrophobicContact CB-CD1 3.88Å | ||
| 405 | V | 75.5 | Confident | 80.7 | Confident | 121.5 Ų | 121.5 | 63.3 Ų | 63.3 | 74% | 0.736 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -81.9 | 132.5 | -178.1 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | H403 K415 | H403-V405 PolarHBondContact O-N 3.46Å; H403-V405 VanDerWaalsContact O-N 3.09Å; V405-K415 WeakPolarHBondContact O-CD 3.49Å; V405-K415 WeakPolarHBondContact O-CE 3.31Å; V405-K415 PolarHBondContact O-NZ 3.09Å |
| 406 | T | 71.6 | Confident | 80.2 | Confident | 45 Ų | 45 | 67.5 Ų | 67.5 | 28% | 0.276 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 129.3 | 174 | -57.9 | 0 | 0 | 0 | 0 | 109.3 | E413 K415 | T406-E413 WeakPolarHBondContact CG2-O 3.46Å; T406-K415 PolarHBondContact OG1-N 2.93Å |
| 407 | Q | 67.3 | Low | 79.9 | Confident | 134.5 Ų | 134.5 | 72.6 Ų | 72.6 | 63% | 0.629 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -78.3 | 154 | 173 | -60 | -162.4 | 9.5 | 0 | 0 | 111.1 | G409 A412 | Q407-G409 PolarHBondContact O-N 3.32Å; Q407-A412 WeakPolarHBondContact O-CB 3.39Å |
| 408 | D | 58.7 | Low | 79.8 | Confident | 176 Ų | 176 | 71.6 Ų | 71.6 | 94% | 0.941 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -73.9 | 126 | 176.4 | -73.9 | -41 | 0 | 0 | 0 | 111.8 | ||
| 409 | G | 66.4 | Low | 79.7 | Confident | 53 Ų | 53 | 71.5 Ų | 71.5 | 55% | 0.546 | 39% | 0.39 | S | S | . | . | S | Bend | trans | 167 | 149.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q407 F411 A412 | Q407-G409 PolarHBondContact O-N 3.32Å; G409-F411 PolarHBondContact O-N 3.26Å; G409-A412 VanDerWaalsContact O-CB 3.29Å; G409-A412 WeakPolarHBondContact O-CB 3.15Å; G409-A412 PolarHBondContact O-N 2.85Å |
| 410 | V | 67.1 | Low | 79.7 | Confident | 142 Ų | 142 | 71.6 Ų | 71.6 | 86% | 0.861 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -28.6 | -178.7 | -178.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 411 | F | 69.7 | Low | 79.7 | Confident | 204 Ų | 204 | 73.4 Ų | 73.4 | 90% | 0.895 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | 8.4 | 177.9 | -56.4 | -70.6 | 0 | 0 | 0 | 113.2 | G409 | G409-F411 PolarHBondContact O-N 3.26Š|
| 412 | A | 70.6 | Confident | 79.9 | Confident | 41 Ų | 41 | 72.7 Ų | 72.7 | 34% | 0.339 | 39% | 0.391 | S | S | . | . | trans | -70.3 | 135.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q407 G409 N414 | Q407-A412 WeakPolarHBondContact O-CB 3.39Å; G409-A412 VanDerWaalsContact O-CB 3.29Å; G409-A412 WeakPolarHBondContact O-CB 3.15Å; G409-A412 PolarHBondContact O-N 2.85Å; A412-N414 PolarHBondContact O-N 3.24Å | ||
| 413 | E | 74.2 | Confident | 80.2 | Confident | 54.5 Ų | 54.5 | 68.4 Ų | 68.4 | 26% | 0.255 | 37% | 0.369 | S | S | . | . | trans | -76.6 | 124.9 | 178.8 | -177.9 | 168.1 | -135.4 | 0 | 0 | 110.4 | R374 T406 K415 L418 | R374-E413 IonicContact CZ-OE1 3.24Å; R374-E413 IonicContact CZ-OE2 3.91Å; R374-E413 IonicContact NE-OE1 3.08Å; R374-E413 PolarHBondContact NE-OE1 2.75Å; R374-E413 IonicContact NE-OE2 2.93Å; R374-E413 IonicContact NH2-OE1 2.9Å; R374-E413 PolarHBondContact NH2-OE1 3.05Å; R374-E413 IonicContact NH2-OE2 3.4Å; R374-E413 PolarHBondContact NH2-OE2 3.09Å; T406-E413 WeakPolarHBondContact CG2-O 3.46Å; E413-K415 WeakPolarHBondContact O-CG 3.4Å; E413-K415 PolarHBondContact O-N 3.31Å; E413-K415 IonicContact OE2-NZ 2.84Å; E413-K415 PolarHBondContact OE2-NZ 2.79Å; E413-L418 VanDerWaalsContact CD-CD1 3.4Å; E413-L418 HydrophobicContact CG-CD1 3.89Å; E413-L418 HydrophobicContact CG-CG 4.38Å; E413-L418 WeakPolarHBondContact OE1-CD1 3.13Å | ||
| 414 | N | 83.8 | Confident | 80.5 | Confident | 85 Ų | 85 | 68.3 Ų | 68.3 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | trans | -70.1 | 94.3 | 176.9 | -172.4 | -38.5 | 0 | 0 | 0 | 110.6 | A412 E416 K417 L418 | A412-N414 PolarHBondContact O-N 3.24Å; N414-E416 VanDerWaalsContact C-N 3.33Å; N414-E416 PolarHBondContact O-N 3.22Å; N414-E416 PolarHBondContact OD1-N 3.25Å; N414-K417 HydrophobicContact CB-CB 4.16Å; N414-K417 WeakPolarHBondContact O-CB 3.48Å; N414-K417 PolarHBondContact O-N 3.04Å; N414-K417 WeakPolarHBondContact OD1-CB 3.32Å; N414-K417 PolarHBondContact OD1-N 2.82Å; N414-L418 PolarHBondContact O-N 2.99Å; N414-L418 VanDerWaalsContact O-N 3.17Å | ||
| 415 | K | 85.3 | Confident | 81.1 | Confident | 9.5 Ų | 9.5 | 68.8 Ų | 68.8 | 4% | 0.041 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.3 | -33.8 | -177.4 | -58 | -116.8 | -172 | 171.1 | 0 | 112.2 | E366 S370 H403 A404 V405 T406 E413 K417 L418 I419 | E366-K415 WeakPolarHBondContact OE1-CE 3.3Å; E366-K415 IonicContact OE1-NZ 2.87Å; E366-K415 PolarHBondContact OE1-NZ 2.95Å; S370-K415 PolarHBondContact OG-NZ 2.74Å; H403-K415 WeakPolarHBondContact O-CD 3.27Å; H403-K415 WeakPolarHBondContact O-CE 3.44Å; H403-K415 PolarHBondContact O-NZ 2.86Å; A404-K415 WeakPolarHBondContact O-CB 3.38Å; V405-K415 WeakPolarHBondContact O-CD 3.49Å; V405-K415 WeakPolarHBondContact O-CE 3.31Å; V405-K415 PolarHBondContact O-NZ 3.09Å; T406-K415 PolarHBondContact OG1-N 2.93Å; E413-K415 WeakPolarHBondContact O-CG 3.4Å; E413-K415 PolarHBondContact O-N 3.31Å; E413-K415 IonicContact OE2-NZ 2.84Å; E413-K415 PolarHBondContact OE2-NZ 2.79Å; K415-K417 VanDerWaalsContact C-N 3.29Å; K415-K417 PolarHBondContact O-N 3.05Å; K415-L418 WeakPolarHBondContact O-CB 3.35Å; K415-L418 PolarHBondContact O-N 3.21Å; K415-L418 VanDerWaalsContact O-N 3.16Å; K415-I419 VanDerWaalsContact O-CG1 3.32Å; K415-I419 WeakPolarHBondContact O-CG1 3.47Å; K415-I419 PolarHBondContact O-N 3.32Å |
| 416 | E | 86.8 | Confident | 81.9 | Confident | 91 Ų | 91 | 63 Ų | 63 | 43% | 0.425 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 174.8 | -65.2 | -159.8 | -179.1 | 0 | 0 | 111.1 | N414 L418 I419 K420 A488 | N414-E416 VanDerWaalsContact C-N 3.33Å; N414-E416 PolarHBondContact O-N 3.22Å; N414-E416 PolarHBondContact OD1-N 3.25Å; E416-L418 VanDerWaalsContact C-N 3.32Å; E416-L418 PolarHBondContact O-N 3.33Å; E416-I419 PolarHBondContact O-N 3.26Å; E416-K420 HydrophobicContact CB-CD 4.43Å; E416-K420 WeakPolarHBondContact O-CB 3.4Å; E416-K420 WeakPolarHBondContact O-CD 3.36Å; E416-K420 VanDerWaalsContact O-CG 3.23Å; E416-K420 WeakPolarHBondContact O-CG 3.42Å; E416-K420 PolarHBondContact O-N 2.92Å; E416-K420 IonicContact OE2-NZ 3.77Å; E416-K420 PolarHBondContact OE2-NZ 2.74Å; E416-A488 HydrophobicContact CB-CB 4.1Å; E416-A488 HydrophobicContact CG-CB 3.96Å |
| 417 | K | 89.3 | Confident | 82.7 | Confident | 108.5 Ų | 108.5 | 61.2 Ų | 61.2 | 47% | 0.472 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 176.6 | -175.5 | 176.1 | 179.1 | 176.1 | 0 | 111.2 | N414 K415 K420 D421 | N414-K417 HydrophobicContact CB-CB 4.16Å; N414-K417 WeakPolarHBondContact O-CB 3.48Å; N414-K417 PolarHBondContact O-N 3.04Å; N414-K417 WeakPolarHBondContact OD1-CB 3.32Å; N414-K417 PolarHBondContact OD1-N 2.82Å; K415-K417 VanDerWaalsContact C-N 3.29Å; K415-K417 PolarHBondContact O-N 3.05Å; K417-K420 PolarHBondContact O-N 3.28Å; K417-D421 VanDerWaalsContact O-CB 3.27Å; K417-D421 WeakPolarHBondContact O-CB 3.44Å; K417-D421 VanDerWaalsContact O-CG 3.25Å; K417-D421 PolarHBondContact O-N 3.11Å |
| 418 | L | 91 | Very high | 83.5 | Confident | 3.5 Ų | 3.5 | 59.4 Ų | 59.4 | 2% | 0.018 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 175.1 | -74.6 | -172.9 | 0 | 0 | 0 | 112.7 | L373 R374 E413 N414 K415 E416 D421 A422 | L373-L418 HydrophobicContact CB-CB 4.07Å; L373-L418 HydrophobicContact CB-CD1 4.19Å; L373-L418 HydrophobicContact CD1-CB 4.07Å; L373-L418 HydrophobicContact CD1-CD1 4.42Å; R374-L418 HydrophobicContact CG-CD1 4.45Å; R374-L418 HydrophobicContact CG-CD2 4.36Å; E413-L418 VanDerWaalsContact CD-CD1 3.4Å; E413-L418 HydrophobicContact CG-CD1 3.89Å; E413-L418 HydrophobicContact CG-CG 4.38Å; E413-L418 WeakPolarHBondContact OE1-CD1 3.13Å; N414-L418 PolarHBondContact O-N 2.99Å; N414-L418 VanDerWaalsContact O-N 3.17Å; K415-L418 WeakPolarHBondContact O-CB 3.35Å; K415-L418 PolarHBondContact O-N 3.21Å; K415-L418 VanDerWaalsContact O-N 3.16Å; E416-L418 VanDerWaalsContact C-N 3.32Å; E416-L418 PolarHBondContact O-N 3.33Å; L418-D421 PolarHBondContact O-N 3.35Å; L418-A422 WeakPolarHBondContact O-CB 3.47Å; L418-A422 PolarHBondContact O-N 3.2Å |
| 419 | I | 91.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 177.3 | -67.7 | 163.8 | 0 | 0 | 0 | 110.4 | L373 L401 A404 K415 E416 A422 L423 L483 A488 | L373-I419 HydrophobicContact CD1-CG1 3.96Å; L373-I419 HydrophobicContact CD2-CG1 4.14Å; L401-I419 HydrophobicContact CD1-CD1 4.29Å; L401-I419 HydrophobicContact CD1-CG1 4.28Å; L401-I419 HydrophobicContact CD2-CD1 4.37Å; L401-I419 HydrophobicContact CD2-CG1 4.25Å; A404-I419 HydrophobicContact CB-CD1 3.88Å; K415-I419 VanDerWaalsContact O-CG1 3.32Å; K415-I419 WeakPolarHBondContact O-CG1 3.47Å; K415-I419 PolarHBondContact O-N 3.32Å; E416-I419 PolarHBondContact O-N 3.26Å; I419-A422 PolarHBondContact O-N 2.9Å; I419-L423 HydrophobicContact CG2-CD1 4.37Å; I419-L423 VanDerWaalsContact O-CB 3.27Å; I419-L423 WeakPolarHBondContact O-CB 3.32Å; I419-L423 WeakPolarHBondContact O-CG 3.41Å; I419-L423 PolarHBondContact O-N 2.69Å; I419-L483 HydrophobicContact CG2-CD2 4.21Å; I419-A488 HydrophobicContact CB-CB 4.2Å; I419-A488 HydrophobicContact CD1-CB 3.92Å; I419-A488 HydrophobicContact CG2-CB 4.06Å |
| 420 | K | 91.5 | Very high | 84.6 | Confident | 35.5 Ų | 35.5 | 52.9 Ų | 52.9 | 15% | 0.154 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 177.1 | -76.5 | 169.2 | 177.2 | 170.2 | 0 | 111.9 | E416 K417 A422 L423 I424 A492 L496 | E416-K420 HydrophobicContact CB-CD 4.43Å; E416-K420 WeakPolarHBondContact O-CB 3.4Å; E416-K420 WeakPolarHBondContact O-CD 3.36Å; E416-K420 VanDerWaalsContact O-CG 3.23Å; E416-K420 WeakPolarHBondContact O-CG 3.42Å; E416-K420 PolarHBondContact O-N 2.92Å; E416-K420 IonicContact OE2-NZ 3.77Å; E416-K420 PolarHBondContact OE2-NZ 2.74Å; K417-K420 PolarHBondContact O-N 3.28Å; K420-A422 VanDerWaalsContact C-N 3.35Å; K420-A422 PolarHBondContact O-N 3.38Å; K420-L423 PolarHBondContact O-N 2.89Å; K420-I424 WeakPolarHBondContact O-CG1 3.4Å; K420-I424 PolarHBondContact O-N 3.17Å; K420-I424 VanDerWaalsContact O-N 3.09Å; K420-A492 HydrophobicContact CG-CB 3.99Å; K420-L496 HydrophobicContact CB-CD1 3.86Å; K420-L496 HydrophobicContact CD-CD1 4.4Å; K420-L496 HydrophobicContact CD-CD2 4.45Å; K420-L496 HydrophobicContact CG-CD1 3.9Å |
| 421 | D | 92.6 | Very high | 84.5 | Confident | 40.5 Ų | 40.5 | 47.4 Ų | 47.4 | 22% | 0.217 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.3 | -40 | 176.5 | -71 | -6.4 | 0 | 0 | 0 | 111.2 | R377 K417 L418 I424 S425 | R377-D421 HydrophobicContact CB-CB 4.25Å; R377-D421 WeakPolarHBondContact CD-OD2 3.36Å; R377-D421 HydrophobicContact CG-CB 3.98Å; R377-D421 IonicContact CZ-OD2 3.5Å; R377-D421 IonicContact NE-OD2 3.22Å; R377-D421 PolarHBondContact NE-OD2 3.27Å; K417-D421 VanDerWaalsContact O-CB 3.27Å; K417-D421 WeakPolarHBondContact O-CB 3.44Å; K417-D421 VanDerWaalsContact O-CG 3.25Å; K417-D421 PolarHBondContact O-N 3.11Å; L418-D421 PolarHBondContact O-N 3.35Å; D421-I424 PolarHBondContact O-N 3.19Å; D421-S425 PolarHBondContact O-N 3.04Å; D421-S425 PolarHBondContact O-OG 3.16Å |
| 422 | A | 93.8 | Very high | 84 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -40.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | L373 L376 L418 I419 K420 S425 I426 L483 | L373-A422 HydrophobicContact CD2-CB 3.95Å; L376-A422 HydrophobicContact CB-CB 3.77Å; L376-A422 HydrophobicContact CD1-CB 3.88Å; L376-A422 HydrophobicContact CG-CB 4.49Å; L418-A422 WeakPolarHBondContact O-CB 3.47Å; L418-A422 PolarHBondContact O-N 3.2Å; I419-A422 PolarHBondContact O-N 2.9Å; K420-A422 VanDerWaalsContact C-N 3.35Å; K420-A422 PolarHBondContact O-N 3.38Å; A422-S425 PolarHBondContact O-N 2.93Å; A422-I426 WeakPolarHBondContact O-CG1 3.34Å; A422-I426 PolarHBondContact O-N 2.99Å; A422-L483 HydrophobicContact CB-CD1 4.29Å; A422-L483 HydrophobicContact CB-CD2 4.28Å |
| 423 | L | 92.8 | Very high | 83.3 | Confident | 5.5 Ų | 5.5 | 49.4 Ų | 49.4 | 3% | 0.029 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.3 | -46.2 | 173.6 | -129.6 | 119.3 | 0 | 0 | 0 | 111.1 | I419 K420 S425 I426 L427 L480 L483 V484 A492 I499 | I419-L423 HydrophobicContact CG2-CD1 4.37Å; I419-L423 VanDerWaalsContact O-CB 3.27Å; I419-L423 WeakPolarHBondContact O-CB 3.32Å; I419-L423 WeakPolarHBondContact O-CG 3.41Å; I419-L423 PolarHBondContact O-N 2.69Å; K420-L423 PolarHBondContact O-N 2.89Å; L423-S425 VanDerWaalsContact C-N 3.32Å; L423-S425 PolarHBondContact O-N 2.86Å; L423-I426 PolarHBondContact O-N 3.02Å; L423-L427 HydrophobicContact CD1-CD1 4.25Å; L423-L427 HydrophobicContact CG-CD1 4.02Å; L423-L427 WeakPolarHBondContact O-CB 3.2Å; L423-L427 VanDerWaalsContact O-CG 3.22Å; L423-L427 WeakPolarHBondContact O-CG 3.42Å; L423-L427 PolarHBondContact O-N 3.08Å; L423-L427 VanDerWaalsContact O-N 3.11Å; L423-L480 HydrophobicContact CD1-CD2 3.72Å; L423-L480 HydrophobicContact CD2-CD2 4.05Å; L423-L483 HydrophobicContact CB-CD1 4.24Å; L423-L483 HydrophobicContact CD1-CB 4.38Å; L423-L483 HydrophobicContact CD1-CD1 4.33Å; L423-L483 HydrophobicContact CD2-CB 3.51Å; L423-L483 HydrophobicContact CD2-CD1 3.75Å; L423-L483 HydrophobicContact CD2-CG 4.26Å; L423-L483 HydrophobicContact CG-CB 3.88Å; L423-L483 HydrophobicContact CG-CD1 3.95Å; L423-L483 HydrophobicContact CG-CG 4.44Å; L423-V484 HydrophobicContact CD2-CG1 4.08Å; L423-A492 HydrophobicContact CD1-CB 3.82Å; L423-A492 HydrophobicContact CD2-CB 3.73Å; L423-I499 HydrophobicContact CD2-CD1 3.79Å; L423-I499 HydrophobicContact CG-CD1 4.11Å |
| 424 | I | 92 | Very high | 82.4 | Confident | 68 Ų | 68 | 49 Ų | 49 | 35% | 0.349 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.7 | -50.6 | 174.5 | -67.3 | 165.5 | 0 | 0 | 0 | 109.7 | K420 D421 I426 L427 T428 L496 I499 | K420-I424 WeakPolarHBondContact O-CG1 3.4Å; K420-I424 PolarHBondContact O-N 3.17Å; K420-I424 VanDerWaalsContact O-N 3.09Å; D421-I424 PolarHBondContact O-N 3.19Å; I424-I426 VanDerWaalsContact C-N 3.31Å; I424-I426 PolarHBondContact O-N 3.3Å; I424-L427 PolarHBondContact O-N 3.15Å; I424-L427 VanDerWaalsContact O-N 3.16Å; I424-T428 HydrophobicContact CG2-CG2 3.98Å; I424-T428 WeakPolarHBondContact O-CG2 3.38Å; I424-T428 PolarHBondContact O-N 3.03Å; I424-T428 PolarHBondContact O-OG1 3.13Å; I424-L496 HydrophobicContact CD1-CD1 4.19Å; I424-L496 HydrophobicContact CG1-CD1 4.36Å; I424-I499 HydrophobicContact CG1-CD1 4.05Å |
| 425 | S | 91.4 | Very high | 80.8 | Confident | 26.5 Ų | 26.5 | 47.9 Ų | 47.9 | 19% | 0.185 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.1 | -42 | -179.3 | -120.6 | 0 | 0 | 0 | 0 | 113.3 | L376 D421 A422 L423 T428 Q429 | L376-S425 VanDerWaalsContact O-CB 3.31Å; L376-S425 WeakPolarHBondContact O-CB 3.46Å; L376-S425 PolarHBondContact O-OG 3.44Å; L376-S425 VanDerWaalsContact O-OG 3.06Å; D421-S425 PolarHBondContact O-N 3.04Å; D421-S425 PolarHBondContact O-OG 3.16Å; A422-S425 PolarHBondContact O-N 2.93Å; L423-S425 VanDerWaalsContact C-N 3.32Å; L423-S425 PolarHBondContact O-N 2.86Å; S425-T428 PolarHBondContact O-OG1 2.79Å; S425-Q429 PolarHBondContact O-N 3.18Å |
| 426 | I | 91.7 | Very high | 79.1 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.7 | -34.3 | 179.3 | -65.9 | 173.7 | 0 | 0 | 0 | 112.1 | L376 F385 A422 L423 I424 Q476 A479 L480 L483 | L376-I426 HydrophobicContact CD1-CD1 4.1Å; L376-I426 HydrophobicContact CD2-CD1 4Å; L376-I426 HydrophobicContact CD2-CG1 3.94Å; F385-I426 HydrophobicContact CZ-CG1 4.16Å; A422-I426 WeakPolarHBondContact O-CG1 3.34Å; A422-I426 PolarHBondContact O-N 2.99Å; L423-I426 PolarHBondContact O-N 3.02Å; I424-I426 VanDerWaalsContact C-N 3.31Å; I424-I426 PolarHBondContact O-N 3.3Å; I426-Q476 HydrophobicContact CG2-CG 3.64Å; I426-Q476 PolarHBondContact O-NE2 3.12Å; I426-A479 HydrophobicContact CD1-CB 3.77Å; I426-L480 HydrophobicContact CB-CD2 4.15Å; I426-L480 HydrophobicContact CG2-CD1 4.41Å; I426-L480 HydrophobicContact CG2-CD2 3.63Å; I426-L480 HydrophobicContact CG2-CG 3.76Å; I426-L483 HydrophobicContact CD1-CD1 3.64Å |
| 427 | L | 89.4 | Confident | 77 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -76.6 | -34.1 | 179 | -68.5 | 172.3 | 0 | 0 | 0 | 113 | L423 I424 L480 I499 T502 L503 L506 | L423-L427 HydrophobicContact CD1-CD1 4.25Å; L423-L427 HydrophobicContact CG-CD1 4.02Å; L423-L427 WeakPolarHBondContact O-CB 3.2Å; L423-L427 VanDerWaalsContact O-CG 3.22Å; L423-L427 WeakPolarHBondContact O-CG 3.42Å; L423-L427 PolarHBondContact O-N 3.08Å; L423-L427 VanDerWaalsContact O-N 3.11Å; I424-L427 PolarHBondContact O-N 3.15Å; I424-L427 VanDerWaalsContact O-N 3.16Å; L427-L480 HydrophobicContact CD2-CD1 4.11Å; L427-L480 HydrophobicContact CD2-CD2 3.76Å; L427-L480 HydrophobicContact CG-CD2 4.01Å; L427-I499 HydrophobicContact CD1-CB 4.23Å; L427-I499 HydrophobicContact CD1-CD1 4.1Å; L427-I499 HydrophobicContact CD1-CG1 4.03Å; L427-I499 HydrophobicContact CD1-CG2 3.68Å; L427-T502 HydrophobicContact CB-CG2 3.99Å; L427-T502 WeakPolarHBondContact O-CG2 3.32Å; L427-L503 HydrophobicContact CD2-CB 3.87Å; L427-L503 HydrophobicContact CD2-CD1 3.87Å; L427-L503 HydrophobicContact CD2-CG 4.41Å; L427-L506 HydrophobicContact CD2-CD1 3.81Å |
| 428 | T | 84.7 | Confident | 74.8 | Confident | 97 Ų | 97 | 50.4 Ų | 50.4 | 60% | 0.595 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -87.2 | -10.3 | -175.5 | 56.7 | 0 | 0 | 0 | 0 | 114.5 | I424 S425 D430 | I424-T428 HydrophobicContact CG2-CG2 3.98Å; I424-T428 WeakPolarHBondContact O-CG2 3.38Å; I424-T428 PolarHBondContact O-N 3.03Å; I424-T428 PolarHBondContact O-OG1 3.13Å; S425-T428 PolarHBondContact O-OG1 2.79Å; T428-D430 PolarHBondContact O-N 2.93Å |
| 429 | Q | 80.2 | Confident | 72.3 | Confident | 38.5 Ų | 38.5 | 56.7 Ų | 56.7 | 18% | 0.18 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -72 | 125.4 | 179.3 | -179.1 | 67.6 | 40.2 | 0 | 0 | 110.9 | F385 S425 T431 | F385-Q429 HydrophobicContact CD1-CB 4.21Å; F385-Q429 HydrophobicContact CD1-CG 3.52Å; F385-Q429 HydrophobicContact CD2-CG 4.4Å; F385-Q429 HydrophobicContact CE1-CB 3.83Å; F385-Q429 HydrophobicContact CE1-CG 3.64Å; F385-Q429 HydrophobicContact CE2-CB 4.39Å; F385-Q429 HydrophobicContact CG-CG 3.92Å; F385-Q429 HydrophobicContact CZ-CB 3.94Å; F385-Q429 HydrophobicContact CZ-CG 4.17Å; S425-Q429 PolarHBondContact O-N 3.18Å; Q429-T431 PolarHBondContact O-N 2.95Å |
| 430 | D | 67.9 | Low | 70 | Confident | 54 Ų | 54 | 60.6 Ų | 60.6 | 29% | 0.289 | 33% | 0.33 | S | S | . | . | trans | -71.6 | 120.1 | 171.9 | -165.6 | -26.6 | 0 | 0 | 0 | 109.8 | T428 R432 I433 | T428-D430 PolarHBondContact O-N 2.93Å; D430-R432 VanDerWaalsContact C-N 3.29Å; D430-R432 PolarHBondContact O-N 3.21Å; D430-R432 WeakPolarHBondContact OD1-CB 3.34Å; D430-R432 WeakPolarHBondContact OD1-CG 3.31Å; D430-R432 IonicContact OD1-CZ 3.07Å; D430-R432 PolarHBondContact OD1-N 3.24Å; D430-R432 IonicContact OD1-NE 3.57Å; D430-R432 PolarHBondContact OD1-NE 3.08Å; D430-R432 IonicContact OD1-NH2 3.35Å; D430-R432 IonicContact OD2-CZ 3.21Å; D430-R432 IonicContact OD2-NE 3.14Å; D430-R432 PolarHBondContact OD2-NE 3.02Å; D430-R432 IonicContact OD2-NH2 2.86Å; D430-R432 PolarHBondContact OD2-NH2 3.27Å; D430-I433 HydrophobicContact CB-CD1 4.09Å; D430-I433 HydrophobicContact CB-CG1 4.14Å; D430-I433 PolarHBondContact O-N 2.91Å | ||
| 431 | T | 63.5 | Low | 67.6 | Low | 25 Ų | 25 | 59.6 Ų | 59.6 | 15% | 0.153 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -23.7 | -178.2 | 59.4 | 0 | 0 | 0 | 0 | 112.9 | W386 Q429 I433 I473 Q476 | W386-T431 HydrophobicContact CH2-CG2 4.03Å; W386-T431 HydrophobicContact CZ2-CG2 4.04Å; Q429-T431 PolarHBondContact O-N 2.95Å; T431-I433 VanDerWaalsContact C-N 3.29Å; T431-I433 PolarHBondContact O-N 3.19Å; T431-I473 HydrophobicContact CG2-CG1 4.44Å; T431-Q476 VanDerWaalsContact CG2-OE1 3.31Å |
| 432 | R | 59.5 | Low | 65.2 | Low | 190.5 Ų | 190.5 | 60.8 Ų | 60.8 | 72% | 0.719 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -21.5 | -178.5 | -59.8 | 170.5 | -66.8 | 179.5 | 3.4 | 112.3 | D430 I434 | D430-R432 VanDerWaalsContact C-N 3.29Å; D430-R432 PolarHBondContact O-N 3.21Å; D430-R432 WeakPolarHBondContact OD1-CB 3.34Å; D430-R432 WeakPolarHBondContact OD1-CG 3.31Å; D430-R432 IonicContact OD1-CZ 3.07Å; D430-R432 PolarHBondContact OD1-N 3.24Å; D430-R432 IonicContact OD1-NE 3.57Å; D430-R432 PolarHBondContact OD1-NE 3.08Å; D430-R432 IonicContact OD1-NH2 3.35Å; D430-R432 IonicContact OD2-CZ 3.21Å; D430-R432 IonicContact OD2-NE 3.14Å; D430-R432 PolarHBondContact OD2-NE 3.02Å; D430-R432 IonicContact OD2-NH2 2.86Å; D430-R432 PolarHBondContact OD2-NH2 3.27Å; R432-I434 PolarHBondContact O-N 3.09Å |
| 433 | I | 55.8 | Low | 62.3 | Low | 97.5 Ų | 97.5 | 69.3 Ų | 69.3 | 50% | 0.5 | 37% | 0.366 | S | S | . | . | trans | -83.6 | 73.7 | 172.8 | -50.5 | 177.7 | 0 | 0 | 0 | 107.6 | D430 T431 D435 | D430-I433 HydrophobicContact CB-CD1 4.09Å; D430-I433 HydrophobicContact CB-CG1 4.14Å; D430-I433 PolarHBondContact O-N 2.91Å; T431-I433 VanDerWaalsContact C-N 3.29Å; T431-I433 PolarHBondContact O-N 3.19Å; I433-D435 PolarHBondContact O-N 3.42Å; I433-D435 VanDerWaalsContact O-N 3.14Å | ||
| 434 | I | 54.6 | Low | 59.7 | Low | 45.5 Ų | 45.5 | 74.3 Ų | 74.3 | 23% | 0.233 | 38% | 0.384 | C | S | . | . | trans | -73.3 | 108 | 162.3 | -56.8 | 177.1 | 0 | 0 | 0 | 105.3 | R432 A436 P438 Y468 E469 L472 | R432-I434 PolarHBondContact O-N 3.09Å; I434-A436 PolarHBondContact O-N 2.91Å; I434-A436 VanDerWaalsContact O-N 3.16Å; I434-P438 HydrophobicContact CG2-CB 4.29Å; I434-Y468 HydrophobicContact CD1-CD1 4.45Å; I434-Y468 HydrophobicContact CG2-CD1 4.46Å; I434-Y468 HydrophobicContact CG2-CE1 4.05Å; I434-E469 HydrophobicContact CD1-CB 4.29Å; I434-E469 HydrophobicContact CD1-CG 4.39Å; I434-L472 HydrophobicContact CD1-CD1 4.23Å; I434-L472 HydrophobicContact CG1-CD1 4.28Å | ||
| 435 | D | 51.6 | Low | 57.1 | Low | 63 Ų | 63 | 73.7 Ų | 73.7 | 34% | 0.337 | 39% | 0.386 | S | S | . | . | trans | -45.8 | 129.3 | 172.8 | -71.6 | -39.4 | 0 | 0 | 0 | 108.5 | R379 I433 N437 | R379-D435 IonicContact NH1-OD2 3.18Å; I433-D435 PolarHBondContact O-N 3.42Å; I433-D435 VanDerWaalsContact O-N 3.14Å; D435-N437 PolarHBondContact O-N 2.89Å | ||
| 436 | A | 48.1 | Very low | 54.3 | Low | 103.5 Ų | 103.5 | 75.8 Ų | 75.8 | 86% | 0.855 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -64.4 | 14.7 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | I434 P438 | I434-A436 PolarHBondContact O-N 2.91Å; I434-A436 VanDerWaalsContact O-N 3.16Å; A436-P438 VanDerWaalsContact O-CD 3.28Å; A436-P438 WeakPolarHBondContact O-CD 3.31Å |
| 437 | N | 44 | Very low | 51.4 | Low | 116 Ų | 116 | 79.9 Ų | 79.9 | 62% | 0.62 | 43% | 0.429 | S | S | * | . | trans | -114.1 | 62 | 173.1 | -110.8 | -21.6 | 0 | 0 | 0 | 111.8 | D435 L439 T440 | D435-N437 PolarHBondContact O-N 2.89Å; N437-L439 PolarHBondContact O-N 3.21Å; N437-T440 PolarHBondContact O-OG1 3.19Å | ||
| 438 | P | 43.5 | Very low | 48.7 | Very low | 42 Ų | 42 | 83.4 Ų | 83.4 | 27% | 0.273 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.6 | -15.5 | 176.4 | 27.8 | -34.7 | 0 | 0 | 0 | 113.3 | I434 A436 T440 S441 I442 Y468 | I434-P438 HydrophobicContact CG2-CB 4.29Å; A436-P438 VanDerWaalsContact O-CD 3.28Å; A436-P438 WeakPolarHBondContact O-CD 3.31Å; P438-T440 PolarHBondContact O-N 2.76Å; P438-S441 PolarHBondContact O-OG 3.24Å; P438-I442 WeakPolarHBondContact O-CD1 3.39Å; P438-I442 VanDerWaalsContact O-CG1 3.3Å; P438-I442 WeakPolarHBondContact O-CG1 3.41Å; P438-I442 PolarHBondContact O-N 3.03Å; P438-Y468 HydrophobicContact CB-CD1 4.32Å; P438-Y468 HydrophobicContact CB-CE1 4.11Å |
| 439 | L | 38.1 | Very low | 46.2 | Very low | 134.5 Ų | 134.5 | 82 Ų | 82 | 70% | 0.704 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -77.9 | -22.1 | -172.1 | -70.4 | 170.1 | 0 | 0 | 0 | 114.6 | N437 I442 R443 | N437-L439 PolarHBondContact O-N 3.21Å; L439-I442 HydrophobicContact CD2-CD1 4.39Å; L439-R443 PolarHBondContact O-N 3.19Å |
| 440 | T | 42.7 | Very low | 43.7 | Very low | 83 Ų | 83 | 85.9 Ų | 85.9 | 51% | 0.509 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -79.1 | -32.4 | 179.7 | 48.8 | 0 | 0 | 0 | 0 | 112.7 | N437 P438 | N437-T440 PolarHBondContact O-OG1 3.19Å; P438-T440 PolarHBondContact O-N 2.76Å |
| 441 | S | 42.6 | Very low | 41.7 | Very low | 15 Ų | 15 | 90.1 Ų | 90.1 | 11% | 0.105 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -75.3 | -29.7 | 177.7 | 41.6 | 0 | 0 | 0 | 0 | 113.1 | P438 R443 R444 Y468 | P438-S441 PolarHBondContact O-OG 3.24Å; S441-R443 PolarHBondContact O-N 3.44Å; S441-R444 PolarHBondContact O-N 3.28Å; S441-Y468 WeakPolarHBondContact CB-OH 3.49Å; S441-Y468 PolarHBondContact OG-OH 2.94Å; S441-Y468 VanDerWaalsContact OG-OH 3.11Å |
| 442 | I | 41.1 | Very low | 39.8 | Very low | 65.5 Ų | 65.5 | 94.6 Ų | 94.6 | 34% | 0.336 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -84.5 | -30.8 | 179.8 | -74.8 | 173.4 | 0 | 0 | 0 | 113.6 | P438 L439 R444 S445 S446 Y468 | P438-I442 WeakPolarHBondContact O-CD1 3.39Å; P438-I442 VanDerWaalsContact O-CG1 3.3Å; P438-I442 WeakPolarHBondContact O-CG1 3.41Å; P438-I442 PolarHBondContact O-N 3.03Å; L439-I442 HydrophobicContact CD2-CD1 4.39Å; I442-R444 PolarHBondContact O-N 3.33Å; I442-R444 VanDerWaalsContact O-N 3.1Å; I442-S445 PolarHBondContact O-N 2.9Å; I442-S445 PolarHBondContact O-OG 2.92Å; I442-S445 VanDerWaalsContact O-OG 3.13Å; I442-S446 PolarHBondContact O-N 3.28Å; I442-Y468 HydrophobicContact CD1-CD2 3.55Å; I442-Y468 HydrophobicContact CD1-CE2 3.54Å; I442-Y468 HydrophobicContact CG1-CD2 4.33Å; I442-Y468 HydrophobicContact CG1-CE2 4.24Å |
| 443 | R | 33.2 | Very low | 38.3 | Very low | 177 Ų | 177 | 90.5 Ų | 90.5 | 67% | 0.668 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.1 | -9.8 | -172.6 | -155.4 | 176.8 | -134 | -146.8 | 2.1 | 114.3 | R14 L439 S441 | R14-R443 HydrophobicContact CG-CG 4.29Å; R14-R443 VanDerWaalsContact NE-CG 3.29Å; R14-R443 PolarHBondContact NH1-O 2.86Å; L439-R443 PolarHBondContact O-N 3.19Å; S441-R443 PolarHBondContact O-N 3.44Å |
| 444 | R | 38.6 | Very low | 36.9 | Very low | 111.5 Ų | 111.5 | 92.4 Ų | 92.4 | 42% | 0.421 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -94 | -36.4 | 176 | -61.2 | -173.5 | -172.6 | 147.5 | -1.4 | 113.4 | E15 E387 S441 I442 S447 | E15-R444 IonicContact OE2-NH2 2.67Å; E387-R444 IonicContact OE1-CZ 2.9Å; E387-R444 IonicContact OE1-NH1 3.8Å; E387-R444 PolarHBondContact OE1-NH1 3.06Å; E387-R444 IonicContact OE2-NH1 2.71Å; E387-R444 PolarHBondContact OE2-NH1 3.17Å; S441-R444 PolarHBondContact O-N 3.28Å; I442-R444 PolarHBondContact O-N 3.33Å; I442-R444 VanDerWaalsContact O-N 3.1Å; R444-S447 PolarHBondContact O-OG 3.1Å |
| 445 | S | 36.2 | Very low | 35.7 | Very low | 55.5 Ų | 55.5 | 96.4 Ų | 96.4 | 39% | 0.388 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -86.4 | -30.2 | -174.3 | 62.8 | 0 | 0 | 0 | 0 | 114.7 | I442 S447 | I442-S445 PolarHBondContact O-N 2.9Å; I442-S445 PolarHBondContact O-OG 2.92Å; I442-S445 VanDerWaalsContact O-OG 3.13Å; S445-S447 PolarHBondContact O-N 3.34Å; S445-S447 VanDerWaalsContact O-N 3.13Å |
| 446 | S | 32.2 | Very low | 34.7 | Very low | 70.5 Ų | 70.5 | 97.8 Ų | 97.8 | 49% | 0.493 | 57% | 0.568 | S | S | . | * | G | 310 helix | trans | -82.7 | 0.3 | -172.6 | -48.4 | 0 | 0 | 0 | 0 | 115.3 | I442 S448 S449 | I442-S446 PolarHBondContact O-N 3.28Å; S446-S448 PolarHBondContact O-N 2.68Å; S446-S449 PolarHBondContact O-N 3.16Å; S446-S449 PolarHBondContact O-OG 2.83Å; S446-S449 VanDerWaalsContact O-OG 3.07Å |
| 447 | S | 32.1 | Very low | 33.9 | Very low | 85.5 Ų | 85.5 | 100 Ų | 100 | 60% | 0.598 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -3.2 | -176.8 | 6.1 | 0 | 0 | 0 | 0 | 115.2 | R14 R444 S445 S449 | R14-S447 PolarHBondContact NH1-OG 3.36Å; R444-S447 PolarHBondContact O-OG 3.1Å; S445-S447 PolarHBondContact O-N 3.34Å; S445-S447 VanDerWaalsContact O-N 3.13Å; S447-S449 CarbonylContact O-C 3.53Å; S447-S449 PolarHBondContact O-N 2.88Å |
| 448 | S | 33.4 | Very low | 33.7 | Very low | 80.5 Ų | 80.5 | 100.5 Ų | 100.5 | 56% | 0.563 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -92.8 | -1.7 | 171.8 | 56.6 | 0 | 0 | 0 | 0 | 113.6 | S446 L450 | S446-S448 PolarHBondContact O-N 2.68Å; S448-L450 VanDerWaalsContact C-N 3.28Å; S448-L450 PolarHBondContact O-N 3.38Å; S448-L450 VanDerWaalsContact O-N 3.13Å |
| 449 | S | 31 | Very low | 33.3 | Very low | 69 Ų | 69 | 103.8 Ų | 103.8 | 48% | 0.483 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -76.7 | 89.3 | 162.4 | 123.8 | 0 | 0 | 0 | 0 | 110 | S446 S447 H451 | S446-S449 PolarHBondContact O-N 3.16Å; S446-S449 PolarHBondContact O-OG 2.83Å; S446-S449 VanDerWaalsContact O-OG 3.07Å; S447-S449 CarbonylContact O-C 3.53Å; S447-S449 PolarHBondContact O-N 2.88Å; S449-H451 PolarHBondContact O-N 3.3Å |
| 450 | L | 27.9 | Very low | 33.7 | Very low | 119 Ų | 119 | 99.6 Ų | 99.6 | 62% | 0.623 | 57% | 0.573 | S | S | * | * | trans | -55.8 | 126.6 | 156.2 | -93.5 | 75.8 | 0 | 0 | 0 | 107.8 | S448 C452 | S448-L450 VanDerWaalsContact C-N 3.28Å; S448-L450 PolarHBondContact O-N 3.38Å; S448-L450 VanDerWaalsContact O-N 3.13Å; L450-C452 PolarHBondContact O-N 2.61Å | ||
| 451 | H | 26.1 | Very low | 34 | Very low | 143 Ų | 143 | 100.6 Ų | 100.6 | 66% | 0.662 | 58% | 0.579 | S | S | * | * | trans | 67.1 | 75.7 | 174.4 | -61.7 | -21 | 0 | 0 | 0 | 115.8 | S449 | S449-H451 PolarHBondContact O-N 3.3Š| ||
| 452 | C | 24.4 | Very low | 34.3 | Very low | 120 Ų | 120 | 104.6 Ų | 104.6 | 81% | 0.811 | 60% | 0.603 | S | S | * | * | trans | -101.5 | 115.5 | 137 | -158.2 | 0 | 0 | 0 | 0 | 106.3 | L450 | L450-C452 PolarHBondContact O-N 2.61Š| ||
| 453 | T | 26.2 | Very low | 34.9 | Very low | 103.5 Ų | 103.5 | 106.5 Ų | 106.5 | 64% | 0.635 | 61% | 0.614 | S | S | * | * | trans | -68.5 | 146.5 | 173.4 | 47.1 | 0 | 0 | 0 | 0 | 109.7 | D455 | T453-D455 VanDerWaalsContact C-N 3.29Å; T453-D455 PolarHBondContact O-N 3.32Å; T453-D455 PolarHBondContact OG1-OD2 3.17Å | ||
| 454 | T | 28.1 | Very low | 36 | Very low | 138 Ų | 138 | 102.3 Ų | 102.3 | 85% | 0.847 | 61% | 0.605 | S | S | * | * | trans | -77 | 48.2 | -169.1 | -35.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 455 | D | 29.6 | Very low | 37.4 | Very low | 128 Ų | 128 | 101.4 Ų | 101.4 | 68% | 0.684 | 61% | 0.608 | S | S | * | * | trans | -115.8 | 131.1 | -173.5 | -65.5 | -50.3 | 0 | 0 | 0 | 112 | T453 | T453-D455 VanDerWaalsContact C-N 3.29Å; T453-D455 PolarHBondContact O-N 3.32Å; T453-D455 PolarHBondContact OG1-OD2 3.17Å | ||
| 456 | S | 30 | Very low | 39.5 | Very low | 93.5 Ų | 93.5 | 102.3 Ų | 102.3 | 65% | 0.654 | 61% | 0.611 | S | S | * | * | trans | 72.7 | 78.4 | 172.4 | 126.4 | 0 | 0 | 0 | 0 | 117.7 | T458 | S456-T458 PolarHBondContact O-N 2.86Š| ||
| 457 | I | 31.7 | Very low | 41.9 | Very low | 148.5 Ų | 148.5 | 100.6 Ų | 100.6 | 76% | 0.762 | 60% | 0.597 | S | S | * | * | trans | -86.5 | 52.3 | 169.9 | -67 | 173 | 0 | 0 | 0 | 111.6 | ||||
| 458 | T | 38.7 | Very low | 44.3 | Very low | 127 Ų | 127 | 97.7 Ų | 97.7 | 78% | 0.779 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -135.5 | -17.5 | 176.7 | 27.1 | 0 | 0 | 0 | 0 | 116.4 | S456 | S456-T458 PolarHBondContact O-N 2.86Š|
| 459 | T | 35.7 | Very low | 46.8 | Very low | 112.5 Ų | 112.5 | 96.8 Ų | 96.8 | 69% | 0.69 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -122.7 | -1.5 | -176.3 | 51.3 | 0 | 0 | 0 | 0 | 115.5 | ||
| 460 | S | 46.1 | Very low | 49.7 | Very low | 46 Ų | 46 | 94.5 Ų | 94.5 | 32% | 0.322 | 54% | 0.542 | S | S | . | . | trans | -89.2 | -13.6 | -167.6 | 53.9 | 0 | 0 | 0 | 0 | 115.9 | T462 N463 N464 | S460-T462 PolarHBondContact O-N 3.14Å; S460-N463 PolarHBondContact O-N 3.36Å; S460-N464 VanDerWaalsContact O-CB 3.29Å; S460-N464 WeakPolarHBondContact O-CB 3.39Å; S460-N464 PolarHBondContact O-N 2.84Å; S460-N464 VanDerWaalsContact O-N 3.1Å; S460-N464 PolarHBondContact O-ND2 3.07Å | ||
| 461 | T | 48.1 | Very low | 52.6 | Low | 104 Ų | 104 | 90.5 Ų | 90.5 | 64% | 0.638 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.6 | -39 | -169.9 | -42.5 | 0 | 0 | 0 | 0 | 113.7 | N465 | T461-N465 PolarHBondContact O-N 3.21Å |
| 462 | T | 49.9 | Very low | 55.7 | Low | 99 Ų | 99 | 83.8 Ų | 83.8 | 61% | 0.607 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -69.2 | -50 | -179.9 | 48.7 | 0 | 0 | 0 | 0 | 111.6 | S460 N464 N465 T466 | S460-T462 PolarHBondContact O-N 3.14Å; T462-N464 VanDerWaalsContact C-N 3.3Å; T462-N464 PolarHBondContact O-N 2.93Å; T462-N465 WeakPolarHBondContact O-CB 3.17Å; T462-N465 PolarHBondContact O-N 3.26Å; T462-N465 VanDerWaalsContact O-N 3.11Å; T462-T466 PolarHBondContact O-N 3.16Å; T462-T466 VanDerWaalsContact O-N 3.16Å; T462-T466 PolarHBondContact O-OG1 3.05Å |
| 463 | N | 53.3 | Low | 58.9 | Low | 105.5 Ų | 105.5 | 78.5 Ų | 78.5 | 56% | 0.564 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.4 | -36.1 | 179.7 | -74.3 | -8.9 | 0 | 0 | 0 | 112.6 | S460 N465 T466 N467 | S460-N463 PolarHBondContact O-N 3.36Å; N463-N465 VanDerWaalsContact C-N 3.27Å; N463-N465 PolarHBondContact O-N 2.87Å; N463-T466 PolarHBondContact O-N 2.98Å; N463-N467 PolarHBondContact O-N 2.96Å; N463-N467 VanDerWaalsContact O-N 3.12Å; N463-N467 PolarHBondContact O-ND2 2.96Å |
| 464 | N | 57.4 | Low | 62.2 | Low | 88.5 Ų | 88.5 | 73.8 Ų | 73.8 | 47% | 0.473 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 176.7 | -72.7 | -13.7 | 0 | 0 | 0 | 111.8 | S460 T462 N467 Y468 | S460-N464 VanDerWaalsContact O-CB 3.29Å; S460-N464 WeakPolarHBondContact O-CB 3.39Å; S460-N464 PolarHBondContact O-N 2.84Å; S460-N464 VanDerWaalsContact O-N 3.1Å; S460-N464 PolarHBondContact O-ND2 3.07Å; T462-N464 VanDerWaalsContact C-N 3.3Å; T462-N464 PolarHBondContact O-N 2.93Å; N464-N467 PolarHBondContact O-N 3.42Å; N464-Y468 WeakPolarHBondContact O-CB 3.42Å; N464-Y468 PolarHBondContact O-N 3.1Å; N464-Y468 VanDerWaalsContact O-N 3.15Å |
| 465 | N | 67.9 | Low | 65.3 | Low | 92 Ų | 92 | 67.8 Ų | 67.8 | 49% | 0.492 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67 | -43.7 | 177.9 | -114.2 | 13.2 | 0 | 0 | 0 | 111.8 | T461 T462 N463 N467 Y468 E469 | T461-N465 PolarHBondContact O-N 3.21Å; T462-N465 WeakPolarHBondContact O-CB 3.17Å; T462-N465 PolarHBondContact O-N 3.26Å; T462-N465 VanDerWaalsContact O-N 3.11Å; N463-N465 VanDerWaalsContact C-N 3.27Å; N463-N465 PolarHBondContact O-N 2.87Å; N465-N467 PolarHBondContact O-N 2.98Å; N465-Y468 WeakPolarHBondContact O-CB 3.39Å; N465-Y468 PolarHBondContact O-N 3.04Å; N465-E469 PolarHBondContact O-N 3.19Å |
| 466 | T | 79.5 | Confident | 68.4 | Low | 74 Ų | 74 | 61.8 Ų | 61.8 | 45% | 0.454 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 177.9 | -48.5 | 0 | 0 | 0 | 0 | 112.1 | T462 N463 Y468 E469 L470 | T462-T466 PolarHBondContact O-N 3.16Å; T462-T466 VanDerWaalsContact O-N 3.16Å; T462-T466 PolarHBondContact O-OG1 3.05Å; N463-T466 PolarHBondContact O-N 2.98Å; T466-Y468 VanDerWaalsContact C-N 3.31Å; T466-Y468 PolarHBondContact O-N 3.26Å; T466-E469 PolarHBondContact O-N 2.79Å; T466-L470 HydrophobicContact CG2-CD1 4.28Å; T466-L470 WeakPolarHBondContact O-CD1 3.32Å; T466-L470 VanDerWaalsContact O-CG 3.31Å; T466-L470 WeakPolarHBondContact O-CG 3.37Å; T466-L470 PolarHBondContact O-N 2.92Å; T466-L470 VanDerWaalsContact O-N 3.11Å |
| 467 | N | 82.8 | Confident | 71.6 | Confident | 35.5 Ų | 35.5 | 57.5 Ų | 57.5 | 19% | 0.19 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65 | -36.1 | 176.1 | -80.6 | -73.8 | 0 | 0 | 0 | 112.4 | R302 F303 N463 N464 N465 L470 I471 | R302-N467 PolarHBondContact NH1-OD1 2.63Å; F303-N467 HydrophobicContact CE1-CB 4.36Å; F303-N467 HydrophobicContact CZ-CB 4.36Å; N463-N467 PolarHBondContact O-N 2.96Å; N463-N467 VanDerWaalsContact O-N 3.12Å; N463-N467 PolarHBondContact O-ND2 2.96Å; N464-N467 PolarHBondContact O-N 3.42Å; N465-N467 PolarHBondContact O-N 2.98Å; N467-L470 PolarHBondContact O-N 3.13Å; N467-I471 WeakPolarHBondContact O-CD1 3.45Å; N467-I471 VanDerWaalsContact O-CG1 3.3Å; N467-I471 WeakPolarHBondContact O-CG1 3.4Å; N467-I471 PolarHBondContact O-N 3.26Å; N467-I471 VanDerWaalsContact O-N 3.1Å |
| 468 | Y | 81.9 | Confident | 74.7 | Confident | 25.5 Ų | 25.5 | 50.7 Ų | 50.7 | 10% | 0.1 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 175.6 | 180 | -111.7 | 0 | 0 | 0 | 111.8 | I434 P438 S441 I442 N464 N465 T466 L470 I471 L472 | I434-Y468 HydrophobicContact CD1-CD1 4.45Å; I434-Y468 HydrophobicContact CG2-CD1 4.46Å; I434-Y468 HydrophobicContact CG2-CE1 4.05Å; P438-Y468 HydrophobicContact CB-CD1 4.32Å; P438-Y468 HydrophobicContact CB-CE1 4.11Å; S441-Y468 WeakPolarHBondContact CB-OH 3.49Å; S441-Y468 PolarHBondContact OG-OH 2.94Å; S441-Y468 VanDerWaalsContact OG-OH 3.11Å; I442-Y468 HydrophobicContact CD1-CD2 3.55Å; I442-Y468 HydrophobicContact CD1-CE2 3.54Å; I442-Y468 HydrophobicContact CG1-CD2 4.33Å; I442-Y468 HydrophobicContact CG1-CE2 4.24Å; N464-Y468 WeakPolarHBondContact O-CB 3.42Å; N464-Y468 PolarHBondContact O-N 3.1Å; N464-Y468 VanDerWaalsContact O-N 3.15Å; N465-Y468 WeakPolarHBondContact O-CB 3.39Å; N465-Y468 PolarHBondContact O-N 3.04Å; T466-Y468 VanDerWaalsContact C-N 3.31Å; T466-Y468 PolarHBondContact O-N 3.26Å; Y468-L470 VanDerWaalsContact C-N 3.29Å; Y468-L470 PolarHBondContact O-N 3.02Å; Y468-I471 PolarHBondContact O-N 3.2Å; Y468-L472 HydrophobicContact CD1-CD1 4.07Å; Y468-L472 HydrophobicContact CD1-CG 4.45Å; Y468-L472 HydrophobicContact CE1-CD1 3.55Å; Y468-L472 HydrophobicContact CE1-CG 4.2Å; Y468-L472 HydrophobicContact CE2-CD1 4.46Å; Y468-L472 HydrophobicContact CE2-CD2 4.32Å; Y468-L472 HydrophobicContact CE2-CG 4.39Å; Y468-L472 WeakPolarHBondContact O-CG 3.44Å; Y468-L472 PolarHBondContact O-N 3.33Å |
| 469 | E | 86.5 | Confident | 77.4 | Confident | 61.5 Ų | 61.5 | 44.7 Ų | 44.7 | 29% | 0.287 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -56 | -44.2 | 174.1 | -175.3 | 178.7 | -177.7 | 0 | 0 | 111.6 | I434 N465 T466 I471 L472 I473 | I434-E469 HydrophobicContact CD1-CB 4.29Å; I434-E469 HydrophobicContact CD1-CG 4.39Å; N465-E469 PolarHBondContact O-N 3.19Å; T466-E469 PolarHBondContact O-N 2.79Å; E469-I471 PolarHBondContact O-N 3.34Å; E469-L472 WeakPolarHBondContact O-CB 3.37Å; E469-L472 PolarHBondContact O-N 3.33Å; E469-L472 VanDerWaalsContact O-N 3.13Å; E469-I473 HydrophobicContact CG-CD1 4.1Å; E469-I473 WeakPolarHBondContact O-CG1 3.39Å; E469-I473 PolarHBondContact O-N 3.03Å |
| 470 | L | 90.7 | Very high | 80.3 | Confident | 20 Ų | 20 | 39.5 Ų | 39.5 | 11% | 0.105 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.8 | -36.9 | 179.1 | -67.5 | 163.6 | 0 | 0 | 0 | 113 | R302 T466 N467 Y468 L472 I473 E474 L513 D515 V518 | R302-L470 VanDerWaalsContact CZ-CB 3.4Å; R302-L470 VanDerWaalsContact NH2-CD1 3.32Å; T466-L470 HydrophobicContact CG2-CD1 4.28Å; T466-L470 WeakPolarHBondContact O-CD1 3.32Å; T466-L470 VanDerWaalsContact O-CG 3.31Å; T466-L470 WeakPolarHBondContact O-CG 3.37Å; T466-L470 PolarHBondContact O-N 2.92Å; T466-L470 VanDerWaalsContact O-N 3.11Å; N467-L470 PolarHBondContact O-N 3.13Å; Y468-L470 VanDerWaalsContact C-N 3.29Å; Y468-L470 PolarHBondContact O-N 3.02Å; L470-L472 VanDerWaalsContact C-N 3.32Å; L470-L472 PolarHBondContact O-N 3.29Å; L470-I473 PolarHBondContact O-N 2.91Å; L470-E474 WeakPolarHBondContact O-CB 3.39Å; L470-E474 PolarHBondContact O-N 3.45Å; L470-L513 HydrophobicContact CD2-CB 4.12Å; L470-L513 HydrophobicContact CD2-CD1 3.62Å; L470-L513 HydrophobicContact CD2-CG 4.37Å; L470-D515 HydrophobicContact CD2-CB 4.31Å; L470-V518 HydrophobicContact CB-CG2 4.2Å; L470-V518 HydrophobicContact CD2-CG2 3.93Å; L470-V518 WeakPolarHBondContact O-CG2 3.24Å |
| 471 | I | 90.5 | Very high | 82.6 | Confident | 34.5 Ų | 34.5 | 37.8 Ų | 37.8 | 18% | 0.177 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.1 | -35.6 | 173.3 | -68.1 | 165.4 | 0 | 0 | 0 | 111.1 | N467 Y468 E469 E474 A475 | N467-I471 WeakPolarHBondContact O-CD1 3.45Å; N467-I471 VanDerWaalsContact O-CG1 3.3Å; N467-I471 WeakPolarHBondContact O-CG1 3.4Å; N467-I471 PolarHBondContact O-N 3.26Å; N467-I471 VanDerWaalsContact O-N 3.1Å; Y468-I471 PolarHBondContact O-N 3.2Å; E469-I471 PolarHBondContact O-N 3.34Å; I471-E474 PolarHBondContact O-N 3.28Å; I471-A475 WeakPolarHBondContact O-CB 3.32Å; I471-A475 PolarHBondContact O-N 2.95Å |
| 472 | L | 90.2 | Very high | 84.9 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.1 | -41.4 | 175 | -66.7 | -178.7 | 0 | 0 | 0 | 111.9 | W386 I434 Y468 E469 L470 A475 Q476 | W386-L472 HydrophobicContact CB-CD2 3.87Å; W386-L472 HydrophobicContact CD2-CB 4.08Å; W386-L472 HydrophobicContact CD2-CD1 3.93Å; W386-L472 HydrophobicContact CD2-CD2 3.99Å; W386-L472 HydrophobicContact CD2-CG 4.23Å; W386-L472 HydrophobicContact CE3-CB 3.98Å; W386-L472 HydrophobicContact CE3-CD2 4.08Å; W386-L472 HydrophobicContact CE3-CG 4.45Å; W386-L472 HydrophobicContact CG-CD1 3.84Å; W386-L472 HydrophobicContact CG-CD2 3.92Å; W386-L472 HydrophobicContact CG-CG 4.38Å; W386-L472 HydrophobicContact CH2-CB 4.19Å; W386-L472 HydrophobicContact CZ2-CB 4.28Å; W386-L472 HydrophobicContact CZ3-CB 4.04Å; W386-L472 VanDerWaalsContact CZ3-O 3.24Å; W386-L472 WeakPolarHBondContact CZ3-O 3.28Å; I434-L472 HydrophobicContact CD1-CD1 4.23Å; I434-L472 HydrophobicContact CG1-CD1 4.28Å; Y468-L472 HydrophobicContact CD1-CD1 4.07Å; Y468-L472 HydrophobicContact CD1-CG 4.45Å; Y468-L472 HydrophobicContact CE1-CD1 3.55Å; Y468-L472 HydrophobicContact CE1-CG 4.2Å; Y468-L472 HydrophobicContact CE2-CD1 4.46Å; Y468-L472 HydrophobicContact CE2-CD2 4.32Å; Y468-L472 HydrophobicContact CE2-CG 4.39Å; Y468-L472 WeakPolarHBondContact O-CG 3.44Å; Y468-L472 PolarHBondContact O-N 3.33Å; E469-L472 WeakPolarHBondContact O-CB 3.37Å; E469-L472 PolarHBondContact O-N 3.33Å; E469-L472 VanDerWaalsContact O-N 3.13Å; L470-L472 VanDerWaalsContact C-N 3.32Å; L470-L472 PolarHBondContact O-N 3.29Å; L472-A475 PolarHBondContact O-N 3.13Å; L472-Q476 PolarHBondContact O-N 3.09Å |
| 473 | I | 92.2 | Very high | 87 | Confident | 10.5 Ų | 10.5 | 28.2 Ų | 28.2 | 5% | 0.054 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 174.5 | -65.5 | 167.8 | 0 | 0 | 0 | 110.4 | T431 E469 L470 A475 Q476 F477 A510 L513 V518 | T431-I473 HydrophobicContact CG2-CG1 4.44Å; E469-I473 HydrophobicContact CG-CD1 4.1Å; E469-I473 WeakPolarHBondContact O-CG1 3.39Å; E469-I473 PolarHBondContact O-N 3.03Å; L470-I473 PolarHBondContact O-N 2.91Å; I473-A475 VanDerWaalsContact C-N 3.33Å; I473-A475 PolarHBondContact O-N 3.13Å; I473-Q476 VanDerWaalsContact O-CB 3.24Å; I473-Q476 WeakPolarHBondContact O-CB 3.3Å; I473-Q476 PolarHBondContact O-N 3.23Å; I473-Q476 VanDerWaalsContact O-N 3.08Å; I473-F477 HydrophobicContact CG2-CD2 3.96Å; I473-F477 HydrophobicContact CG2-CE2 3.94Å; I473-F477 WeakPolarHBondContact O-CD2 3.37Å; I473-F477 PolarHBondContact O-N 3Å; I473-A510 HydrophobicContact CG2-CB 4.28Å; I473-L513 HydrophobicContact CD1-CD1 3.66Å; I473-V518 HydrophobicContact CG2-CG1 3.76Å; I473-V518 HydrophobicContact CG2-CG2 4.45Å |
| 474 | E | 94.6 | Very high | 89 | Confident | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.019 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56.2 | -46.7 | 173.3 | 177.1 | 177.5 | -169.9 | 0 | 0 | 111.5 | S347 S348 L470 I471 Q476 F477 H478 V518 | S347-E474 WeakPolarHBondContact CA-OE1 3.32Å; S348-E474 WeakPolarHBondContact CB-OE2 3.49Å; S348-E474 PolarHBondContact N-OE1 3.49Å; S348-E474 PolarHBondContact N-OE2 2.95Å; S348-E474 PolarHBondContact OG-OE1 3.06Å; S348-E474 PolarHBondContact OG-OE2 3.36Å; L470-E474 WeakPolarHBondContact O-CB 3.39Å; L470-E474 PolarHBondContact O-N 3.45Å; I471-E474 PolarHBondContact O-N 3.28Å; E474-Q476 VanDerWaalsContact C-N 3.31Å; E474-Q476 PolarHBondContact O-N 3.06Å; E474-F477 PolarHBondContact O-N 2.88Å; E474-H478 VanDerWaalsContact CG-CE1 3.49Å; E474-H478 WeakPolarHBondContact CG-CE1 3.18Å; E474-H478 WeakPolarHBondContact O-CB 3.44Å; E474-H478 VanDerWaalsContact O-CG 3.29Å; E474-H478 PolarHBondContact O-N 3.04Å; E474-H478 PolarHBondContact O-ND1 3.13Å; E474-H478 IonicContact OE1-CE1 3.09Å; E474-V518 HydrophobicContact CB-CG2 4.45Å |
| 475 | A | 93.5 | Very high | 90.6 | Very high | 12.5 Ų | 12.5 | 19.5 Ų | 19.5 | 10% | 0.103 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.9 | -34.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | V389 N393 I471 L472 I473 H478 A479 | V389-A475 HydrophobicContact CG1-CB 4.41Å; N393-A475 PolarHBondContact ND2-O 3.01Å; I471-A475 WeakPolarHBondContact O-CB 3.32Å; I471-A475 PolarHBondContact O-N 2.95Å; L472-A475 PolarHBondContact O-N 3.13Å; I473-A475 VanDerWaalsContact C-N 3.33Å; I473-A475 PolarHBondContact O-N 3.13Å; A475-H478 PolarHBondContact O-N 3.11Å; A475-A479 PolarHBondContact O-N 3.26Å |
| 476 | Q | 94.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.009 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.3 | -49.4 | 174.7 | -162.2 | -177.4 | 14.3 | 0 | 0 | 110.9 | W386 I426 T431 L472 I473 E474 A479 L480 | W386-Q476 HydrophobicContact CH2-CB 4.21Å; W386-Q476 HydrophobicContact CH2-CG 4.39Å; W386-Q476 HydrophobicContact CZ3-CB 3.95Å; W386-Q476 HydrophobicContact CZ3-CG 4.35Å; I426-Q476 HydrophobicContact CG2-CG 3.64Å; I426-Q476 PolarHBondContact O-NE2 3.12Å; T431-Q476 VanDerWaalsContact CG2-OE1 3.31Å; L472-Q476 PolarHBondContact O-N 3.09Å; I473-Q476 VanDerWaalsContact O-CB 3.24Å; I473-Q476 WeakPolarHBondContact O-CB 3.3Å; I473-Q476 PolarHBondContact O-N 3.23Å; I473-Q476 VanDerWaalsContact O-N 3.08Å; E474-Q476 VanDerWaalsContact C-N 3.31Å; E474-Q476 PolarHBondContact O-N 3.06Å; Q476-A479 PolarHBondContact O-N 3.27Å; Q476-A479 VanDerWaalsContact O-N 3.16Å; Q476-L480 WeakPolarHBondContact O-CG 3.38Å; Q476-L480 PolarHBondContact O-N 3.28Å |
| 477 | F | 96.7 | Very high | 92.2 | Very high | 2.5 Ų | 2.5 | 16.1 Ų | 16.1 | 1% | 0.011 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68.8 | -34.6 | 178.8 | -79.4 | -78.9 | 0 | 0 | 0 | 112.7 | I473 E474 A479 L480 R481 L503 L506 V507 A510 V522 A525 | I473-F477 HydrophobicContact CG2-CD2 3.96Å; I473-F477 HydrophobicContact CG2-CE2 3.94Å; I473-F477 WeakPolarHBondContact O-CD2 3.37Å; I473-F477 PolarHBondContact O-N 3Å; E474-F477 PolarHBondContact O-N 2.88Å; F477-A479 VanDerWaalsContact C-N 3.27Å; F477-A479 PolarHBondContact O-N 3.32Å; F477-L480 HydrophobicContact CD1-CD1 4.01Å; F477-L480 HydrophobicContact CE1-CD1 4.09Å; F477-L480 PolarHBondContact O-N 3.36Å; F477-R481 VanDerWaalsContact O-CB 3.29Å; F477-R481 WeakPolarHBondContact O-CB 3.25Å; F477-R481 PolarHBondContact O-N 3.08Å; F477-L503 HydrophobicContact CE1-CD1 4.25Å; F477-L506 HydrophobicContact CZ-CB 4.21Å; F477-V507 HydrophobicContact CE1-CG2 3.95Å; F477-V507 HydrophobicContact CZ-CG2 4.26Å; F477-A510 HydrophobicContact CE2-CB 3.89Å; F477-A510 HydrophobicContact CZ-CB 4.28Å; F477-V522 HydrophobicContact CD1-CB 4.35Å; F477-V522 HydrophobicContact CD1-CG2 3.99Å; F477-V522 HydrophobicContact CD2-CG2 3.6Å; F477-V522 HydrophobicContact CE1-CB 4.37Å; F477-V522 HydrophobicContact CE1-CG1 4.31Å; F477-V522 HydrophobicContact CE1-CG2 3.91Å; F477-V522 HydrophobicContact CE2-CG2 3.53Å; F477-V522 VanDerWaalsContact CE2-CG2 3.48Å; F477-V522 HydrophobicContact CG-CG2 3.85Å; F477-V522 HydrophobicContact CZ-CB 4.48Å; F477-V522 HydrophobicContact CZ-CG1 4.4Å; F477-V522 HydrophobicContact CZ-CG2 3.69Å; F477-A525 HydrophobicContact CB-CB 4.48Å; F477-A525 HydrophobicContact CD1-CB 4.04Å |
| 478 | H | 96.4 | Very high | 92.5 | Very high | 6 Ų | 6 | 14.7 Ų | 14.7 | 3% | 0.028 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.8 | -33 | 169.7 | -75.2 | 160.2 | 0 | 0 | 0 | 113.5 | Y345 V346 Y398 E474 A475 R482 S521 | Y345-H478 AromaticContact CD2-CE1 3.7Å; Y345-H478 AromaticContact CD2-NE2 3.82Å; Y345-H478 AromaticContact CE2-CE1 3.89Å; Y345-H478 AromaticContact CE2-ND1 3.95Å; V346-H478 PolarHBondContact O-CE1 3.44Å; V346-H478 VanDerWaalsContact O-CE1 3.22Å; V346-H478 PolarHBondContact O-NE2 3.04Å; Y398-H478 AromaticContact CE2-CD2 3.72Å; E474-H478 VanDerWaalsContact CG-CE1 3.49Å; E474-H478 WeakPolarHBondContact CG-CE1 3.18Å; E474-H478 WeakPolarHBondContact O-CB 3.44Å; E474-H478 VanDerWaalsContact O-CG 3.29Å; E474-H478 PolarHBondContact O-N 3.04Å; E474-H478 PolarHBondContact O-ND1 3.13Å; E474-H478 IonicContact OE1-CE1 3.09Å; A475-H478 PolarHBondContact O-N 3.11Å; H478-R482 WeakPolarHBondContact O-CD 3.47Å; H478-R482 VanDerWaalsContact O-CG 3.31Å; H478-R482 WeakPolarHBondContact O-CG 3.36Å; H478-R482 PolarHBondContact O-N 3.45Å; H478-R482 PolarHBondContact O-NH1 3.34Å; H478-S521 PolarHBondContact CE1-OG 3.39Å; H478-S521 WeakPolarHBondContact NE2-CB 3.12Å; H478-S521 PolarHBondContact NE2-OG 2.93Å |
| 479 | A | 96.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -78.2 | -41.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | V389 F392 N393 I426 A475 Q476 F477 R481 R482 L483 | V389-A479 HydrophobicContact CG1-CB 3.91Å; F392-A479 HydrophobicContact CD1-CB 3.85Å; F392-A479 HydrophobicContact CE1-CB 4.1Å; N393-A479 WeakPolarHBondContact OD1-CA 3.46Å; N393-A479 WeakPolarHBondContact OD1-CB 3.32Å; N393-A479 PolarHBondContact OD1-N 2.74Å; I426-A479 HydrophobicContact CD1-CB 3.77Å; A475-A479 PolarHBondContact O-N 3.26Å; Q476-A479 PolarHBondContact O-N 3.27Å; Q476-A479 VanDerWaalsContact O-N 3.16Å; F477-A479 VanDerWaalsContact C-N 3.27Å; F477-A479 PolarHBondContact O-N 3.32Å; A479-R481 PolarHBondContact O-N 2.97Å; A479-R482 PolarHBondContact O-N 2.94Å; A479-L483 WeakPolarHBondContact O-CG 3.4Å; A479-L483 PolarHBondContact O-N 3.01Å; A479-L483 VanDerWaalsContact O-N 3.1Å |
| 480 | L | 96.2 | Very high | 93.2 | Very high | 4.5 Ų | 4.5 | 10.5 Ų | 10.5 | 2% | 0.024 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -57.5 | -47.6 | 174.6 | -72.2 | 172.4 | 0 | 0 | 0 | 111.3 | L423 I426 L427 Q476 F477 R482 L483 V484 L503 | L423-L480 HydrophobicContact CD1-CD2 3.72Å; L423-L480 HydrophobicContact CD2-CD2 4.05Å; I426-L480 HydrophobicContact CB-CD2 4.15Å; I426-L480 HydrophobicContact CG2-CD1 4.41Å; I426-L480 HydrophobicContact CG2-CD2 3.63Å; I426-L480 HydrophobicContact CG2-CG 3.76Å; L427-L480 HydrophobicContact CD2-CD1 4.11Å; L427-L480 HydrophobicContact CD2-CD2 3.76Å; L427-L480 HydrophobicContact CG-CD2 4.01Å; Q476-L480 WeakPolarHBondContact O-CG 3.38Å; Q476-L480 PolarHBondContact O-N 3.28Å; F477-L480 HydrophobicContact CD1-CD1 4.01Å; F477-L480 HydrophobicContact CE1-CD1 4.09Å; F477-L480 PolarHBondContact O-N 3.36Å; L480-R482 VanDerWaalsContact C-N 3.32Å; L480-R482 PolarHBondContact O-N 3.38Å; L480-L483 PolarHBondContact O-N 3.15Å; L480-L483 VanDerWaalsContact O-N 3.11Å; L480-V484 VanDerWaalsContact O-CB 3.32Å; L480-V484 WeakPolarHBondContact O-CB 3.42Å; L480-V484 VanDerWaalsContact O-CG2 3.31Å; L480-V484 WeakPolarHBondContact O-CG2 3.41Å; L480-V484 PolarHBondContact O-N 3.07Å; L480-L503 HydrophobicContact CD1-CD1 4Å |
| 481 | R | 95.6 | Very high | 93.2 | Very high | 9.5 Ų | 9.5 | 10.6 Ų | 10.6 | 4% | 0.036 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -53.7 | -48.4 | 177.3 | -174 | -90.2 | 179.1 | 135 | -4.9 | 111.9 | Y398 F477 A479 L483 V484 A485 D524 A525 T528 M533 | Y398-R481 VanDerWaalsContact CD1-NE 3.33Å; Y398-R481 HydrophobicContact CE2-CG 4.49Å; Y398-R481 VanDerWaalsContact CZ-CD 3.48Å; Y398-R481 VanDerWaalsContact CZ-NH1 3.32Å; Y398-R481 WeakPolarHBondContact O-CD 3.47Å; Y398-R481 PolarHBondContact O-NE 3.04Å; Y398-R481 PolarHBondContact OH-NH1 3.45Å; F477-R481 VanDerWaalsContact O-CB 3.29Å; F477-R481 WeakPolarHBondContact O-CB 3.25Å; F477-R481 PolarHBondContact O-N 3.08Å; A479-R481 PolarHBondContact O-N 2.97Å; R481-L483 PolarHBondContact O-N 3.09Å; R481-V484 WeakPolarHBondContact O-CG2 3.23Å; R481-V484 PolarHBondContact O-N 3.43Å; R481-A485 WeakPolarHBondContact O-CB 3.38Å; R481-A485 PolarHBondContact O-N 2.87Å; R481-D524 IonicContact NE-OD2 3.25Å; R481-D524 IonicContact NH1-OD1 3.77Å; R481-D524 PolarHBondContact NH1-OD1 3.12Å; R481-D524 IonicContact NH1-OD2 3.45Å; R481-D524 PolarHBondContact NH1-OD2 3.48Å; R481-A525 HydrophobicContact CB-CB 3.95Å; R481-A525 HydrophobicContact CG-CB 4.46Å; R481-T528 HydrophobicContact CG-CG2 3.94Å; R481-M533 PolarHBondContact NH2-SD 3.18Å |
| 482 | R | 95.3 | Very high | 93.1 | Very high | 2.5 Ų | 2.5 | 9 Ų | 9 | 1% | 0.009 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -62.1 | -42.1 | 179.2 | -71 | 173.2 | 168.2 | 77.2 | -3.1 | 112.6 | F392 N393 I396 A397 Y398 G400 H478 A479 L480 | F392-R482 HydrophobicContact CE1-CB 3.92Å; F392-R482 HydrophobicContact CZ-CB 4.33Å; N393-R482 PolarHBondContact O-NH2 3.29Å; N393-R482 PolarHBondContact OD1-NH1 3.41Å; I396-R482 HydrophobicContact CG2-CB 4.15Å; I396-R482 HydrophobicContact CG2-CG 4.38Å; I396-R482 PolarHBondContact O-NE 2.91Å; A397-R482 WeakPolarHBondContact O-CG 3.42Å; Y398-R482 VanDerWaalsContact CD2-NH1 3.34Å; G400-R482 WeakPolarHBondContact CA-O 3.33Å; H478-R482 WeakPolarHBondContact O-CD 3.47Å; H478-R482 VanDerWaalsContact O-CG 3.31Å; H478-R482 WeakPolarHBondContact O-CG 3.36Å; H478-R482 PolarHBondContact O-N 3.45Å; H478-R482 PolarHBondContact O-NH1 3.34Å; A479-R482 PolarHBondContact O-N 2.94Å; L480-R482 VanDerWaalsContact C-N 3.32Å; L480-R482 PolarHBondContact O-N 3.38Å |
| 483 | L | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -67.1 | -47.6 | 177 | -70.9 | 171.9 | 0 | 0 | 0 | 111.5 | L373 F392 L401 I419 A422 L423 I426 A479 L480 R481 A485 S486 G489 | L373-L483 HydrophobicContact CD2-CD2 3.88Å; F392-L483 HydrophobicContact CE1-CG 4.24Å; F392-L483 HydrophobicContact CE2-CD2 4.13Å; F392-L483 HydrophobicContact CZ-CD2 3.68Å; F392-L483 HydrophobicContact CZ-CG 3.81Å; L401-L483 HydrophobicContact CD1-CD2 4.17Å; I419-L483 HydrophobicContact CG2-CD2 4.21Å; A422-L483 HydrophobicContact CB-CD1 4.29Å; A422-L483 HydrophobicContact CB-CD2 4.28Å; L423-L483 HydrophobicContact CB-CD1 4.24Å; L423-L483 HydrophobicContact CD1-CB 4.38Å; L423-L483 HydrophobicContact CD1-CD1 4.33Å; L423-L483 HydrophobicContact CD2-CB 3.51Å; L423-L483 HydrophobicContact CD2-CD1 3.75Å; L423-L483 HydrophobicContact CD2-CG 4.26Å; L423-L483 HydrophobicContact CG-CB 3.88Å; L423-L483 HydrophobicContact CG-CD1 3.95Å; L423-L483 HydrophobicContact CG-CG 4.44Å; I426-L483 HydrophobicContact CD1-CD1 3.64Å; A479-L483 WeakPolarHBondContact O-CG 3.4Å; A479-L483 PolarHBondContact O-N 3.01Å; A479-L483 VanDerWaalsContact O-N 3.1Å; L480-L483 PolarHBondContact O-N 3.15Å; L480-L483 VanDerWaalsContact O-N 3.11Å; R481-L483 PolarHBondContact O-N 3.09Å; L483-A485 VanDerWaalsContact C-N 3.27Å; L483-A485 PolarHBondContact O-N 3.02Å; L483-S486 WeakPolarHBondContact O-CB 3.23Å; L483-S486 PolarHBondContact O-N 3.16Å; L483-S486 VanDerWaalsContact O-N 3.16Å; L483-S486 PolarHBondContact O-OG 3.08Å; L483-G489 WeakPolarHBondContact O-CA 3.16Å |
| 484 | V | 93.8 | Very high | 92.9 | Very high | 8 Ų | 8 | 9.9 Ų | 9.9 | 5% | 0.048 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -66.2 | -27.7 | -179.6 | -129.2 | 0 | 0 | 0 | 0 | 113 | L423 L480 R481 S486 F490 T528 L529 | L423-V484 HydrophobicContact CD2-CG1 4.08Å; L480-V484 VanDerWaalsContact O-CB 3.32Å; L480-V484 WeakPolarHBondContact O-CB 3.42Å; L480-V484 VanDerWaalsContact O-CG2 3.31Å; L480-V484 WeakPolarHBondContact O-CG2 3.41Å; L480-V484 PolarHBondContact O-N 3.07Å; R481-V484 WeakPolarHBondContact O-CG2 3.23Å; R481-V484 PolarHBondContact O-N 3.43Å; V484-S486 PolarHBondContact O-N 2.88Å; V484-S486 VanDerWaalsContact O-O 3.1Å; V484-F490 WeakPolarHBondContact O-CA 3.22Å; V484-F490 WeakPolarHBondContact O-CB 3.37Å; V484-F490 PolarHBondContact O-N 3.22Å; V484-F490 VanDerWaalsContact O-N 3.1Å; V484-T528 VanDerWaalsContact CG1-OG1 3.29Å; V484-T528 WeakPolarHBondContact CG1-OG1 3.39Å; V484-T528 HydrophobicContact CG2-CG2 3.69Å; V484-L529 HydrophobicContact CB-CD2 4.1Å; V484-L529 HydrophobicContact CB-CG 4.24Å; V484-L529 HydrophobicContact CG1-CD2 3.66Å; V484-L529 VanDerWaalsContact CG1-CD2 3.5Å; V484-L529 HydrophobicContact CG1-CG 4.03Å; V484-L529 HydrophobicContact CG2-CD2 4.2Å; V484-L529 HydrophobicContact CG2-CG 4.36Å |
| 485 | A | 92.5 | Very high | 92.5 | Very high | 2.5 Ų | 2.5 | 13.4 Ų | 13.4 | 2% | 0.021 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -65.1 | -25.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S399 R481 L483 T528 M533 H534 | S399-A485 VanDerWaalsContact O-CB 3.3Å; S399-A485 WeakPolarHBondContact O-CB 3.35Å; R481-A485 WeakPolarHBondContact O-CB 3.38Å; R481-A485 PolarHBondContact O-N 2.87Å; L483-A485 VanDerWaalsContact C-N 3.27Å; L483-A485 PolarHBondContact O-N 3.02Å; A485-T528 HydrophobicContact CB-CG2 3.94Å; A485-M533 HydrophobicContact CB-CB 3.9Å; A485-M533 HydrophobicContact CB-CG 4.2Å; A485-H534 PolarHBondContact O-CD2 3.37Å; A485-H534 PolarHBondContact O-ND1 3.12Å |
| 486 | S | 91.4 | Very high | 92.2 | Very high | 5 Ų | 5 | 14.6 Ų | 14.6 | 4% | 0.035 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -73.3 | 146.8 | 171.5 | 77 | 0 | 0 | 0 | 0 | 111.6 | L483 V484 A488 G489 F490 | L483-S486 WeakPolarHBondContact O-CB 3.23Å; L483-S486 PolarHBondContact O-N 3.16Å; L483-S486 VanDerWaalsContact O-N 3.16Å; L483-S486 PolarHBondContact O-OG 3.08Å; V484-S486 PolarHBondContact O-N 2.88Å; V484-S486 VanDerWaalsContact O-O 3.1Å; S486-A488 VanDerWaalsContact C-N 3.3Å; S486-A488 PolarHBondContact O-N 3.16Å; S486-A488 VanDerWaalsContact O-N 3.16Å; S486-G489 WeakPolarHBondContact O-CA 3.22Å; S486-G489 PolarHBondContact O-N 3.38Å; S486-G489 PolarHBondContact OG-N 3.08Å; S486-F490 WeakPolarHBondContact O-CB 3.37Å; S486-F490 PolarHBondContact O-N 3.11Å |
| 487 | K | 88.9 | Confident | 91.6 | Very high | 90 Ų | 90 | 20.4 Ų | 20.4 | 39% | 0.391 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -52.9 | -42.4 | 178.7 | -170.4 | 174.9 | -175 | 174.8 | 0 | 112.9 | G489 F490 N491 H534 | K487-G489 VanDerWaalsContact C-N 3.33Å; K487-G489 PolarHBondContact O-N 3.2Å; K487-F490 PolarHBondContact O-N 3.41Å; K487-N491 WeakPolarHBondContact O-CB 3.35Å; K487-N491 VanDerWaalsContact O-CG 3.3Å; K487-N491 PolarHBondContact O-N 3.04Å; K487-N491 VanDerWaalsContact O-N 3.11Å; K487-N491 PolarHBondContact O-OD1 2.76Å; K487-N491 VanDerWaalsContact O-OD1 3.09Å; K487-H534 VanDerWaalsContact CA-CD2 3.43Å; K487-H534 WeakPolarHBondContact CA-CD2 3.47Å; K487-H534 PolarHBondContact N-CD2 2.8Å |
| 488 | A | 88.8 | Confident | 91.1 | Very high | 5 Ų | 5 | 22.5 Ų | 22.5 | 4% | 0.041 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.9 | -39.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E416 I419 S486 A492 | E416-A488 HydrophobicContact CB-CB 4.1Å; E416-A488 HydrophobicContact CG-CB 3.96Å; I419-A488 HydrophobicContact CB-CB 4.2Å; I419-A488 HydrophobicContact CD1-CB 3.92Å; I419-A488 HydrophobicContact CG2-CB 4.06Å; S486-A488 VanDerWaalsContact C-N 3.3Å; S486-A488 PolarHBondContact O-N 3.16Å; S486-A488 VanDerWaalsContact O-N 3.16Å; A488-A492 WeakPolarHBondContact O-CB 3.45Å; A488-A492 PolarHBondContact O-N 3.33Å |
| 489 | G | 90.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -75.6 | -39.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L483 S486 K487 N491 A492 F493 | L483-G489 WeakPolarHBondContact O-CA 3.16Å; S486-G489 WeakPolarHBondContact O-CA 3.22Å; S486-G489 PolarHBondContact O-N 3.38Å; S486-G489 PolarHBondContact OG-N 3.08Å; K487-G489 VanDerWaalsContact C-N 3.33Å; K487-G489 PolarHBondContact O-N 3.2Å; G489-N491 VanDerWaalsContact C-N 3.31Å; G489-N491 PolarHBondContact O-N 3.15Å; G489-A492 PolarHBondContact O-N 3.06Å; G489-F493 PolarHBondContact O-N 3.14Å |
| 490 | F | 92.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59 | -42.6 | 174.6 | -170.9 | -100.7 | 0 | 0 | 0 | 111.7 | V484 S486 K487 T528 L529 P532 H534 Q541 E542 N545 | V484-F490 WeakPolarHBondContact O-CA 3.22Å; V484-F490 WeakPolarHBondContact O-CB 3.37Å; V484-F490 PolarHBondContact O-N 3.22Å; V484-F490 VanDerWaalsContact O-N 3.1Å; S486-F490 WeakPolarHBondContact O-CB 3.37Å; S486-F490 PolarHBondContact O-N 3.11Å; K487-F490 PolarHBondContact O-N 3.41Å; F490-T528 VanDerWaalsContact CD2-O 3.27Å; F490-T528 WeakPolarHBondContact CD2-O 3.39Å; F490-T528 VanDerWaalsContact CE2-O 3.29Å; F490-T528 WeakPolarHBondContact CE2-O 3.24Å; F490-L529 VanDerWaalsContact CE2-O 3.24Å; F490-L529 WeakPolarHBondContact CE2-O 3.38Å; F490-P532 HydrophobicContact CD1-CB 4.4Å; F490-P532 HydrophobicContact CD2-CB 4.28Å; F490-P532 HydrophobicContact CE1-CB 4.11Å; F490-P532 HydrophobicContact CE1-CG 4.5Å; F490-P532 HydrophobicContact CE2-CB 3.89Å; F490-P532 HydrophobicContact CZ-CB 3.8Å; F490-P532 HydrophobicContact CZ-CG 4.19Å; F490-H534 AromaticContact CD1-CE1 3.91Å; F490-H534 AromaticContact CD1-NE2 3.94Å; F490-H534 AromaticContact CG-CE1 3.71Å; F490-H534 AromaticContact CG-NE2 3.89Å; F490-Q541 HydrophobicContact CD1-CB 4.35Å; F490-Q541 HydrophobicContact CD1-CG 3.66Å; F490-Q541 HydrophobicContact CE1-CB 4.06Å; F490-Q541 HydrophobicContact CE1-CG 3.71Å; F490-Q541 PolarHBondContact O-NE2 2.82Å; F490-E542 HydrophobicContact CZ-CB 4.25Å; F490-N545 WeakPolarHBondContact CE1-ND2 3.22Å; F490-N545 VanDerWaalsContact CE2-ND2 3.31Å; F490-N545 WeakPolarHBondContact CE2-ND2 3.35Å; F490-N545 VanDerWaalsContact CZ-ND2 3.3Å; F490-N545 WeakPolarHBondContact CZ-ND2 3.43Å; F490-N545 PolarHBondContact O-ND2 2.81Å; F490-N545 VanDerWaalsContact O-ND2 3.08Å; F490-N545 PolarHBondContact O-OD1 3.17Å |
| 491 | N | 90.2 | Very high | 90.1 | Very high | 22 Ų | 22 | 32.6 Ų | 32.6 | 12% | 0.118 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -74.5 | -37.1 | 177.6 | -66.6 | 21.3 | 0 | 0 | 0 | 112.1 | K487 G489 F493 T494 Q495 Q541 | K487-N491 WeakPolarHBondContact O-CB 3.35Å; K487-N491 VanDerWaalsContact O-CG 3.3Å; K487-N491 PolarHBondContact O-N 3.04Å; K487-N491 VanDerWaalsContact O-N 3.11Å; K487-N491 PolarHBondContact O-OD1 2.76Å; K487-N491 VanDerWaalsContact O-OD1 3.09Å; G489-N491 VanDerWaalsContact C-N 3.31Å; G489-N491 PolarHBondContact O-N 3.15Å; N491-F493 PolarHBondContact O-N 3.02Å; N491-F493 VanDerWaalsContact O-N 3.12Å; N491-T494 PolarHBondContact O-N 3.15Å; N491-Q495 WeakPolarHBondContact O-CB 3.24Å; N491-Q495 VanDerWaalsContact O-CG 3.3Å; N491-Q495 WeakPolarHBondContact O-CG 3.35Å; N491-Q495 PolarHBondContact O-N 3.27Å; N491-Q495 VanDerWaalsContact O-N 3.14Å; N491-Q541 HydrophobicContact CB-CG 4.38Å; N491-Q541 WeakPolarHBondContact OD1-CG 3.35Å |
| 492 | A | 89.6 | Confident | 89.8 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.8 | -29.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K420 L423 A488 G489 T494 L496 | K420-A492 HydrophobicContact CG-CB 3.99Å; L423-A492 HydrophobicContact CD1-CB 3.82Å; L423-A492 HydrophobicContact CD2-CB 3.73Å; A488-A492 WeakPolarHBondContact O-CB 3.45Å; A488-A492 PolarHBondContact O-N 3.33Å; G489-A492 PolarHBondContact O-N 3.06Å; A492-T494 VanDerWaalsContact C-N 3.26Å; A492-T494 PolarHBondContact O-N 3.1Å; A492-L496 HydrophobicContact CB-CD1 3.95Å; A492-L496 HydrophobicContact CB-CG 4.23Å; A492-L496 WeakPolarHBondContact O-CB 3.42Å; A492-L496 PolarHBondContact O-N 3.21Å |
| 493 | F | 90.8 | Very high | 89.7 | Confident | 12.5 Ų | 12.5 | 34.9 Ų | 34.9 | 6% | 0.055 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.2 | -37.6 | -179.9 | 179.9 | -118.4 | 0 | 0 | 0 | 113.1 | G489 N491 I499 R500 L503 L529 N545 I549 | G489-F493 PolarHBondContact O-N 3.14Å; N491-F493 PolarHBondContact O-N 3.02Å; N491-F493 VanDerWaalsContact O-N 3.12Å; F493-I499 HydrophobicContact CD2-CG2 4.17Å; F493-R500 HydrophobicContact CD1-CG 4.44Å; F493-R500 HydrophobicContact CD2-CG 3.99Å; F493-R500 HydrophobicContact CE1-CG 4.3Å; F493-R500 HydrophobicContact CE2-CB 4.15Å; F493-R500 HydrophobicContact CE2-CG 3.72Å; F493-R500 HydrophobicContact CG-CG 4.38Å; F493-R500 HydrophobicContact CZ-CB 4.38Å; F493-R500 HydrophobicContact CZ-CG 3.9Å; F493-R500 WeakPolarHBondContact O-CD 3.37Å; F493-R500 WeakPolarHBondContact O-CG 3.38Å; F493-L503 HydrophobicContact CD2-CD2 4.03Å; F493-L503 HydrophobicContact CE2-CD2 3.8Å; F493-L529 HydrophobicContact CB-CD2 3.69Å; F493-L529 HydrophobicContact CD1-CD1 4.2Å; F493-L529 HydrophobicContact CD1-CD2 4.16Å; F493-L529 HydrophobicContact CD2-CD1 3.85Å; F493-L529 HydrophobicContact CD2-CD2 4.28Å; F493-L529 HydrophobicContact CE1-CD1 4.27Å; F493-L529 HydrophobicContact CE2-CD1 3.96Å; F493-L529 HydrophobicContact CG-CD1 3.98Å; F493-L529 HydrophobicContact CG-CD2 3.85Å; F493-L529 HydrophobicContact CG-CG 4.46Å; F493-L529 HydrophobicContact CZ-CD1 4.17Å; F493-N545 HydrophobicContact CD1-CB 4.2Å; F493-N545 WeakPolarHBondContact CD1-OD1 3.42Å; F493-N545 HydrophobicContact CE1-CB 4.48Å; F493-I549 HydrophobicContact CE1-CD1 4.08Å; F493-I549 HydrophobicContact CE1-CG1 3.8Å; F493-I549 HydrophobicContact CZ-CD1 4.41Å; F493-I549 HydrophobicContact CZ-CG1 3.85Å |
| 494 | T | 87.2 | Confident | 89.6 | Confident | 18.5 Ų | 18.5 | 36.5 Ų | 36.5 | 11% | 0.113 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -102 | -30.4 | 178.4 | 65.1 | 0 | 0 | 0 | 0 | 113.3 | N491 A492 Q541 L544 N545 | N491-T494 PolarHBondContact O-N 3.15Å; A492-T494 VanDerWaalsContact C-N 3.26Å; A492-T494 PolarHBondContact O-N 3.1Å; T494-Q541 PolarHBondContact OG1-NE2 3.17Å; T494-Q541 PolarHBondContact OG1-OE1 3.18Å; T494-L544 HydrophobicContact CG2-CB 3.9Å; T494-N545 VanDerWaalsContact CG2-OD1 3.24Å; T494-N545 WeakPolarHBondContact CG2-OD1 3.26Å |
| 495 | Q | 86 | Confident | 89.5 | Confident | 79 Ų | 79 | 41.6 Ų | 41.6 | 37% | 0.369 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -73.7 | -34.4 | -177.2 | -69.1 | -179 | -9.9 | 0 | 0 | 112.9 | N491 E786 | N491-Q495 WeakPolarHBondContact O-CB 3.24Å; N491-Q495 VanDerWaalsContact O-CG 3.3Å; N491-Q495 WeakPolarHBondContact O-CG 3.35Å; N491-Q495 PolarHBondContact O-N 3.27Å; N491-Q495 VanDerWaalsContact O-N 3.14Å; Q495-E786 PolarHBondContact NE2-OE1 3.23Å |
| 496 | L | 86.2 | Confident | 89.5 | Confident | 37.5 Ų | 37.5 | 42.8 Ų | 42.8 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -89 | 130.3 | -178.3 | -65.5 | -176.7 | 0 | 0 | 0 | 111.9 | K420 I424 A492 I499 | K420-L496 HydrophobicContact CB-CD1 3.86Å; K420-L496 HydrophobicContact CD-CD1 4.4Å; K420-L496 HydrophobicContact CD-CD2 4.45Å; K420-L496 HydrophobicContact CG-CD1 3.9Å; I424-L496 HydrophobicContact CD1-CD1 4.19Å; I424-L496 HydrophobicContact CG1-CD1 4.36Å; A492-L496 HydrophobicContact CB-CD1 3.95Å; A492-L496 HydrophobicContact CB-CG 4.23Å; A492-L496 WeakPolarHBondContact O-CB 3.42Å; A492-L496 PolarHBondContact O-N 3.21Å; L496-I499 HydrophobicContact CB-CB 4.47Å; L496-I499 HydrophobicContact CB-CD1 3.61Å; L496-I499 VanDerWaalsContact CB-CD1 3.5Å; L496-I499 HydrophobicContact CB-CG1 3.9Å; L496-I499 HydrophobicContact CD1-CD1 3.46Å; L496-I499 HydrophobicContact CD1-CG1 4.5Å; L496-I499 HydrophobicContact CG-CD1 4.15Å |
| 497 | P | 83.8 | Confident | 89.6 | Confident | 123.5 Ų | 123.5 | 42.9 Ų | 42.9 | 80% | 0.802 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 144 | 178.8 | 28.6 | -34.3 | 0 | 0 | 0 | 111.3 | I499 | P497-I499 VanDerWaalsContact C-N 3.26Å; P497-I499 PolarHBondContact O-N 3.2Å |
| 498 | G | 86 | Confident | 89.8 | Confident | 45.5 Ų | 45.5 | 41.3 Ų | 41.3 | 47% | 0.469 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -32.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R500 V501 T502 | G498-R500 VanDerWaalsContact C-N 3.32Å; G498-R500 PolarHBondContact O-N 3.01Å; G498-R500 VanDerWaalsContact O-N 3.11Å; G498-V501 WeakPolarHBondContact O-CA 3.4Å; G498-V501 WeakPolarHBondContact O-CB 3.36Å; G498-V501 PolarHBondContact O-N 3.18Å; G498-T502 PolarHBondContact O-N 3.28Å; G498-T502 VanDerWaalsContact O-N 3.11Å; G498-T502 PolarHBondContact O-OG1 3.34Å |
| 499 | I | 88.6 | Confident | 90 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -51.7 | -45.4 | -174.2 | -74.6 | -161.3 | 0 | 0 | 0 | 113.4 | L423 I424 L427 F493 L496 P497 V501 T502 L503 | L423-I499 HydrophobicContact CD2-CD1 3.79Å; L423-I499 HydrophobicContact CG-CD1 4.11Å; I424-I499 HydrophobicContact CG1-CD1 4.05Å; L427-I499 HydrophobicContact CD1-CB 4.23Å; L427-I499 HydrophobicContact CD1-CD1 4.1Å; L427-I499 HydrophobicContact CD1-CG1 4.03Å; L427-I499 HydrophobicContact CD1-CG2 3.68Å; F493-I499 HydrophobicContact CD2-CG2 4.17Å; L496-I499 HydrophobicContact CB-CB 4.47Å; L496-I499 HydrophobicContact CB-CD1 3.61Å; L496-I499 VanDerWaalsContact CB-CD1 3.5Å; L496-I499 HydrophobicContact CB-CG1 3.9Å; L496-I499 HydrophobicContact CD1-CD1 3.46Å; L496-I499 HydrophobicContact CD1-CG1 4.5Å; L496-I499 HydrophobicContact CG-CD1 4.15Å; P497-I499 VanDerWaalsContact C-N 3.26Å; P497-I499 PolarHBondContact O-N 3.2Å; I499-V501 VanDerWaalsContact C-N 3.28Å; I499-V501 PolarHBondContact O-N 3.14Å; I499-T502 PolarHBondContact O-N 3.32Å; I499-L503 WeakPolarHBondContact O-CB 3.27Å; I499-L503 PolarHBondContact O-N 3.34Å |
| 500 | R | 88.7 | Confident | 90.1 | Very high | 120 Ų | 120 | 45.5 Ų | 45.5 | 45% | 0.453 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.6 | -39.2 | 179.3 | -61.3 | -173.4 | -92.3 | 173.8 | -3 | 112.9 | F493 G498 G504 S548 | F493-R500 HydrophobicContact CD1-CG 4.44Å; F493-R500 HydrophobicContact CD2-CG 3.99Å; F493-R500 HydrophobicContact CE1-CG 4.3Å; F493-R500 HydrophobicContact CE2-CB 4.15Å; F493-R500 HydrophobicContact CE2-CG 3.72Å; F493-R500 HydrophobicContact CG-CG 4.38Å; F493-R500 HydrophobicContact CZ-CB 4.38Å; F493-R500 HydrophobicContact CZ-CG 3.9Å; F493-R500 WeakPolarHBondContact O-CD 3.37Å; F493-R500 WeakPolarHBondContact O-CG 3.38Å; G498-R500 VanDerWaalsContact C-N 3.32Å; G498-R500 PolarHBondContact O-N 3.01Å; G498-R500 VanDerWaalsContact O-N 3.11Å; R500-G504 PolarHBondContact O-N 3.13Å; R500-S548 WeakPolarHBondContact CD-OG 3.39Å; R500-S548 PolarHBondContact NH1-OG 3.41Å |
| 501 | V | 89.7 | Confident | 90.1 | Very high | 92.5 Ų | 92.5 | 45.7 Ų | 45.7 | 56% | 0.561 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -71.9 | -46.9 | -179.9 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | G498 I499 G504 Q505 | G498-V501 WeakPolarHBondContact O-CA 3.4Å; G498-V501 WeakPolarHBondContact O-CB 3.36Å; G498-V501 PolarHBondContact O-N 3.18Å; I499-V501 VanDerWaalsContact C-N 3.28Å; I499-V501 PolarHBondContact O-N 3.14Å; V501-G504 PolarHBondContact O-N 3.29Å; V501-Q505 WeakPolarHBondContact O-CB 3.16Å; V501-Q505 VanDerWaalsContact O-CG 3.31Å; V501-Q505 WeakPolarHBondContact O-CG 3.46Å; V501-Q505 PolarHBondContact O-N 3.12Å |
| 502 | T | 91 | Very high | 90.2 | Very high | 41.5 Ų | 41.5 | 50.7 Ų | 50.7 | 26% | 0.255 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.6 | -46.6 | -179.9 | -48.5 | 0 | 0 | 0 | 0 | 111.8 | L427 G498 I499 G504 Q505 L506 | L427-T502 HydrophobicContact CB-CG2 3.99Å; L427-T502 WeakPolarHBondContact O-CG2 3.32Å; G498-T502 PolarHBondContact O-N 3.28Å; G498-T502 VanDerWaalsContact O-N 3.11Å; G498-T502 PolarHBondContact O-OG1 3.34Å; I499-T502 PolarHBondContact O-N 3.32Å; T502-G504 PolarHBondContact O-N 3.11Å; T502-Q505 PolarHBondContact O-N 3.26Å; T502-L506 WeakPolarHBondContact O-CG 3.47Å; T502-L506 PolarHBondContact O-N 3.1Å |
| 503 | L | 92.8 | Very high | 90.2 | Very high | 19 Ų | 19 | 54.6 Ų | 54.6 | 10% | 0.099 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 175.3 | -179.9 | 57.6 | 0 | 0 | 0 | 111.1 | L427 F477 L480 F493 I499 Q505 L506 V507 L529 | L427-L503 HydrophobicContact CD2-CB 3.87Å; L427-L503 HydrophobicContact CD2-CD1 3.87Å; L427-L503 HydrophobicContact CD2-CG 4.41Å; F477-L503 HydrophobicContact CE1-CD1 4.25Å; L480-L503 HydrophobicContact CD1-CD1 4Å; F493-L503 HydrophobicContact CD2-CD2 4.03Å; F493-L503 HydrophobicContact CE2-CD2 3.8Å; I499-L503 WeakPolarHBondContact O-CB 3.27Å; I499-L503 PolarHBondContact O-N 3.34Å; L503-Q505 VanDerWaalsContact C-N 3.3Å; L503-Q505 PolarHBondContact O-N 3.33Å; L503-L506 PolarHBondContact O-N 3.2Å; L503-V507 HydrophobicContact CD1-CG2 4.03Å; L503-V507 HydrophobicContact CG-CG2 4.27Å; L503-V507 WeakPolarHBondContact O-CB 3.22Å; L503-V507 VanDerWaalsContact O-CG2 3.25Å; L503-V507 WeakPolarHBondContact O-CG2 3.42Å; L503-V507 PolarHBondContact O-N 3.15Å; L503-L529 HydrophobicContact CD2-CD1 3.75Å |
| 504 | G | 91.9 | Very high | 90.2 | Very high | 32.5 Ų | 32.5 | 60.1 Ų | 60.1 | 34% | 0.335 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.4 | -39.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R500 V501 T502 V507 V508 | R500-G504 PolarHBondContact O-N 3.13Å; V501-G504 PolarHBondContact O-N 3.29Å; T502-G504 PolarHBondContact O-N 3.11Å; G504-V507 PolarHBondContact O-N 3.26Å; G504-V508 VanDerWaalsContact O-CB 3.31Å; G504-V508 WeakPolarHBondContact O-CB 3.37Å; G504-V508 VanDerWaalsContact O-CG2 3.28Å; G504-V508 WeakPolarHBondContact O-CG2 3.48Å; G504-V508 PolarHBondContact O-N 3.17Å |
| 505 | Q | 91.2 | Very high | 90.4 | Very high | 116 Ų | 116 | 60.5 Ų | 60.5 | 54% | 0.542 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.3 | -44.5 | 174.8 | -73.9 | 174.3 | -0.8 | 0 | 0 | 112.3 | V501 T502 L503 V508 N509 | V501-Q505 WeakPolarHBondContact O-CB 3.16Å; V501-Q505 VanDerWaalsContact O-CG 3.31Å; V501-Q505 WeakPolarHBondContact O-CG 3.46Å; V501-Q505 PolarHBondContact O-N 3.12Å; T502-Q505 PolarHBondContact O-N 3.26Å; L503-Q505 VanDerWaalsContact C-N 3.3Å; L503-Q505 PolarHBondContact O-N 3.33Å; Q505-V508 PolarHBondContact O-N 3.13Å; Q505-N509 VanDerWaalsContact O-CB 3.31Å; Q505-N509 WeakPolarHBondContact O-CB 3.39Å; Q505-N509 PolarHBondContact O-N 3.24Å; Q505-N509 PolarHBondContact O-ND2 3.02Å |
| 506 | L | 92.6 | Very high | 90.8 | Very high | 28.5 Ų | 28.5 | 59 Ų | 59 | 15% | 0.149 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 175.9 | -73 | 172.2 | 0 | 0 | 0 | 111.5 | L427 F477 T502 L503 N509 A510 | L427-L506 HydrophobicContact CD2-CD1 3.81Å; F477-L506 HydrophobicContact CZ-CB 4.21Å; T502-L506 WeakPolarHBondContact O-CG 3.47Å; T502-L506 PolarHBondContact O-N 3.1Å; L503-L506 PolarHBondContact O-N 3.2Å; L506-N509 PolarHBondContact O-N 3.3Å; L506-A510 VanDerWaalsContact O-CB 3.27Å; L506-A510 WeakPolarHBondContact O-CB 3.22Å; L506-A510 PolarHBondContact O-N 2.91Å |
| 507 | V | 95.1 | Very high | 91.2 | Very high | 5.5 Ų | 5.5 | 57.5 Ų | 57.5 | 3% | 0.033 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.9 | -52.7 | 175.6 | 165.7 | 0 | 0 | 0 | 0 | 111 | F477 L503 G504 N509 A510 L511 V522 I526 F555 | F477-V507 HydrophobicContact CE1-CG2 3.95Å; F477-V507 HydrophobicContact CZ-CG2 4.26Å; L503-V507 HydrophobicContact CD1-CG2 4.03Å; L503-V507 HydrophobicContact CG-CG2 4.27Å; L503-V507 WeakPolarHBondContact O-CB 3.22Å; L503-V507 VanDerWaalsContact O-CG2 3.25Å; L503-V507 WeakPolarHBondContact O-CG2 3.42Å; L503-V507 PolarHBondContact O-N 3.15Å; G504-V507 PolarHBondContact O-N 3.26Å; V507-N509 VanDerWaalsContact C-N 3.28Å; V507-N509 PolarHBondContact O-N 3.32Å; V507-A510 PolarHBondContact O-N 3.19Å; V507-L511 HydrophobicContact CG1-CD1 3.9Å; V507-L511 HydrophobicContact CG1-CG 4.47Å; V507-L511 WeakPolarHBondContact O-CB 3.38Å; V507-L511 VanDerWaalsContact O-CG 3.31Å; V507-L511 WeakPolarHBondContact O-CG 3.43Å; V507-L511 PolarHBondContact O-N 3.02Å; V507-V522 HydrophobicContact CB-CG1 4.32Å; V507-V522 HydrophobicContact CG1-CG1 3.9Å; V507-V522 HydrophobicContact CG2-CG1 4.12Å; V507-I526 HydrophobicContact CB-CD1 4.29Å; V507-I526 HydrophobicContact CG1-CD1 3.54Å; V507-I526 VanDerWaalsContact CG1-CD1 3.49Å; V507-I526 HydrophobicContact CG2-CD1 3.71Å; V507-I526 HydrophobicContact CG2-CG1 4.07Å; V507-F555 HydrophobicContact CG1-CE2 3.7Å; V507-F555 HydrophobicContact CG1-CZ 4.14Å |
| 508 | V | 93.2 | Very high | 91.8 | Very high | 58 Ų | 58 | 51.7 Ų | 51.7 | 35% | 0.352 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.6 | -33.7 | -178.6 | 168 | 0 | 0 | 0 | 0 | 111.8 | G504 Q505 K512 F555 | G504-V508 VanDerWaalsContact O-CB 3.31Å; G504-V508 WeakPolarHBondContact O-CB 3.37Å; G504-V508 VanDerWaalsContact O-CG2 3.28Å; G504-V508 WeakPolarHBondContact O-CG2 3.48Å; G504-V508 PolarHBondContact O-N 3.17Å; Q505-V508 PolarHBondContact O-N 3.13Å; V508-K512 HydrophobicContact CG1-CD 4.4Å; V508-K512 WeakPolarHBondContact O-CD 3.37Å; V508-K512 VanDerWaalsContact O-CE 3.25Å; V508-K512 WeakPolarHBondContact O-CE 3.46Å; V508-K512 VanDerWaalsContact O-CG 3.26Å; V508-K512 WeakPolarHBondContact O-CG 3.39Å; V508-K512 PolarHBondContact O-N 3.45Å; V508-F555 HydrophobicContact CG2-CD2 4.33Å |
| 509 | N | 91.4 | Very high | 92.3 | Very high | 87.5 Ų | 87.5 | 49.8 Ų | 49.8 | 47% | 0.468 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -72.4 | -41.9 | 175.7 | -70.4 | -18.3 | 0 | 0 | 0 | 111.9 | Q505 L506 V507 L511 K512 | Q505-N509 VanDerWaalsContact O-CB 3.31Å; Q505-N509 WeakPolarHBondContact O-CB 3.39Å; Q505-N509 PolarHBondContact O-N 3.24Å; Q505-N509 PolarHBondContact O-ND2 3.02Å; L506-N509 PolarHBondContact O-N 3.3Å; V507-N509 VanDerWaalsContact C-N 3.28Å; V507-N509 PolarHBondContact O-N 3.32Å; N509-L511 PolarHBondContact O-N 3.39Å; N509-K512 WeakPolarHBondContact O-CB 3.37Å; N509-K512 PolarHBondContact O-N 3.37Å; N509-K512 PolarHBondContact OD1-NZ 3.19Å |
| 510 | A | 92.9 | Very high | 92.7 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I473 F477 L506 V507 K512 L513 V518 V522 | I473-A510 HydrophobicContact CG2-CB 4.28Å; F477-A510 HydrophobicContact CE2-CB 3.89Å; F477-A510 HydrophobicContact CZ-CB 4.28Å; L506-A510 VanDerWaalsContact O-CB 3.27Å; L506-A510 WeakPolarHBondContact O-CB 3.22Å; L506-A510 PolarHBondContact O-N 2.91Å; V507-A510 PolarHBondContact O-N 3.19Å; A510-K512 VanDerWaalsContact C-N 3.26Å; A510-K512 PolarHBondContact O-N 3.06Å; A510-L513 VanDerWaalsContact O-CB 3.3Å; A510-L513 WeakPolarHBondContact O-CB 3.45Å; A510-L513 WeakPolarHBondContact O-CG 3.25Å; A510-L513 PolarHBondContact O-N 3.12Å; A510-L513 VanDerWaalsContact O-N 3.09Å; A510-V518 HydrophobicContact CB-CG1 3.82Å; A510-V522 HydrophobicContact CB-CG2 3.6Å |
| 511 | L | 93.8 | Very high | 93.1 | Very high | 3.5 Ų | 3.5 | 44 Ų | 44 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.3 | -23.7 | 176.8 | -66.9 | 175 | 0 | 0 | 0 | 113.5 | V507 N509 L513 R514 T519 V522 F555 L559 I562 | V507-L511 HydrophobicContact CG1-CD1 3.9Å; V507-L511 HydrophobicContact CG1-CG 4.47Å; V507-L511 WeakPolarHBondContact O-CB 3.38Å; V507-L511 VanDerWaalsContact O-CG 3.31Å; V507-L511 WeakPolarHBondContact O-CG 3.43Å; V507-L511 PolarHBondContact O-N 3.02Å; N509-L511 PolarHBondContact O-N 3.39Å; L511-L513 VanDerWaalsContact C-N 3.29Å; L511-L513 PolarHBondContact O-N 3.01Å; L511-R514 PolarHBondContact O-N 3.31Å; L511-T519 HydrophobicContact CD2-CG2 3.75Å; L511-V522 HydrophobicContact CD2-CG1 4.21Å; L511-V522 HydrophobicContact CG-CG1 4.27Å; L511-F555 HydrophobicContact CD1-CE2 3.85Å; L511-L559 HydrophobicContact CD1-CD2 3.92Å; L511-I562 HydrophobicContact CD2-CD1 4.44Å |
| 512 | K | 90.9 | Very high | 93.5 | Very high | 128.5 Ų | 128.5 | 39.6 Ų | 39.6 | 56% | 0.559 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -71.2 | -19.1 | 173.6 | -74.6 | 166.7 | -169.9 | 167.7 | 0 | 113.1 | V508 N509 A510 R514 | V508-K512 HydrophobicContact CG1-CD 4.4Å; V508-K512 WeakPolarHBondContact O-CD 3.37Å; V508-K512 VanDerWaalsContact O-CE 3.25Å; V508-K512 WeakPolarHBondContact O-CE 3.46Å; V508-K512 VanDerWaalsContact O-CG 3.26Å; V508-K512 WeakPolarHBondContact O-CG 3.39Å; V508-K512 PolarHBondContact O-N 3.45Å; N509-K512 WeakPolarHBondContact O-CB 3.37Å; N509-K512 PolarHBondContact O-N 3.37Å; N509-K512 PolarHBondContact OD1-NZ 3.19Å; A510-K512 VanDerWaalsContact C-N 3.26Å; A510-K512 PolarHBondContact O-N 3.06Å; K512-R514 PolarHBondContact O-N 3.12Å |
| 513 | L | 91.1 | Very high | 93.8 | Very high | 82 Ų | 82 | 37.6 Ų | 37.6 | 43% | 0.429 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -14.4 | -179.3 | -57.3 | 172.6 | 0 | 0 | 0 | 112.8 | L470 I473 A510 L511 D515 | L470-L513 HydrophobicContact CD2-CB 4.12Å; L470-L513 HydrophobicContact CD2-CD1 3.62Å; L470-L513 HydrophobicContact CD2-CG 4.37Å; I473-L513 HydrophobicContact CD1-CD1 3.66Å; A510-L513 VanDerWaalsContact O-CB 3.3Å; A510-L513 WeakPolarHBondContact O-CB 3.45Å; A510-L513 WeakPolarHBondContact O-CG 3.25Å; A510-L513 PolarHBondContact O-N 3.12Å; A510-L513 VanDerWaalsContact O-N 3.09Å; L511-L513 VanDerWaalsContact C-N 3.29Å; L511-L513 PolarHBondContact O-N 3.01Å; L513-D515 PolarHBondContact O-N 3.27Å |
| 514 | R | 89.6 | Confident | 94 | Very high | 126.5 Ų | 126.5 | 37.1 Ų | 37.1 | 48% | 0.477 | 19% | 0.19 | S | C | . | . | trans | 57.8 | 28 | 177.2 | -53.4 | -175.6 | 170.8 | -70.5 | -9.2 | 114.5 | L511 K512 T966 | L511-R514 PolarHBondContact O-N 3.31Å; K512-R514 PolarHBondContact O-N 3.12Å; R514-T966 VanDerWaalsContact CZ-OG1 3.29Å; R514-T966 PolarHBondContact NH1-OG1 3.15Å; R514-T966 PolarHBondContact NH2-OG1 3.02Å | ||
| 515 | D | 92.8 | Very high | 94.2 | Very high | 28.5 Ų | 28.5 | 35.9 Ų | 35.9 | 15% | 0.152 | 18% | 0.177 | C | C | . | . | trans | -100.1 | 125.9 | 178.8 | -179.1 | 94.7 | 0 | 0 | 0 | 110.9 | R302 L470 L513 A517 V518 T519 | R302-D515 IonicContact CZ-OD1 2.87Å; R302-D515 IonicContact CZ-OD2 3.69Å; R302-D515 IonicContact NH1-OD1 3.04Å; R302-D515 IonicContact NH2-OD1 3.89Å; R302-D515 PolarHBondContact NH2-OD1 3.1Å; R302-D515 IonicContact NH2-OD2 3.62Å; R302-D515 PolarHBondContact NH2-OD2 3.12Å; L470-D515 HydrophobicContact CD2-CB 4.31Å; L513-D515 PolarHBondContact O-N 3.27Å; D515-A517 VanDerWaalsContact C-N 3.34Å; D515-A517 PolarHBondContact O-N 3.34Å; D515-A517 WeakPolarHBondContact OD2-CB 3.33Å; D515-A517 PolarHBondContact OD2-N 2.85Å; D515-A517 VanDerWaalsContact OD2-N 3.12Å; D515-V518 HydrophobicContact CB-CB 4.24Å; D515-V518 HydrophobicContact CB-CG2 4.4Å; D515-V518 PolarHBondContact O-N 2.94Å; D515-V518 WeakPolarHBondContact OD2-CG2 3.41Å; D515-V518 PolarHBondContact OD2-N 3.33Å; D515-T519 WeakPolarHBondContact O-CB 3.32Å; D515-T519 PolarHBondContact O-N 3.14Å; D515-T519 PolarHBondContact O-OG1 2.92Å | ||
| 516 | D | 93.6 | Very high | 94.4 | Very high | 47.5 Ų | 47.5 | 30.8 Ų | 30.8 | 25% | 0.254 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -62.1 | -37.5 | -175.9 | -64.5 | -23.6 | 0 | 0 | 0 | 113.2 | R300 H520 H566 V575 | R300-D516 IonicContact NH2-OD2 2.84Å; D516-H520 VanDerWaalsContact O-CB 3.27Å; D516-H520 WeakPolarHBondContact O-CB 3.34Å; D516-H520 PolarHBondContact O-N 3.09Å; D516-H566 IonicContact OD1-CE1 3.54Å; D516-H566 PolarHBondContact OD1-CE1 3.2Å; D516-H566 IonicContact OD1-NE2 2.74Å; D516-V575 HydrophobicContact CB-CG2 4.13Å; D516-V575 VanDerWaalsContact O-CG2 3.31Å; D516-V575 WeakPolarHBondContact O-CG2 3.3Å |
| 517 | A | 94.5 | Very high | 94.6 | Very high | 6 Ų | 6 | 29.7 Ų | 29.7 | 5% | 0.05 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -72.8 | -46 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | D515 T519 H520 S521 | D515-A517 VanDerWaalsContact C-N 3.34Å; D515-A517 PolarHBondContact O-N 3.34Å; D515-A517 WeakPolarHBondContact OD2-CB 3.33Å; D515-A517 PolarHBondContact OD2-N 2.85Å; D515-A517 VanDerWaalsContact OD2-N 3.12Å; A517-T519 VanDerWaalsContact C-N 3.32Å; A517-T519 PolarHBondContact O-N 3.03Å; A517-H520 PolarHBondContact O-N 3.44Å; A517-S521 WeakPolarHBondContact O-CB 3.27Å; A517-S521 PolarHBondContact O-N 3.05Å; A517-S521 VanDerWaalsContact O-N 3.07Å; A517-S521 PolarHBondContact O-OG 3.09Å |
| 518 | V | 96.3 | Very high | 94.5 | Very high | 0.5 Ų | 0.5 | 29.6 Ų | 29.6 | 0% | 0.003 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.1 | -45.1 | 172.5 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | L470 I473 E474 A510 D515 H520 S521 V522 | L470-V518 HydrophobicContact CB-CG2 4.2Å; L470-V518 HydrophobicContact CD2-CG2 3.93Å; L470-V518 WeakPolarHBondContact O-CG2 3.24Å; I473-V518 HydrophobicContact CG2-CG1 3.76Å; I473-V518 HydrophobicContact CG2-CG2 4.45Å; E474-V518 HydrophobicContact CB-CG2 4.45Å; A510-V518 HydrophobicContact CB-CG1 3.82Å; D515-V518 HydrophobicContact CB-CB 4.24Å; D515-V518 HydrophobicContact CB-CG2 4.4Å; D515-V518 PolarHBondContact O-N 2.94Å; D515-V518 WeakPolarHBondContact OD2-CG2 3.41Å; D515-V518 PolarHBondContact OD2-N 3.33Å; V518-H520 PolarHBondContact O-N 3.4Å; V518-S521 PolarHBondContact O-N 3.37Å; V518-S521 VanDerWaalsContact O-N 3.16Å; V518-V522 HydrophobicContact CG1-CG2 4.07Å; V518-V522 VanDerWaalsContact O-CB 3.3Å; V518-V522 WeakPolarHBondContact O-CB 3.37Å; V518-V522 WeakPolarHBondContact O-CG2 3.32Å; V518-V522 PolarHBondContact O-N 2.88Å |
| 519 | T | 97.1 | Very high | 94.6 | Very high | 6.5 Ų | 6.5 | 26.9 Ų | 26.9 | 4% | 0.04 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.6 | -45.6 | 178.9 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | L511 D515 A517 S521 V522 L523 V575 | L511-T519 HydrophobicContact CD2-CG2 3.75Å; D515-T519 WeakPolarHBondContact O-CB 3.32Å; D515-T519 PolarHBondContact O-N 3.14Å; D515-T519 PolarHBondContact O-OG1 2.92Å; A517-T519 VanDerWaalsContact C-N 3.32Å; A517-T519 PolarHBondContact O-N 3.03Å; T519-S521 PolarHBondContact O-N 2.93Å; T519-V522 PolarHBondContact O-N 2.82Å; T519-L523 HydrophobicContact CG2-CD1 3.91Å; T519-L523 WeakPolarHBondContact O-CB 3.33Å; T519-L523 WeakPolarHBondContact O-CD1 3.44Å; T519-L523 VanDerWaalsContact O-CG 3.23Å; T519-L523 WeakPolarHBondContact O-CG 3.42Å; T519-L523 PolarHBondContact O-N 3.24Å; T519-V575 HydrophobicContact CG2-CB 4.49Å; T519-V575 HydrophobicContact CG2-CG1 3.71Å; T519-V575 HydrophobicContact CG2-CG2 4.01Å |
| 520 | H | 97.2 | Very high | 94.8 | Very high | 8 Ų | 8 | 22.8 Ų | 22.8 | 4% | 0.037 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59 | -50 | 174.9 | 168.7 | -98.2 | 0 | 0 | 0 | 111.9 | D516 A517 V518 V522 L523 D524 L574 V575 | D516-H520 VanDerWaalsContact O-CB 3.27Å; D516-H520 WeakPolarHBondContact O-CB 3.34Å; D516-H520 PolarHBondContact O-N 3.09Å; A517-H520 PolarHBondContact O-N 3.44Å; V518-H520 PolarHBondContact O-N 3.4Å; H520-V522 VanDerWaalsContact C-N 3.34Å; H520-V522 PolarHBondContact O-N 3.25Å; H520-L523 PolarHBondContact O-N 3.2Å; H520-L523 VanDerWaalsContact O-N 3.12Å; H520-D524 PolarHBondContact O-N 3.23Å; H520-L574 PolarHBondContact CD2-O 3.34Å; H520-V575 HydrophobicContact CB-CG2 4.28Å |
| 521 | S | 96.7 | Very high | 94.7 | Very high | 0.5 Ų | 0.5 | 24.1 Ų | 24.1 | 0% | 0.003 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.1 | -34.1 | -177.3 | -57.2 | 0 | 0 | 0 | 0 | 112.8 | H478 A517 V518 T519 A525 | H478-S521 PolarHBondContact CE1-OG 3.39Å; H478-S521 WeakPolarHBondContact NE2-CB 3.12Å; H478-S521 PolarHBondContact NE2-OG 2.93Å; A517-S521 WeakPolarHBondContact O-CB 3.27Å; A517-S521 PolarHBondContact O-N 3.05Å; A517-S521 VanDerWaalsContact O-N 3.07Å; A517-S521 PolarHBondContact O-OG 3.09Å; V518-S521 PolarHBondContact O-N 3.37Å; V518-S521 VanDerWaalsContact O-N 3.16Å; T519-S521 PolarHBondContact O-N 2.93Å; S521-A525 VanDerWaalsContact O-CB 3.32Å; S521-A525 WeakPolarHBondContact O-CB 3.29Å; S521-A525 PolarHBondContact O-N 3.12Å; S521-A525 VanDerWaalsContact O-N 3.14Å |
| 522 | V | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61 | -48.8 | 170.6 | 168 | 0 | 0 | 0 | 0 | 110.7 | F477 V507 A510 L511 V518 T519 H520 A525 I526 | F477-V522 HydrophobicContact CD1-CB 4.35Å; F477-V522 HydrophobicContact CD1-CG2 3.99Å; F477-V522 HydrophobicContact CD2-CG2 3.6Å; F477-V522 HydrophobicContact CE1-CB 4.37Å; F477-V522 HydrophobicContact CE1-CG1 4.31Å; F477-V522 HydrophobicContact CE1-CG2 3.91Å; F477-V522 HydrophobicContact CE2-CG2 3.53Å; F477-V522 VanDerWaalsContact CE2-CG2 3.48Å; F477-V522 HydrophobicContact CG-CG2 3.85Å; F477-V522 HydrophobicContact CZ-CB 4.48Å; F477-V522 HydrophobicContact CZ-CG1 4.4Å; F477-V522 HydrophobicContact CZ-CG2 3.69Å; V507-V522 HydrophobicContact CB-CG1 4.32Å; V507-V522 HydrophobicContact CG1-CG1 3.9Å; V507-V522 HydrophobicContact CG2-CG1 4.12Å; A510-V522 HydrophobicContact CB-CG2 3.6Å; L511-V522 HydrophobicContact CD2-CG1 4.21Å; L511-V522 HydrophobicContact CG-CG1 4.27Å; V518-V522 HydrophobicContact CG1-CG2 4.07Å; V518-V522 VanDerWaalsContact O-CB 3.3Å; V518-V522 WeakPolarHBondContact O-CB 3.37Å; V518-V522 WeakPolarHBondContact O-CG2 3.32Å; V518-V522 PolarHBondContact O-N 2.88Å; T519-V522 PolarHBondContact O-N 2.82Å; H520-V522 VanDerWaalsContact C-N 3.34Å; H520-V522 PolarHBondContact O-N 3.25Å; V522-A525 PolarHBondContact O-N 3.42Å; V522-I526 HydrophobicContact CG1-CD1 3.77Å; V522-I526 WeakPolarHBondContact O-CD1 3.37Å; V522-I526 VanDerWaalsContact O-CG1 3.29Å; V522-I526 WeakPolarHBondContact O-CG1 3.44Å; V522-I526 PolarHBondContact O-N 3.38Å |
| 523 | L | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.8 | -42.4 | -177.6 | -69.9 | 168.5 | 0 | 0 | 0 | 112.3 | T519 H520 A525 I526 N527 L559 V575 A578 L579 | T519-L523 HydrophobicContact CG2-CD1 3.91Å; T519-L523 WeakPolarHBondContact O-CB 3.33Å; T519-L523 WeakPolarHBondContact O-CD1 3.44Å; T519-L523 VanDerWaalsContact O-CG 3.23Å; T519-L523 WeakPolarHBondContact O-CG 3.42Å; T519-L523 PolarHBondContact O-N 3.24Å; H520-L523 PolarHBondContact O-N 3.2Å; H520-L523 VanDerWaalsContact O-N 3.12Å; L523-A525 VanDerWaalsContact C-N 3.29Å; L523-A525 PolarHBondContact O-N 3.22Å; L523-I526 PolarHBondContact O-N 3.14Å; L523-I526 VanDerWaalsContact O-N 3.1Å; L523-N527 VanDerWaalsContact O-CB 3.29Å; L523-N527 WeakPolarHBondContact O-CB 3.41Å; L523-N527 PolarHBondContact O-N 3.18Å; L523-N527 PolarHBondContact O-ND2 2.87Å; L523-N527 PolarHBondContact O-OD1 3.2Å; L523-L559 HydrophobicContact CD2-CD1 4.42Å; L523-L559 HydrophobicContact CD2-CD2 3.91Å; L523-V575 HydrophobicContact CD1-CG1 4.17Å; L523-A578 HydrophobicContact CB-CB 3.58Å; L523-A578 HydrophobicContact CD1-CB 4.08Å; L523-L579 HydrophobicContact CD1-CD1 4.48Å; L523-L579 HydrophobicContact CD1-CD2 3.63Å; L523-L579 HydrophobicContact CD1-CG 3.65Å; L523-L579 HydrophobicContact CD2-CD2 3.86Å; L523-L579 HydrophobicContact CG-CD2 4.42Å |
| 524 | D | 96 | Very high | 93.8 | Very high | 8 Ų | 8 | 18.4 Ų | 18.4 | 4% | 0.043 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.4 | -35.2 | 176.6 | -162.9 | 43.1 | 0 | 0 | 0 | 111.3 | R337 Y398 R481 H520 T528 | R337-D524 IonicContact NH2-OD1 3.75Å; R337-D524 IonicContact NH2-OD2 3.74Å; R337-D524 PolarHBondContact NH2-OD2 3.46Å; Y398-D524 PolarHBondContact OH-OD2 3.2Å; R481-D524 IonicContact NE-OD2 3.25Å; R481-D524 IonicContact NH1-OD1 3.77Å; R481-D524 PolarHBondContact NH1-OD1 3.12Å; R481-D524 IonicContact NH1-OD2 3.45Å; R481-D524 PolarHBondContact NH1-OD2 3.48Å; H520-D524 PolarHBondContact O-N 3.23Å; D524-T528 PolarHBondContact O-N 3.39Å; D524-T528 PolarHBondContact O-OG1 3.45Å |
| 525 | A | 96.1 | Very high | 93.1 | Very high | 7 Ų | 7 | 19.2 Ų | 19.2 | 6% | 0.058 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.4 | -39.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F477 R481 S521 V522 L523 T528 | F477-A525 HydrophobicContact CB-CB 4.48Å; F477-A525 HydrophobicContact CD1-CB 4.04Å; R481-A525 HydrophobicContact CB-CB 3.95Å; R481-A525 HydrophobicContact CG-CB 4.46Å; S521-A525 VanDerWaalsContact O-CB 3.32Å; S521-A525 WeakPolarHBondContact O-CB 3.29Å; S521-A525 PolarHBondContact O-N 3.12Å; S521-A525 VanDerWaalsContact O-N 3.14Å; V522-A525 PolarHBondContact O-N 3.42Å; L523-A525 VanDerWaalsContact C-N 3.29Å; L523-A525 PolarHBondContact O-N 3.22Å; A525-T528 WeakPolarHBondContact O-CB 3.39Å; A525-T528 PolarHBondContact O-N 2.88Å; A525-T528 PolarHBondContact O-OG1 2.8Å |
| 526 | I | 96.1 | Very high | 92.2 | Very high | 8.5 Ų | 8.5 | 23.9 Ų | 23.9 | 4% | 0.044 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -70.4 | -38 | 176.3 | -65.8 | 163.6 | 0 | 0 | 0 | 110.8 | V507 V522 L523 T528 L529 M530 I549 F555 F582 | V507-I526 HydrophobicContact CB-CD1 4.29Å; V507-I526 HydrophobicContact CG1-CD1 3.54Å; V507-I526 VanDerWaalsContact CG1-CD1 3.49Å; V507-I526 HydrophobicContact CG2-CD1 3.71Å; V507-I526 HydrophobicContact CG2-CG1 4.07Å; V522-I526 HydrophobicContact CG1-CD1 3.77Å; V522-I526 WeakPolarHBondContact O-CD1 3.37Å; V522-I526 VanDerWaalsContact O-CG1 3.29Å; V522-I526 WeakPolarHBondContact O-CG1 3.44Å; V522-I526 PolarHBondContact O-N 3.38Å; L523-I526 PolarHBondContact O-N 3.14Å; L523-I526 VanDerWaalsContact O-N 3.1Å; I526-T528 PolarHBondContact O-N 3.11Å; I526-L529 WeakPolarHBondContact O-CA 3.31Å; I526-L529 WeakPolarHBondContact O-CB 3.41Å; I526-L529 PolarHBondContact O-N 3.1Å; I526-M530 PolarHBondContact O-N 3.14Å; I526-I549 HydrophobicContact CG2-CD1 4.23Å; I526-I549 HydrophobicContact CG2-CG2 3.84Å; I526-F555 HydrophobicContact CD1-CZ 4.24Å; I526-F582 HydrophobicContact CG2-CD2 4.09Å; I526-F582 HydrophobicContact CG2-CE2 3.81Å |
| 527 | N | 96.3 | Very high | 91.5 | Very high | 6 Ų | 6 | 23.1 Ų | 23.1 | 3% | 0.032 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.7 | -33.5 | 177.6 | -75.8 | -13 | 0 | 0 | 0 | 112.1 | L523 L529 M530 H531 A578 D581 F582 Y585 | L523-N527 VanDerWaalsContact O-CB 3.29Å; L523-N527 WeakPolarHBondContact O-CB 3.41Å; L523-N527 PolarHBondContact O-N 3.18Å; L523-N527 PolarHBondContact O-ND2 2.87Å; L523-N527 PolarHBondContact O-OD1 3.2Å; N527-L529 VanDerWaalsContact C-N 3.27Å; N527-L529 PolarHBondContact O-N 3.02Å; N527-M530 WeakPolarHBondContact O-CB 3.35Å; N527-M530 PolarHBondContact O-N 2.97Å; N527-M530 VanDerWaalsContact O-N 3.08Å; N527-H531 PolarHBondContact O-N 3.17Å; N527-A578 PolarHBondContact ND2-O 3.19Å; N527-D581 WeakPolarHBondContact ND2-CB 3.27Å; N527-F582 VanDerWaalsContact OD1-CA 3.28Å; N527-F582 WeakPolarHBondContact OD1-CA 3.35Å; N527-F582 VanDerWaalsContact OD1-CB 3.24Å; N527-F582 WeakPolarHBondContact OD1-CB 3.4Å; N527-F582 PolarHBondContact OD1-N 3.23Å; N527-Y585 HydrophobicContact CB-CD2 4.36Å; N527-Y585 HydrophobicContact CB-CE2 4.04Å |
| 528 | T | 94.5 | Very high | 90.9 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.018 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.7 | -16.6 | 174.2 | 2 | 0 | 0 | 0 | 0 | 114 | R481 V484 A485 F490 D524 A525 I526 H531 M533 | R481-T528 HydrophobicContact CG-CG2 3.94Å; V484-T528 VanDerWaalsContact CG1-OG1 3.29Å; V484-T528 WeakPolarHBondContact CG1-OG1 3.39Å; V484-T528 HydrophobicContact CG2-CG2 3.69Å; A485-T528 HydrophobicContact CB-CG2 3.94Å; F490-T528 VanDerWaalsContact CD2-O 3.27Å; F490-T528 WeakPolarHBondContact CD2-O 3.39Å; F490-T528 VanDerWaalsContact CE2-O 3.29Å; F490-T528 WeakPolarHBondContact CE2-O 3.24Å; D524-T528 PolarHBondContact O-N 3.39Å; D524-T528 PolarHBondContact O-OG1 3.45Å; A525-T528 WeakPolarHBondContact O-CB 3.39Å; A525-T528 PolarHBondContact O-N 2.88Å; A525-T528 PolarHBondContact O-OG1 2.8Å; I526-T528 PolarHBondContact O-N 3.11Å; T528-H531 VanDerWaalsContact O-O 3.12Å; T528-M533 HydrophobicContact CG2-CB 4.39Å; T528-M533 HydrophobicContact CG2-CG 3.64Å; T528-M533 HydrophobicContact CG2-SD 4.21Å |
| 529 | L | 94.9 | Very high | 90.5 | Very high | 2.5 Ų | 2.5 | 24.9 Ų | 24.9 | 1% | 0.013 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -85.4 | -26.3 | 167.7 | -67.9 | 169.7 | 0 | 0 | 0 | 112.3 | V484 F490 F493 L503 I526 N527 N545 I549 | V484-L529 HydrophobicContact CB-CD2 4.1Å; V484-L529 HydrophobicContact CB-CG 4.24Å; V484-L529 HydrophobicContact CG1-CD2 3.66Å; V484-L529 VanDerWaalsContact CG1-CD2 3.5Å; V484-L529 HydrophobicContact CG1-CG 4.03Å; V484-L529 HydrophobicContact CG2-CD2 4.2Å; V484-L529 HydrophobicContact CG2-CG 4.36Å; F490-L529 VanDerWaalsContact CE2-O 3.24Å; F490-L529 WeakPolarHBondContact CE2-O 3.38Å; F493-L529 HydrophobicContact CB-CD2 3.69Å; F493-L529 HydrophobicContact CD1-CD1 4.2Å; F493-L529 HydrophobicContact CD1-CD2 4.16Å; F493-L529 HydrophobicContact CD2-CD1 3.85Å; F493-L529 HydrophobicContact CD2-CD2 4.28Å; F493-L529 HydrophobicContact CE1-CD1 4.27Å; F493-L529 HydrophobicContact CE2-CD1 3.96Å; F493-L529 HydrophobicContact CG-CD1 3.98Å; F493-L529 HydrophobicContact CG-CD2 3.85Å; F493-L529 HydrophobicContact CG-CG 4.46Å; F493-L529 HydrophobicContact CZ-CD1 4.17Å; L503-L529 HydrophobicContact CD2-CD1 3.75Å; I526-L529 WeakPolarHBondContact O-CA 3.31Å; I526-L529 WeakPolarHBondContact O-CB 3.41Å; I526-L529 PolarHBondContact O-N 3.1Å; N527-L529 VanDerWaalsContact C-N 3.27Å; N527-L529 PolarHBondContact O-N 3.02Å; L529-N545 WeakPolarHBondContact O-CB 3.4Å; L529-N545 PolarHBondContact O-ND2 3.25Å; L529-I549 HydrophobicContact CB-CD1 3.46Å; L529-I549 VanDerWaalsContact CB-CD1 3.46Å; L529-I549 HydrophobicContact CD1-CD1 4.15Å; L529-I549 HydrophobicContact CG-CD1 4.34Å |
| 530 | M | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -78.9 | -30.4 | 177.9 | -64.1 | -72.6 | -71.1 | 0 | 0 | 112.4 | I526 N527 K546 I549 M550 F582 Y585 | I526-M530 PolarHBondContact O-N 3.14Å; N527-M530 WeakPolarHBondContact O-CB 3.35Å; N527-M530 PolarHBondContact O-N 2.97Å; N527-M530 VanDerWaalsContact O-N 3.08Å; M530-K546 HydrophobicContact CE-CB 4.27Å; M530-K546 HydrophobicContact CE-CD 4.23Å; M530-K546 HydrophobicContact CE-CG 3.92Å; M530-K546 WeakPolarHBondContact O-CE 3.33Å; M530-K546 HydrophobicContact SD-CB 4.28Å; M530-K546 HydrophobicContact SD-CG 3.84Å; M530-I549 HydrophobicContact CG-CD1 4.03Å; M530-I549 HydrophobicContact CG-CG2 4.47Å; M530-I549 HydrophobicContact SD-CB 3.87Å; M530-I549 HydrophobicContact SD-CD1 3.76Å; M530-I549 HydrophobicContact SD-CG1 4.34Å; M530-I549 HydrophobicContact SD-CG2 3.75Å; M530-M550 HydrophobicContact CE-CG 4.12Å; M530-M550 HydrophobicContact CE-SD 3.85Å; M530-F582 HydrophobicContact CE-CE2 4.28Å; M530-F582 HydrophobicContact CE-CZ 4.44Å; M530-F582 HydrophobicContact CG-CD2 4.37Å; M530-F582 HydrophobicContact CG-CE2 4.32Å; M530-F582 HydrophobicContact SD-CE2 4.24Å; M530-Y585 HydrophobicContact CB-CD2 4.1Å; M530-Y585 HydrophobicContact CB-CG 4.35Å |
| 531 | H | 91.8 | Very high | 89.8 | Confident | 33.5 Ų | 33.5 | 26.4 Ų | 26.4 | 16% | 0.155 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -138.1 | 119.2 | 178.9 | 179.7 | 52.4 | 0 | 0 | 0 | 110.2 | N527 T528 M533 Y585 Y591 R729 | N527-H531 PolarHBondContact O-N 3.17Å; T528-H531 VanDerWaalsContact O-O 3.12Å; H531-M533 HydrophobicContact CB-CE 4.43Å; H531-M533 WeakPolarHBondContact CD2-CE 3.37Å; H531-M533 VanDerWaalsContact O-CE 3.32Å; H531-M533 WeakPolarHBondContact O-CE 3.39Å; H531-Y585 HydrophobicContact CB-CD1 3.81Å; H531-Y585 HydrophobicContact CB-CD2 4.13Å; H531-Y585 HydrophobicContact CB-CE1 3.72Å; H531-Y585 HydrophobicContact CB-CE2 4.05Å; H531-Y585 HydrophobicContact CB-CG 4.03Å; H531-Y585 AromaticContact CD2-CE1 3.79Å; H531-Y585 AromaticContact CD2-CZ 3.74Å; H531-Y585 AromaticContact CG-CE1 3.81Å; H531-Y591 AromaticContact CE1-CE1 3.81Å; H531-Y591 AromaticContact ND1-CE1 3.88Å; H531-R729 PolarHBondContact ND1-NH1 2.96Å |
| 532 | P | 89.2 | Confident | 89.7 | Confident | 9 Ų | 9 | 26.4 Ų | 26.4 | 6% | 0.058 | 13% | 0.134 | C | C | . | . | trans | -67.8 | 137.2 | -174.4 | 25.2 | -33.1 | 0 | 0 | 0 | 112.5 | F490 P537 E542 | F490-P532 HydrophobicContact CD1-CB 4.4Å; F490-P532 HydrophobicContact CD2-CB 4.28Å; F490-P532 HydrophobicContact CE1-CB 4.11Å; F490-P532 HydrophobicContact CE1-CG 4.5Å; F490-P532 HydrophobicContact CE2-CB 3.89Å; F490-P532 HydrophobicContact CZ-CB 3.8Å; F490-P532 HydrophobicContact CZ-CG 4.19Å; P532-P537 HydrophobicContact CB-CB 4.12Å; P532-P537 HydrophobicContact CG-CB 3.46Å; P532-P537 HydrophobicContact CG-CG 4.33Å; P532-E542 WeakPolarHBondContact CD-OE2 3.31Å | ||
| 533 | M | 85.4 | Confident | 89.4 | Confident | 54.5 Ų | 54.5 | 28 Ų | 28 | 27% | 0.268 | 14% | 0.141 | S | C | . | . | trans | -99.1 | 10.8 | -176.7 | -65.4 | -71.1 | 99.6 | 0 | 0 | 114.3 | R481 A485 T528 H531 | R481-M533 PolarHBondContact NH2-SD 3.18Å; A485-M533 HydrophobicContact CB-CB 3.9Å; A485-M533 HydrophobicContact CB-CG 4.2Å; T528-M533 HydrophobicContact CG2-CB 4.39Å; T528-M533 HydrophobicContact CG2-CG 3.64Å; T528-M533 HydrophobicContact CG2-SD 4.21Å; H531-M533 HydrophobicContact CB-CE 4.43Å; H531-M533 WeakPolarHBondContact CD2-CE 3.37Å; H531-M533 VanDerWaalsContact O-CE 3.32Å; H531-M533 WeakPolarHBondContact O-CE 3.39Å | ||
| 534 | H | 82.3 | Confident | 89.1 | Confident | 30 Ų | 30 | 31 Ų | 31 | 14% | 0.139 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -123.6 | 156.9 | -174.2 | 55.8 | -17.3 | 0 | 0 | 0 | 112 | A485 K487 F490 Q536 | A485-H534 PolarHBondContact O-CD2 3.37Å; A485-H534 PolarHBondContact O-ND1 3.12Å; K487-H534 VanDerWaalsContact CA-CD2 3.43Å; K487-H534 WeakPolarHBondContact CA-CD2 3.47Å; K487-H534 PolarHBondContact N-CD2 2.8Å; F490-H534 AromaticContact CD1-CE1 3.91Å; F490-H534 AromaticContact CD1-NE2 3.94Å; F490-H534 AromaticContact CG-CE1 3.71Å; F490-H534 AromaticContact CG-NE2 3.89Å; H534-Q536 PolarHBondContact CE1-O 3.34Å; H534-Q536 PolarHBondContact ND1-O 2.94Å; H534-Q536 VanDerWaalsContact ND1-O 3.13Å; H534-Q536 PolarHBondContact O-N 3.23Å |
| 535 | D | 74.5 | Confident | 89.1 | Confident | 143.5 Ų | 143.5 | 30.6 Ų | 30.6 | 77% | 0.767 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -69.4 | 70.2 | -173.3 | -52.9 | -44.6 | 0 | 0 | 0 | 113.7 | P537 | D535-P537 WeakPolarHBondContact O-CD 3.35Š|
| 536 | Q | 74.4 | Confident | 89 | Confident | 127 Ų | 127 | 30.3 Ų | 30.3 | 59% | 0.593 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -27.7 | 68.1 | 176.1 | -61.2 | -177.8 | -12.7 | 0 | 0 | 112 | H534 D538 | H534-Q536 PolarHBondContact CE1-O 3.34Å; H534-Q536 PolarHBondContact ND1-O 2.94Å; H534-Q536 VanDerWaalsContact ND1-O 3.13Å; H534-Q536 PolarHBondContact O-N 3.23Å; Q536-D538 PolarHBondContact O-N 3.14Å |
| 537 | P | 77.7 | Confident | 88.9 | Confident | 32 Ų | 32 | 31 Ų | 31 | 21% | 0.208 | 16% | 0.159 | C | C | . | . | trans | -65.7 | 123.8 | -179.7 | 28.4 | -35.3 | 0 | 0 | 0 | 111.1 | P532 D535 I539 L734 | P532-P537 HydrophobicContact CB-CB 4.12Å; P532-P537 HydrophobicContact CG-CB 3.46Å; P532-P537 HydrophobicContact CG-CG 4.33Å; D535-P537 WeakPolarHBondContact O-CD 3.35Å; P537-I539 PolarHBondContact O-N 3.46Å; P537-L734 HydrophobicContact CG-CD1 4.39Å; P537-L734 HydrophobicContact CG-CD2 4.11Å | ||
| 538 | D | 83.5 | Confident | 88.8 | Confident | 41.5 Ų | 41.5 | 31.9 Ų | 31.9 | 22% | 0.222 | 17% | 0.166 | C | C | . | . | trans | -81.7 | 104 | 169.7 | -176.3 | -19.1 | 0 | 0 | 0 | 109.1 | Q536 R540 Q541 E542 H738 | Q536-D538 PolarHBondContact O-N 3.14Å; D538-R540 VanDerWaalsContact C-N 3.26Å; D538-R540 PolarHBondContact O-N 2.87Å; D538-R540 WeakPolarHBondContact OD1-CA 3.24Å; D538-R540 VanDerWaalsContact OD1-CB 3.25Å; D538-R540 WeakPolarHBondContact OD1-CB 3.41Å; D538-R540 PolarHBondContact OD1-N 3.05Å; D538-Q541 HydrophobicContact CB-CB 3.85Å; D538-Q541 WeakPolarHBondContact O-CB 3.29Å; D538-Q541 PolarHBondContact O-N 2.98Å; D538-Q541 VanDerWaalsContact O-N 3.12Å; D538-Q541 PolarHBondContact OD1-N 2.9Å; D538-E542 PolarHBondContact O-N 3.01Å; D538-H738 IonicContact OD1-CD2 3.7Å; D538-H738 PolarHBondContact OD1-CD2 3.36Å; D538-H738 IonicContact OD1-NE2 3.63Å; D538-H738 PolarHBondContact OD1-NE2 2.72Å | ||
| 539 | I | 88.2 | Confident | 88.8 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.2 | -28.3 | -178.4 | -166.7 | 162 | 0 | 0 | 0 | 112.6 | P537 E542 Q543 T594 N731 L734 A735 H738 V790 L792 | P537-I539 PolarHBondContact O-N 3.46Å; I539-E542 WeakPolarHBondContact O-CB 3.39Å; I539-E542 PolarHBondContact O-N 3.13Å; I539-Q543 WeakPolarHBondContact O-CG 3.28Å; I539-Q543 PolarHBondContact O-N 2.94Å; I539-Q543 VanDerWaalsContact O-N 3.15Å; I539-T594 HydrophobicContact CD1-CG2 3.68Å; I539-T594 HydrophobicContact CG1-CG2 3.48Å; I539-T594 VanDerWaalsContact CG1-CG2 3.45Å; I539-N731 HydrophobicContact CD1-CB 3.82Å; I539-N731 WeakPolarHBondContact CD1-O 3.46Å; I539-L734 HydrophobicContact CB-CB 4.38Å; I539-L734 HydrophobicContact CD1-CB 3.98Å; I539-L734 HydrophobicContact CG2-CB 4.4Å; I539-A735 HydrophobicContact CG2-CB 4.4Å; I539-H738 HydrophobicContact CG2-CB 4.26Å; I539-V790 HydrophobicContact CG1-CG1 4.39Å; I539-V790 HydrophobicContact CG2-CB 4.32Å; I539-V790 HydrophobicContact CG2-CG1 3.9Å; I539-V790 HydrophobicContact CG2-CG2 3.88Å; I539-L792 HydrophobicContact CD1-CD2 3.89Å; I539-L792 HydrophobicContact CG1-CD2 4.41Å |
| 540 | R | 89.1 | Confident | 88.8 | Confident | 41 Ų | 41 | 32.5 Ų | 32.5 | 16% | 0.155 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70 | -41.5 | 175 | -175.8 | 126.3 | -173.3 | 97.3 | 11.4 | 110.3 | D538 E542 Q543 L544 H738 A785 R788 V790 | D538-R540 VanDerWaalsContact C-N 3.26Å; D538-R540 PolarHBondContact O-N 2.87Å; D538-R540 WeakPolarHBondContact OD1-CA 3.24Å; D538-R540 VanDerWaalsContact OD1-CB 3.25Å; D538-R540 WeakPolarHBondContact OD1-CB 3.41Å; D538-R540 PolarHBondContact OD1-N 3.05Å; R540-E542 VanDerWaalsContact C-N 3.31Å; R540-E542 PolarHBondContact O-N 3.39Å; R540-Q543 WeakPolarHBondContact O-CB 3.46Å; R540-Q543 PolarHBondContact O-N 3.17Å; R540-L544 WeakPolarHBondContact O-CG 3.47Å; R540-L544 PolarHBondContact O-N 3.16Å; R540-H738 WeakPolarHBondContact CB-NE2 3.38Å; R540-A785 VanDerWaalsContact CZ-O 3.27Å; R540-A785 PolarHBondContact NE-O 3.33Å; R540-A785 PolarHBondContact NH1-O 3.38Å; R540-A785 VanDerWaalsContact NH2-C 3.28Å; R540-A785 PolarHBondContact NH2-O 3.25Å; R540-R788 PolarHBondContact NH1-O 3.37Å; R540-V790 HydrophobicContact CB-CG2 3.87Å; R540-V790 HydrophobicContact CG-CG2 4.46Å |
| 541 | Q | 90 | Very high | 88.8 | Confident | 5.5 Ų | 5.5 | 36.2 Ų | 36.2 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66 | -37.7 | 174.4 | -173.1 | 58.3 | 47.1 | 0 | 0 | 111.9 | F490 N491 T494 D538 Q543 L544 N545 | F490-Q541 HydrophobicContact CD1-CB 4.35Å; F490-Q541 HydrophobicContact CD1-CG 3.66Å; F490-Q541 HydrophobicContact CE1-CB 4.06Å; F490-Q541 HydrophobicContact CE1-CG 3.71Å; F490-Q541 PolarHBondContact O-NE2 2.82Å; N491-Q541 HydrophobicContact CB-CG 4.38Å; N491-Q541 WeakPolarHBondContact OD1-CG 3.35Å; T494-Q541 PolarHBondContact OG1-NE2 3.17Å; T494-Q541 PolarHBondContact OG1-OE1 3.18Å; D538-Q541 HydrophobicContact CB-CB 3.85Å; D538-Q541 WeakPolarHBondContact O-CB 3.29Å; D538-Q541 PolarHBondContact O-N 2.98Å; D538-Q541 VanDerWaalsContact O-N 3.12Å; D538-Q541 PolarHBondContact OD1-N 2.9Å; Q541-Q543 VanDerWaalsContact C-N 3.33Å; Q541-Q543 PolarHBondContact O-N 2.71Å; Q541-L544 PolarHBondContact O-N 3.16Å; Q541-L544 VanDerWaalsContact O-N 3.16Å; Q541-N545 PolarHBondContact NE2-OD1 3.11Å; Q541-N545 WeakPolarHBondContact O-CB 3.36Å; Q541-N545 VanDerWaalsContact O-CG 3.26Å; Q541-N545 PolarHBondContact O-N 3.17Å; Q541-N545 PolarHBondContact O-OD1 3.36Å |
| 542 | E | 93.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57 | -47.3 | 172.3 | -171.8 | -176 | 125.2 | 0 | 0 | 111.1 | F490 P532 D538 I539 R540 L544 N545 K546 T594 R729 | F490-E542 HydrophobicContact CZ-CB 4.25Å; P532-E542 WeakPolarHBondContact CD-OE2 3.31Å; D538-E542 PolarHBondContact O-N 3.01Å; I539-E542 WeakPolarHBondContact O-CB 3.39Å; I539-E542 PolarHBondContact O-N 3.13Å; R540-E542 VanDerWaalsContact C-N 3.31Å; R540-E542 PolarHBondContact O-N 3.39Å; E542-L544 PolarHBondContact O-N 2.89Å; E542-N545 PolarHBondContact O-N 3Å; E542-K546 HydrophobicContact CG-CD 4.38Å; E542-K546 WeakPolarHBondContact O-CB 3.47Å; E542-K546 WeakPolarHBondContact O-CG 3.41Å; E542-K546 PolarHBondContact O-N 2.8Å; E542-K546 WeakPolarHBondContact OE1-CE 3.41Å; E542-K546 IonicContact OE1-NZ 3.23Å; E542-K546 PolarHBondContact OE1-NZ 2.99Å; E542-K546 VanDerWaalsContact OE1-NZ 3.12Å; E542-T594 WeakPolarHBondContact OE1-CB 3.14Å; E542-T594 PolarHBondContact OE1-OG1 2.92Å; E542-R729 IonicContact OE1-CZ 2.93Å; E542-R729 IonicContact OE1-NH1 3.41Å; E542-R729 PolarHBondContact OE1-NH1 3.46Å; E542-R729 IonicContact OE1-NH2 3.39Å; E542-R729 PolarHBondContact OE1-NH2 2.92Å; E542-R729 IonicContact OE2-CZ 3.34Å; E542-R729 IonicContact OE2-NH1 3.47Å; E542-R729 PolarHBondContact OE2-NH1 3.32Å; E542-R729 IonicContact OE2-NH2 3.02Å; E542-R729 PolarHBondContact OE2-NH2 2.99Å |
| 543 | Q | 93.2 | Very high | 89.2 | Confident | 34 Ų | 34 | 41 Ų | 41 | 16% | 0.159 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.7 | -45.2 | 175.5 | -69.3 | -176.3 | -32.7 | 0 | 0 | 112.4 | I539 R540 Q541 N545 K546 A547 T594 V791 | I539-Q543 WeakPolarHBondContact O-CG 3.28Å; I539-Q543 PolarHBondContact O-N 2.94Å; I539-Q543 VanDerWaalsContact O-N 3.15Å; R540-Q543 WeakPolarHBondContact O-CB 3.46Å; R540-Q543 PolarHBondContact O-N 3.17Å; Q541-Q543 VanDerWaalsContact C-N 3.33Å; Q541-Q543 PolarHBondContact O-N 2.71Å; Q543-N545 PolarHBondContact O-N 3.25Å; Q543-K546 PolarHBondContact O-N 3.17Å; Q543-A547 VanDerWaalsContact O-CB 3.28Å; Q543-A547 WeakPolarHBondContact O-CB 3.42Å; Q543-A547 PolarHBondContact O-N 3.21Å; Q543-T594 HydrophobicContact CG-CG2 4.43Å; Q543-T594 WeakPolarHBondContact CG-O 3.36Å; Q543-V791 PolarHBondContact NE2-O 2.81Å |
| 544 | L | 91.2 | Very high | 89.6 | Confident | 62.5 Ų | 62.5 | 45.3 Ų | 45.3 | 33% | 0.327 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.2 | -36.2 | -179.8 | -68.3 | 174.4 | 0 | 0 | 0 | 112.9 | T494 R540 Q541 E542 S548 | T494-L544 HydrophobicContact CG2-CB 3.9Å; R540-L544 WeakPolarHBondContact O-CG 3.47Å; R540-L544 PolarHBondContact O-N 3.16Å; Q541-L544 PolarHBondContact O-N 3.16Å; Q541-L544 VanDerWaalsContact O-N 3.16Å; E542-L544 PolarHBondContact O-N 2.89Å; L544-S548 WeakPolarHBondContact O-CB 3.33Å; L544-S548 PolarHBondContact O-N 3.19Å; L544-S548 VanDerWaalsContact O-N 3.13Å; L544-S548 PolarHBondContact O-OG 3.1Å |
| 545 | N | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.3 | -50.6 | 175.4 | -73.4 | -1.1 | 0 | 0 | 0 | 110.6 | F490 F493 T494 L529 Q541 E542 Q543 A547 S548 I549 | F490-N545 WeakPolarHBondContact CE1-ND2 3.22Å; F490-N545 VanDerWaalsContact CE2-ND2 3.31Å; F490-N545 WeakPolarHBondContact CE2-ND2 3.35Å; F490-N545 VanDerWaalsContact CZ-ND2 3.3Å; F490-N545 WeakPolarHBondContact CZ-ND2 3.43Å; F490-N545 PolarHBondContact O-ND2 2.81Å; F490-N545 VanDerWaalsContact O-ND2 3.08Å; F490-N545 PolarHBondContact O-OD1 3.17Å; F493-N545 HydrophobicContact CD1-CB 4.2Å; F493-N545 WeakPolarHBondContact CD1-OD1 3.42Å; F493-N545 HydrophobicContact CE1-CB 4.48Å; T494-N545 VanDerWaalsContact CG2-OD1 3.24Å; T494-N545 WeakPolarHBondContact CG2-OD1 3.26Å; L529-N545 WeakPolarHBondContact O-CB 3.4Å; L529-N545 PolarHBondContact O-ND2 3.25Å; Q541-N545 PolarHBondContact NE2-OD1 3.11Å; Q541-N545 WeakPolarHBondContact O-CB 3.36Å; Q541-N545 VanDerWaalsContact O-CG 3.26Å; Q541-N545 PolarHBondContact O-N 3.17Å; Q541-N545 PolarHBondContact O-OD1 3.36Å; E542-N545 PolarHBondContact O-N 3Å; Q543-N545 PolarHBondContact O-N 3.25Å; N545-A547 PolarHBondContact O-N 3.18Å; N545-S548 WeakPolarHBondContact O-CB 3.24Å; N545-S548 PolarHBondContact O-N 2.99Å; N545-S548 VanDerWaalsContact O-N 3.17Å; N545-I549 WeakPolarHBondContact O-CG1 3.36Å; N545-I549 PolarHBondContact O-N 3.2Å |
| 546 | K | 95.9 | Very high | 91.3 | Very high | 0.5 Ų | 0.5 | 38.3 Ų | 38.3 | 0% | 0.002 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.9 | -48.7 | 176.2 | -71.8 | -173.1 | -179.1 | -172.8 | 0 | 111.9 | M530 E542 Q543 S548 I549 M550 Y585 Y591 T594 | M530-K546 HydrophobicContact CE-CB 4.27Å; M530-K546 HydrophobicContact CE-CD 4.23Å; M530-K546 HydrophobicContact CE-CG 3.92Å; M530-K546 WeakPolarHBondContact O-CE 3.33Å; M530-K546 HydrophobicContact SD-CB 4.28Å; M530-K546 HydrophobicContact SD-CG 3.84Å; E542-K546 HydrophobicContact CG-CD 4.38Å; E542-K546 WeakPolarHBondContact O-CB 3.47Å; E542-K546 WeakPolarHBondContact O-CG 3.41Å; E542-K546 PolarHBondContact O-N 2.8Å; E542-K546 WeakPolarHBondContact OE1-CE 3.41Å; E542-K546 IonicContact OE1-NZ 3.23Å; E542-K546 PolarHBondContact OE1-NZ 2.99Å; E542-K546 VanDerWaalsContact OE1-NZ 3.12Å; Q543-K546 PolarHBondContact O-N 3.17Å; K546-S548 VanDerWaalsContact C-N 3.28Å; K546-S548 PolarHBondContact O-N 3.36Å; K546-I549 PolarHBondContact O-N 3Å; K546-I549 VanDerWaalsContact O-N 3.16Å; K546-M550 HydrophobicContact CB-SD 4.44Å; K546-M550 WeakPolarHBondContact O-CB 3.24Å; K546-M550 WeakPolarHBondContact O-CG 3.44Å; K546-M550 PolarHBondContact O-N 2.97Å; K546-Y585 WeakPolarHBondContact CE-O 3.34Å; K546-Y585 PolarHBondContact NZ-O 2.89Å; K546-Y591 PolarHBondContact NZ-O 3.1Å; K546-T594 WeakPolarHBondContact CE-OG1 3.4Å; K546-T594 PolarHBondContact NZ-OG1 2.94Å |
| 547 | A | 94 | Very high | 92.3 | Very high | 23 Ų | 23 | 33 Ų | 33 | 19% | 0.19 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.6 | -39.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q543 N545 S551 L599 | Q543-A547 VanDerWaalsContact O-CB 3.28Å; Q543-A547 WeakPolarHBondContact O-CB 3.42Å; Q543-A547 PolarHBondContact O-N 3.21Å; N545-A547 PolarHBondContact O-N 3.18Å; A547-S551 WeakPolarHBondContact O-CB 3.37Å; A547-S551 PolarHBondContact O-N 3.33Å; A547-L599 HydrophobicContact CB-CD1 4.04Å; A547-L599 WeakPolarHBondContact O-CD1 3.18Å |
| 548 | S | 92.6 | Very high | 93.2 | Very high | 25 Ų | 25 | 33.4 Ų | 33.4 | 18% | 0.175 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.5 | -37.7 | 176.7 | -62.2 | 0 | 0 | 0 | 0 | 113 | R500 L544 N545 K546 S551 | R500-S548 WeakPolarHBondContact CD-OG 3.39Å; R500-S548 PolarHBondContact NH1-OG 3.41Å; L544-S548 WeakPolarHBondContact O-CB 3.33Å; L544-S548 PolarHBondContact O-N 3.19Å; L544-S548 VanDerWaalsContact O-N 3.13Å; L544-S548 PolarHBondContact O-OG 3.1Å; N545-S548 WeakPolarHBondContact O-CB 3.24Å; N545-S548 PolarHBondContact O-N 2.99Å; N545-S548 VanDerWaalsContact O-N 3.17Å; K546-S548 VanDerWaalsContact C-N 3.28Å; K546-S548 PolarHBondContact O-N 3.36Å; S548-S551 PolarHBondContact O-OG 3.14Å |
| 549 | I | 94.8 | Very high | 93.8 | Very high | 16.5 Ų | 16.5 | 31.4 Ų | 31.4 | 9% | 0.085 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -77.5 | -40.1 | -178.1 | -69.6 | 162.9 | 0 | 0 | 0 | 111.6 | F493 I526 L529 M530 N545 K546 S551 F555 F582 | F493-I549 HydrophobicContact CE1-CD1 4.08Å; F493-I549 HydrophobicContact CE1-CG1 3.8Å; F493-I549 HydrophobicContact CZ-CD1 4.41Å; F493-I549 HydrophobicContact CZ-CG1 3.85Å; I526-I549 HydrophobicContact CG2-CD1 4.23Å; I526-I549 HydrophobicContact CG2-CG2 3.84Å; L529-I549 HydrophobicContact CB-CD1 3.46Å; L529-I549 VanDerWaalsContact CB-CD1 3.46Å; L529-I549 HydrophobicContact CD1-CD1 4.15Å; L529-I549 HydrophobicContact CG-CD1 4.34Å; M530-I549 HydrophobicContact CG-CD1 4.03Å; M530-I549 HydrophobicContact CG-CG2 4.47Å; M530-I549 HydrophobicContact SD-CB 3.87Å; M530-I549 HydrophobicContact SD-CD1 3.76Å; M530-I549 HydrophobicContact SD-CG1 4.34Å; M530-I549 HydrophobicContact SD-CG2 3.75Å; N545-I549 WeakPolarHBondContact O-CG1 3.36Å; N545-I549 PolarHBondContact O-N 3.2Å; K546-I549 PolarHBondContact O-N 3Å; K546-I549 VanDerWaalsContact O-N 3.16Å; I549-S551 VanDerWaalsContact C-N 3.35Å; I549-S551 PolarHBondContact O-N 2.97Å; I549-F555 HydrophobicContact CG2-CE1 4.35Å; I549-F582 HydrophobicContact CG2-CE2 3.64Å; I549-F582 HydrophobicContact CG2-CZ 3.92Å |
| 550 | M | 95.6 | Very high | 94.3 | Very high | 1.5 Ų | 1.5 | 31.5 Ų | 31.5 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -83.3 | -2.2 | -178.1 | -63.9 | 174.2 | 59.9 | 0 | 0 | 113.5 | M530 K546 S552 L556 L599 L603 | M530-M550 HydrophobicContact CE-CG 4.12Å; M530-M550 HydrophobicContact CE-SD 3.85Å; K546-M550 HydrophobicContact CB-SD 4.44Å; K546-M550 WeakPolarHBondContact O-CB 3.24Å; K546-M550 WeakPolarHBondContact O-CG 3.44Å; K546-M550 PolarHBondContact O-N 2.97Å; M550-S552 VanDerWaalsContact C-N 3.27Å; M550-S552 PolarHBondContact O-N 3.09Å; M550-S552 VanDerWaalsContact O-N 3.15Å; M550-L556 HydrophobicContact CB-CD1 4.32Å; M550-L556 WeakPolarHBondContact O-CD1 3.4Å; M550-L599 HydrophobicContact CB-CB 4.06Å; M550-L599 HydrophobicContact CB-CD1 4.25Å; M550-L599 HydrophobicContact CE-CB 4.21Å; M550-L599 WeakPolarHBondContact CE-O 3.2Å; M550-L603 HydrophobicContact CE-CB 4Å; M550-L603 HydrophobicContact CE-CD2 3.78Å |
| 551 | S | 93.5 | Very high | 94.6 | Very high | 78 Ų | 78 | 29.9 Ų | 29.9 | 55% | 0.545 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -23.1 | -174.6 | 65.8 | 0 | 0 | 0 | 0 | 115.2 | A547 S548 I549 | A547-S551 WeakPolarHBondContact O-CB 3.37Å; A547-S551 PolarHBondContact O-N 3.33Å; S548-S551 PolarHBondContact O-OG 3.14Å; I549-S551 VanDerWaalsContact C-N 3.35Å; I549-S551 PolarHBondContact O-N 2.97Å |
| 552 | S | 94.5 | Very high | 94.8 | Very high | 51 Ų | 51 | 30.3 Ų | 30.3 | 36% | 0.357 | 17% | 0.171 | S | C | . | . | trans | -105 | 106.4 | -173.9 | 176.9 | 0 | 0 | 0 | 0 | 112 | M550 I554 F555 L556 | M550-S552 VanDerWaalsContact C-N 3.27Å; M550-S552 PolarHBondContact O-N 3.09Å; M550-S552 VanDerWaalsContact O-N 3.15Å; S552-I554 VanDerWaalsContact C-N 3.29Å; S552-I554 PolarHBondContact O-N 3.07Å; S552-F555 WeakPolarHBondContact O-CB 3.38Å; S552-F555 PolarHBondContact O-N 3.24Å; S552-F555 VanDerWaalsContact O-N 3.08Å; S552-F555 PolarHBondContact OG-N 3.31Å; S552-L556 WeakPolarHBondContact O-CG 3.45Å; S552-L556 PolarHBondContact O-N 2.96Å | ||
| 553 | E | 95.1 | Very high | 95 | Very high | 93 Ų | 93 | 30.4 Ų | 30.4 | 44% | 0.435 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.3 | -37.3 | 176.1 | -174.2 | 168.9 | 167.5 | 0 | 0 | 112.5 | F555 L556 A557 N602 R605 L606 | E553-F555 VanDerWaalsContact C-N 3.32Å; E553-F555 PolarHBondContact O-N 3.42Å; E553-L556 PolarHBondContact O-N 3.44Å; E553-A557 VanDerWaalsContact O-CB 3.25Å; E553-A557 WeakPolarHBondContact O-CB 3.27Å; E553-A557 PolarHBondContact O-N 3.31Å; E553-N602 WeakPolarHBondContact CB-ND2 3.32Å; E553-N602 PolarHBondContact OE2-ND2 2.84Å; E553-R605 IonicContact OE1-CZ 3.83Å; E553-R605 IonicContact OE1-NH2 3.24Å; E553-R605 PolarHBondContact OE1-NH2 3.4Å; E553-R605 IonicContact OE2-NH2 3.25Å; E553-R605 PolarHBondContact OE2-NH2 3.06Å; E553-L606 HydrophobicContact CG-CD1 4.33Å |
| 554 | I | 93.9 | Very high | 95.1 | Very high | 144.5 Ų | 144.5 | 28.7 Ų | 28.7 | 74% | 0.741 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -64.9 | -39 | 178.8 | -58.7 | 172.6 | 0 | 0 | 0 | 110.7 | S552 H558 | S552-I554 VanDerWaalsContact C-N 3.29Å; S552-I554 PolarHBondContact O-N 3.07Å; I554-H558 WeakPolarHBondContact O-CB 3.43Å; I554-H558 PolarHBondContact O-N 3.17Å; I554-H558 VanDerWaalsContact O-N 3.14Å |
| 555 | F | 95.5 | Very high | 95.2 | Very high | 25 Ų | 25 | 26.3 Ų | 26.3 | 11% | 0.11 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.9 | -49.2 | 176.6 | 171.1 | -112 | 0 | 0 | 0 | 111.2 | V507 V508 L511 I526 I549 S552 E553 A557 H558 L559 F582 | V507-F555 HydrophobicContact CG1-CE2 3.7Å; V507-F555 HydrophobicContact CG1-CZ 4.14Å; V508-F555 HydrophobicContact CG2-CD2 4.33Å; L511-F555 HydrophobicContact CD1-CE2 3.85Å; I526-F555 HydrophobicContact CD1-CZ 4.24Å; I549-F555 HydrophobicContact CG2-CE1 4.35Å; S552-F555 WeakPolarHBondContact O-CB 3.38Å; S552-F555 PolarHBondContact O-N 3.24Å; S552-F555 VanDerWaalsContact O-N 3.08Å; S552-F555 PolarHBondContact OG-N 3.31Å; E553-F555 VanDerWaalsContact C-N 3.32Å; E553-F555 PolarHBondContact O-N 3.42Å; F555-A557 VanDerWaalsContact C-N 3.34Å; F555-A557 PolarHBondContact O-N 2.82Å; F555-H558 WeakPolarHBondContact O-CB 3.41Å; F555-H558 PolarHBondContact O-N 3.2Å; F555-H558 VanDerWaalsContact O-N 3.13Å; F555-L559 HydrophobicContact CD1-CD1 4.45Å; F555-L559 HydrophobicContact CE1-CD1 3.79Å; F555-L559 HydrophobicContact CE1-CG 4.4Å; F555-L559 HydrophobicContact CE2-CD1 4.24Å; F555-L559 HydrophobicContact CE2-CD2 4.08Å; F555-L559 HydrophobicContact CE2-CG 4.13Å; F555-L559 HydrophobicContact CZ-CD1 3.65Å; F555-L559 HydrophobicContact CZ-CD2 4.23Å; F555-L559 HydrophobicContact CZ-CG 4.06Å; F555-L559 PolarHBondContact O-N 2.89Å; F555-F582 HydrophobicContact CE1-CZ 4.29Å |
| 556 | L | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60 | -43.2 | 177.5 | -65.4 | -178.3 | 0 | 0 | 0 | 112 | M550 S552 E553 H558 L559 V560 F582 L603 L606 | M550-L556 HydrophobicContact CB-CD1 4.32Å; M550-L556 WeakPolarHBondContact O-CD1 3.4Å; S552-L556 WeakPolarHBondContact O-CG 3.45Å; S552-L556 PolarHBondContact O-N 2.96Å; E553-L556 PolarHBondContact O-N 3.44Å; L556-H558 VanDerWaalsContact C-N 3.31Å; L556-H558 PolarHBondContact O-N 3.15Å; L556-L559 PolarHBondContact O-N 2.95Å; L556-V560 WeakPolarHBondContact O-CB 2.89Å; L556-V560 WeakPolarHBondContact O-CG2 3.32Å; L556-V560 PolarHBondContact O-N 3.08Å; L556-F582 HydrophobicContact CD2-CE1 3.76Å; L556-F582 HydrophobicContact CD2-CZ 3.83Å; L556-L603 HydrophobicContact CB-CD1 4.43Å; L556-L603 HydrophobicContact CD1-CB 4.15Å; L556-L603 HydrophobicContact CD1-CD1 4.41Å; L556-L603 HydrophobicContact CD2-CD1 4.27Å; L556-L606 HydrophobicContact CB-CD1 3.66Å |
| 557 | A | 95.9 | Very high | 95 | Very high | 17.5 Ų | 17.5 | 27.4 Ų | 27.4 | 15% | 0.145 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.2 | -40.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E553 F555 V560 D561 L606 | E553-A557 VanDerWaalsContact O-CB 3.25Å; E553-A557 WeakPolarHBondContact O-CB 3.27Å; E553-A557 PolarHBondContact O-N 3.31Å; F555-A557 VanDerWaalsContact C-N 3.34Å; F555-A557 PolarHBondContact O-N 2.82Å; A557-V560 PolarHBondContact O-N 3.1Å; A557-D561 WeakPolarHBondContact O-CB 3.28Å; A557-D561 PolarHBondContact O-N 3Å; A557-L606 HydrophobicContact CB-CD1 4.26Å; A557-L606 HydrophobicContact CB-CD2 4.05Å |
| 558 | H | 95.7 | Very high | 94.8 | Very high | 39 Ų | 39 | 27.5 Ų | 27.5 | 18% | 0.181 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.2 | -40.5 | 175.9 | -173.3 | -132 | 0 | 0 | 0 | 112.4 | I554 F555 L556 V560 D561 I562 T966 | I554-H558 WeakPolarHBondContact O-CB 3.43Å; I554-H558 PolarHBondContact O-N 3.17Å; I554-H558 VanDerWaalsContact O-N 3.14Å; F555-H558 WeakPolarHBondContact O-CB 3.41Å; F555-H558 PolarHBondContact O-N 3.2Å; F555-H558 VanDerWaalsContact O-N 3.13Å; L556-H558 VanDerWaalsContact C-N 3.31Å; L556-H558 PolarHBondContact O-N 3.15Å; H558-V560 VanDerWaalsContact C-N 3.33Å; H558-V560 PolarHBondContact O-N 3.06Å; H558-D561 PolarHBondContact O-N 2.88Å; H558-I562 VanDerWaalsContact O-CG1 3.29Å; H558-I562 WeakPolarHBondContact O-CG1 3.15Å; H558-I562 PolarHBondContact O-N 2.92Å; H558-T966 PolarHBondContact NE2-OG1 2.89Å |
| 559 | L | 97.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.2 | -41.3 | 173.5 | -65.8 | -170.3 | 0 | 0 | 0 | 112 | L511 L523 F555 L556 D561 I562 F563 L579 F582 F583 | L511-L559 HydrophobicContact CD1-CD2 3.92Å; L523-L559 HydrophobicContact CD2-CD1 4.42Å; L523-L559 HydrophobicContact CD2-CD2 3.91Å; F555-L559 HydrophobicContact CD1-CD1 4.45Å; F555-L559 HydrophobicContact CE1-CD1 3.79Å; F555-L559 HydrophobicContact CE1-CG 4.4Å; F555-L559 HydrophobicContact CE2-CD1 4.24Å; F555-L559 HydrophobicContact CE2-CD2 4.08Å; F555-L559 HydrophobicContact CE2-CG 4.13Å; F555-L559 HydrophobicContact CZ-CD1 3.65Å; F555-L559 HydrophobicContact CZ-CD2 4.23Å; F555-L559 HydrophobicContact CZ-CG 4.06Å; F555-L559 PolarHBondContact O-N 2.89Å; L556-L559 PolarHBondContact O-N 2.95Å; L559-D561 VanDerWaalsContact C-N 3.34Å; L559-I562 PolarHBondContact O-N 3.14Å; L559-F563 WeakPolarHBondContact O-CB 3.34Å; L559-F563 PolarHBondContact O-N 3.16Å; L559-L579 HydrophobicContact CB-CD2 4.07Å; L559-L579 HydrophobicContact CD2-CD2 4.13Å; L559-L579 HydrophobicContact CG-CD2 4.5Å; L559-F582 HydrophobicContact CD1-CD1 3.99Å; L559-F582 HydrophobicContact CD1-CD2 4.4Å; L559-F582 HydrophobicContact CD1-CE1 3.71Å; L559-F582 HydrophobicContact CD1-CE2 4.12Å; L559-F582 HydrophobicContact CD1-CG 4.34Å; L559-F582 HydrophobicContact CD1-CZ 3.78Å; L559-F583 HydrophobicContact CB-CE1 4.48Å |
| 560 | V | 97.1 | Very high | 94.3 | Very high | 3.5 Ų | 3.5 | 33.9 Ų | 33.9 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.8 | -35.2 | 177.1 | 167.8 | 0 | 0 | 0 | 0 | 111.8 | L556 A557 H558 F563 T564 F583 L603 L606 L607 R610 | L556-V560 WeakPolarHBondContact O-CB 2.89Å; L556-V560 WeakPolarHBondContact O-CG2 3.32Å; L556-V560 PolarHBondContact O-N 3.08Å; A557-V560 PolarHBondContact O-N 3.1Å; H558-V560 VanDerWaalsContact C-N 3.33Å; H558-V560 PolarHBondContact O-N 3.06Å; V560-F563 WeakPolarHBondContact O-CB 3.41Å; V560-F563 PolarHBondContact O-N 3.4Å; V560-T564 WeakPolarHBondContact O-CB 3.25Å; V560-T564 PolarHBondContact O-N 3.12Å; V560-T564 PolarHBondContact O-OG1 3.17Å; V560-F583 HydrophobicContact CG2-CE1 3.94Å; V560-F583 HydrophobicContact CG2-CZ 3.91Å; V560-L603 HydrophobicContact CG2-CD1 4.37Å; V560-L606 HydrophobicContact CG2-CB 4.23Å; V560-L607 HydrophobicContact CG2-CD2 3.92Å; V560-L607 HydrophobicContact CG2-CG 4.26Å; V560-R610 HydrophobicContact CG1-CB 3.97Å; V560-R610 HydrophobicContact CG1-CG 3.4Å; V560-R610 VanDerWaalsContact CG1-CG 3.4Å |
| 561 | D | 95.7 | Very high | 94 | Very high | 8.5 Ų | 8.5 | 35.9 Ų | 35.9 | 5% | 0.045 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.1 | -41.7 | 172.5 | -73.4 | -34 | 0 | 0 | 0 | 111.8 | A557 H558 L559 T564 L565 R610 T966 R967 | A557-D561 WeakPolarHBondContact O-CB 3.28Å; A557-D561 PolarHBondContact O-N 3Å; H558-D561 PolarHBondContact O-N 2.88Å; L559-D561 VanDerWaalsContact C-N 3.34Å; D561-T564 PolarHBondContact O-N 2.92Å; D561-L565 VanDerWaalsContact O-CB 3.25Å; D561-L565 WeakPolarHBondContact O-CB 3.27Å; D561-L565 PolarHBondContact O-N 3.37Å; D561-R610 IonicContact OD1-CZ 3.43Å; D561-R610 IonicContact OD1-NE 2.88Å; D561-R610 PolarHBondContact OD1-NE 2.97Å; D561-R610 IonicContact OD1-NH2 3.3Å; D561-R610 PolarHBondContact OD1-NH2 3.09Å; D561-T966 HydrophobicContact CB-CG2 3.99Å; D561-R967 VanDerWaalsContact OD2-CB 3.28Å; D561-R967 WeakPolarHBondContact OD2-CB 3.44Å |
| 562 | I | 95.7 | Very high | 93.9 | Very high | 12.5 Ų | 12.5 | 32.4 Ų | 32.4 | 6% | 0.064 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.5 | -46.8 | 173.4 | -66.9 | 166.7 | 0 | 0 | 0 | 110.3 | L511 H558 L559 T564 L565 H566 V575 L579 T966 | L511-I562 HydrophobicContact CD2-CD1 4.44Å; H558-I562 VanDerWaalsContact O-CG1 3.29Å; H558-I562 WeakPolarHBondContact O-CG1 3.15Å; H558-I562 PolarHBondContact O-N 2.92Å; L559-I562 PolarHBondContact O-N 3.14Å; I562-T564 VanDerWaalsContact C-N 3.33Å; I562-T564 PolarHBondContact O-N 2.99Å; I562-L565 WeakPolarHBondContact O-CB 3.35Å; I562-L565 PolarHBondContact O-N 3Å; I562-H566 PolarHBondContact O-CD2 2.93Å; I562-H566 VanDerWaalsContact O-CD2 3.27Å; I562-H566 PolarHBondContact O-N 3.34Å; I562-V575 HydrophobicContact CG2-CG1 4.06Å; I562-L579 HydrophobicContact CB-CD1 4.38Å; I562-L579 HydrophobicContact CG2-CD1 3.85Å; I562-T966 HydrophobicContact CG1-CG2 4.04Å |
| 563 | F | 97.2 | Very high | 94 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.009 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -54.2 | -51.7 | 175.4 | 165.7 | -101.2 | 0 | 0 | 0 | 111.4 | L559 V560 L565 H566 A567 L576 L579 L580 F583 A613 L614 L617 | L559-F563 WeakPolarHBondContact O-CB 3.34Å; L559-F563 PolarHBondContact O-N 3.16Å; V560-F563 WeakPolarHBondContact O-CB 3.41Å; V560-F563 PolarHBondContact O-N 3.4Å; F563-L565 VanDerWaalsContact C-N 3.31Å; F563-L565 PolarHBondContact O-N 3.34Å; F563-H566 PolarHBondContact O-N 3.06Å; F563-A567 HydrophobicContact CE2-CB 4.42Å; F563-A567 HydrophobicContact CZ-CB 4.3Å; F563-A567 WeakPolarHBondContact O-CB 3.21Å; F563-A567 PolarHBondContact O-N 3.45Å; F563-L576 HydrophobicContact CD2-CD2 3.78Å; F563-L576 HydrophobicContact CE2-CD2 4.1Å; F563-L579 HydrophobicContact CB-CD1 3.87Å; F563-L579 HydrophobicContact CD2-CB 4.49Å; F563-L580 HydrophobicContact CE2-CD2 3.8Å; F563-L580 HydrophobicContact CE2-CG 4.41Å; F563-F583 HydrophobicContact CB-CE2 3.79Å; F563-F583 HydrophobicContact CB-CZ 4.06Å; F563-F583 HydrophobicContact CD1-CE2 4.31Å; F563-F583 HydrophobicContact CD2-CD2 4.46Å; F563-F583 AromaticContact CD2-CE2 3.8Å; F563-F583 HydrophobicContact CD2-CE2 3.8Å; F563-F583 HydrophobicContact CE2-CE2 4.49Å; F563-F583 AromaticContact CG-CE2 3.69Å; F563-F583 HydrophobicContact CG-CE2 3.69Å; F563-F583 HydrophobicContact CG-CZ 4.39Å; F563-A613 HydrophobicContact CE1-CB 4.19Å; F563-L614 HydrophobicContact CE1-CD2 4.26Å; F563-L614 HydrophobicContact CE1-CG 4.41Å; F563-L614 HydrophobicContact CZ-CD2 3.66Å; F563-L614 HydrophobicContact CZ-CG 4.25Å; F563-L617 HydrophobicContact CE2-CD1 3.78Å; F563-L617 HydrophobicContact CZ-CD1 3.79Å |
| 564 | T | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.3 | -43.5 | -179.2 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | V560 D561 I562 H566 A567 L568 R610 A613 A970 I974 | V560-T564 WeakPolarHBondContact O-CB 3.25Å; V560-T564 PolarHBondContact O-N 3.12Å; V560-T564 PolarHBondContact O-OG1 3.17Å; D561-T564 PolarHBondContact O-N 2.92Å; I562-T564 VanDerWaalsContact C-N 3.33Å; I562-T564 PolarHBondContact O-N 2.99Å; T564-H566 PolarHBondContact O-N 2.86Å; T564-A567 PolarHBondContact O-N 2.93Å; T564-L568 HydrophobicContact CG2-CD1 3.72Å; T564-L568 HydrophobicContact CG2-CG 4.27Å; T564-L568 WeakPolarHBondContact O-CB 3.41Å; T564-L568 VanDerWaalsContact O-CG 3.29Å; T564-L568 WeakPolarHBondContact O-CG 3.49Å; T564-L568 PolarHBondContact O-N 3.18Å; T564-R610 WeakPolarHBondContact OG1-CB 3.15Å; T564-R610 WeakPolarHBondContact OG1-CG 3.26Å; T564-A613 HydrophobicContact CG2-CB 4.07Å; T564-A970 HydrophobicContact CG2-CB 4.03Å; T564-I974 HydrophobicContact CG2-CD1 3.94Å; T564-I974 HydrophobicContact CG2-CG1 3.93Å |
| 565 | L | 92.9 | Very high | 94.2 | Very high | 12 Ų | 12 | 19.2 Ų | 19.2 | 6% | 0.063 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.7 | -47.5 | 178.4 | -175.7 | 68.4 | 0 | 0 | 0 | 112.3 | D561 I562 F563 R569 T966 Q969 L973 | D561-L565 VanDerWaalsContact O-CB 3.25Å; D561-L565 WeakPolarHBondContact O-CB 3.27Å; D561-L565 PolarHBondContact O-N 3.37Å; I562-L565 WeakPolarHBondContact O-CB 3.35Å; I562-L565 PolarHBondContact O-N 3Å; F563-L565 VanDerWaalsContact C-N 3.31Å; F563-L565 PolarHBondContact O-N 3.34Å; L565-R569 VanDerWaalsContact CD1-NH2 3.28Å; L565-R569 WeakPolarHBondContact O-CB 3.28Å; L565-R569 WeakPolarHBondContact O-CD 3.35Å; L565-R569 VanDerWaalsContact O-CG 3.27Å; L565-R569 WeakPolarHBondContact O-CG 3.44Å; L565-R569 PolarHBondContact O-N 3.42Å; L565-R569 VanDerWaalsContact O-N 3.17Å; L565-T966 HydrophobicContact CD2-CG2 4.05Å; L565-Q969 HydrophobicContact CD1-CB 4Å; L565-Q969 HydrophobicContact CD1-CG 3.61Å; L565-L973 HydrophobicContact CD1-CD1 3.66Å |
| 566 | H | 93.8 | Very high | 94.3 | Very high | 16.5 Ų | 16.5 | 18 Ų | 18 | 8% | 0.076 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -74 | -40.6 | 179.7 | -76.7 | -67.8 | 0 | 0 | 0 | 112.7 | D516 I562 F563 T564 L568 R569 G570 S571 L576 | D516-H566 IonicContact OD1-CE1 3.54Å; D516-H566 PolarHBondContact OD1-CE1 3.2Å; D516-H566 IonicContact OD1-NE2 2.74Å; I562-H566 PolarHBondContact O-CD2 2.93Å; I562-H566 VanDerWaalsContact O-CD2 3.27Å; I562-H566 PolarHBondContact O-N 3.34Å; F563-H566 PolarHBondContact O-N 3.06Å; T564-H566 PolarHBondContact O-N 2.86Å; H566-L568 PolarHBondContact O-N 2.77Å; H566-R569 PolarHBondContact O-N 3.33Å; H566-G570 PolarHBondContact O-N 2.89Å; H566-S571 WeakPolarHBondContact CB-O 3.36Å; H566-S571 PolarHBondContact ND1-O 3.06Å; H566-S571 PolarHBondContact ND1-OG 2.85Å; H566-S571 PolarHBondContact O-N 3Å; H566-L576 HydrophobicContact CB-CD1 4.16Å; H566-L576 HydrophobicContact CB-CD2 3.72Å; H566-L576 HydrophobicContact CB-CG 3.78Å |
| 567 | A | 93.2 | Very high | 94.2 | Very high | 6.5 Ų | 6.5 | 18.8 Ų | 18.8 | 5% | 0.054 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.2 | -41 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F563 T564 L576 A613 R616 L617 | F563-A567 HydrophobicContact CE2-CB 4.42Å; F563-A567 HydrophobicContact CZ-CB 4.3Å; F563-A567 WeakPolarHBondContact O-CB 3.21Å; F563-A567 PolarHBondContact O-N 3.45Å; T564-A567 PolarHBondContact O-N 2.93Å; A567-L576 HydrophobicContact CB-CD2 4.16Å; A567-A613 HydrophobicContact CB-CB 4.37Å; A567-R616 WeakPolarHBondContact O-CB 3.5Å; A567-L617 HydrophobicContact CB-CD2 3.76Å; A567-L617 HydrophobicContact CB-CG 4.46Å |
| 568 | L | 89.9 | Confident | 94.3 | Very high | 26 Ų | 26 | 18.1 Ų | 18.1 | 14% | 0.136 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -77.5 | -29.1 | 179.3 | -63.9 | -179 | 0 | 0 | 0 | 113 | T564 H566 A613 R616 L973 I974 A977 | T564-L568 HydrophobicContact CG2-CD1 3.72Å; T564-L568 HydrophobicContact CG2-CG 4.27Å; T564-L568 WeakPolarHBondContact O-CB 3.41Å; T564-L568 VanDerWaalsContact O-CG 3.29Å; T564-L568 WeakPolarHBondContact O-CG 3.49Å; T564-L568 PolarHBondContact O-N 3.18Å; H566-L568 PolarHBondContact O-N 2.77Å; L568-A613 HydrophobicContact CD2-CB 4.09Å; L568-A613 HydrophobicContact CG-CB 4.23Å; L568-R616 HydrophobicContact CD2-CG 3.68Å; L568-L973 HydrophobicContact CB-CB 4.03Å; L568-L973 HydrophobicContact CB-CD1 4.29Å; L568-L973 HydrophobicContact CD1-CB 3.61Å; L568-L973 HydrophobicContact CG-CB 4.43Å; L568-I974 HydrophobicContact CD1-CB 4.45Å; L568-I974 HydrophobicContact CD1-CG1 3.71Å; L568-A977 HydrophobicContact CD2-CB 4.03Å |
| 569 | R | 87.6 | Confident | 94.4 | Very high | 121.5 Ų | 121.5 | 16.2 Ų | 16.2 | 46% | 0.458 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -79.6 | -22.8 | 174.4 | -77.3 | 175.5 | 163.9 | 165.1 | -97.2 | 114.2 | L565 H566 S571 L973 | L565-R569 VanDerWaalsContact CD1-NH2 3.28Å; L565-R569 WeakPolarHBondContact O-CB 3.28Å; L565-R569 WeakPolarHBondContact O-CD 3.35Å; L565-R569 VanDerWaalsContact O-CG 3.27Å; L565-R569 WeakPolarHBondContact O-CG 3.44Å; L565-R569 PolarHBondContact O-N 3.42Å; L565-R569 VanDerWaalsContact O-N 3.17Å; H566-R569 PolarHBondContact O-N 3.33Å; R569-S571 VanDerWaalsContact C-N 3.33Å; R569-L973 HydrophobicContact CG-CD1 3.92Å |
| 570 | G | 87.3 | Confident | 94.5 | Very high | 53.5 Ų | 53.5 | 16.4 Ų | 16.4 | 55% | 0.552 | 10% | 0.098 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 32.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113 | H566 | H566-G570 PolarHBondContact O-N 2.89Š|
| 571 | S | 90.2 | Very high | 94.4 | Very high | 43 Ų | 43 | 18.3 Ų | 18.3 | 30% | 0.301 | 11% | 0.108 | S | C | . | . | trans | -118.8 | 169.9 | -178.6 | 75.5 | 0 | 0 | 0 | 0 | 112.3 | H566 R569 S573 | H566-S571 WeakPolarHBondContact CB-O 3.36Å; H566-S571 PolarHBondContact ND1-O 3.06Å; H566-S571 PolarHBondContact ND1-OG 2.85Å; H566-S571 PolarHBondContact O-N 3Å; R569-S571 VanDerWaalsContact C-N 3.33Å; S571-S573 PolarHBondContact O-N 3.38Å | ||
| 572 | G | 91.2 | Very high | 94.5 | Very high | 5 Ų | 5 | 17.9 Ų | 17.9 | 5% | 0.052 | 11% | 0.106 | C | C | . | . | trans | 59.8 | 41.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L574 V575 L576 | G572-L574 PolarHBondContact O-N 3.28Å; G572-L574 VanDerWaalsContact O-N 3.12Å; G572-V575 CarbonylContact O-C 3.51Å; G572-V575 WeakPolarHBondContact O-CA 3.25Å; G572-V575 WeakPolarHBondContact O-CB 3.33Å; G572-V575 PolarHBondContact O-N 3.23Å; G572-L576 PolarHBondContact O-N 3.04Å | ||
| 573 | S | 96 | Very high | 94.6 | Very high | 5 Ų | 5 | 17.3 Ų | 17.3 | 4% | 0.035 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -54.3 | -33.2 | -174.2 | -49.8 | 0 | 0 | 0 | 0 | 113.8 | A327 S571 L576 C577 H620 I625 | A327-S573 PolarHBondContact N-OG 2.86Å; S571-S573 PolarHBondContact O-N 3.38Å; S573-L576 PolarHBondContact O-N 2.99Å; S573-C577 PolarHBondContact O-N 2.86Å; S573-C577 PolarHBondContact O-SG 3.22Å; S573-H620 PolarHBondContact OG-CE1 2.94Å; S573-H620 PolarHBondContact OG-NE2 2.98Å; S573-I625 WeakPolarHBondContact O-CD1 3.47Å |
| 574 | L | 96.2 | Very high | 94.5 | Very high | 5.5 Ų | 5.5 | 17.7 Ų | 17.7 | 3% | 0.029 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.1 | -43.4 | 173.4 | -71.6 | 169.5 | 0 | 0 | 0 | 112.3 | L329 A330 L333 V346 H520 G572 L576 C577 A578 | L329-L574 HydrophobicContact CB-CD1 4.27Å; L329-L574 HydrophobicContact CB-CD2 4.24Å; L329-L574 HydrophobicContact CB-CG 4.45Å; L329-L574 HydrophobicContact CD1-CD1 4.32Å; A330-L574 HydrophobicContact CB-CD2 4.22Å; L333-L574 HydrophobicContact CD2-CD2 4.26Å; V346-L574 HydrophobicContact CG1-CD1 3.91Å; V346-L574 HydrophobicContact CG2-CD1 4.31Å; V346-L574 HydrophobicContact CG2-CD2 4.02Å; H520-L574 PolarHBondContact CD2-O 3.34Å; G572-L574 PolarHBondContact O-N 3.28Å; G572-L574 VanDerWaalsContact O-N 3.12Å; L574-L576 VanDerWaalsContact C-N 3.32Å; L574-L576 PolarHBondContact O-N 3.35Å; L574-C577 PolarHBondContact O-N 2.85Å; L574-A578 PolarHBondContact O-N 2.87Å |
| 575 | V | 97.4 | Very high | 94.6 | Very high | 0.5 Ų | 0.5 | 19.3 Ų | 19.3 | 0% | 0.003 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.6 | -41.2 | 173.5 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | D516 T519 H520 L523 I562 G572 A578 L579 | D516-V575 HydrophobicContact CB-CG2 4.13Å; D516-V575 VanDerWaalsContact O-CG2 3.31Å; D516-V575 WeakPolarHBondContact O-CG2 3.3Å; T519-V575 HydrophobicContact CG2-CB 4.49Å; T519-V575 HydrophobicContact CG2-CG1 3.71Å; T519-V575 HydrophobicContact CG2-CG2 4.01Å; H520-V575 HydrophobicContact CB-CG2 4.28Å; L523-V575 HydrophobicContact CD1-CG1 4.17Å; I562-V575 HydrophobicContact CG2-CG1 4.06Å; G572-V575 CarbonylContact O-C 3.51Å; G572-V575 WeakPolarHBondContact O-CA 3.25Å; G572-V575 WeakPolarHBondContact O-CB 3.33Å; G572-V575 PolarHBondContact O-N 3.23Å; V575-A578 PolarHBondContact O-N 3.13Å; V575-L579 HydrophobicContact CG1-CD1 3.72Å; V575-L579 HydrophobicContact CG1-CG 4.27Å; V575-L579 WeakPolarHBondContact O-CB 3.4Å; V575-L579 VanDerWaalsContact O-CG 3.27Å; V575-L579 WeakPolarHBondContact O-CG 3.29Å; V575-L579 PolarHBondContact O-N 3.04Å |
| 576 | L | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.4 | -45.7 | 174 | -73.6 | 174.4 | 0 | 0 | 0 | 112.1 | F563 H566 A567 G572 S573 L574 A578 L579 L580 L617 I625 | F563-L576 HydrophobicContact CD2-CD2 3.78Å; F563-L576 HydrophobicContact CE2-CD2 4.1Å; H566-L576 HydrophobicContact CB-CD1 4.16Å; H566-L576 HydrophobicContact CB-CD2 3.72Å; H566-L576 HydrophobicContact CB-CG 3.78Å; A567-L576 HydrophobicContact CB-CD2 4.16Å; G572-L576 PolarHBondContact O-N 3.04Å; S573-L576 PolarHBondContact O-N 2.99Å; L574-L576 VanDerWaalsContact C-N 3.32Å; L574-L576 PolarHBondContact O-N 3.35Å; L576-A578 VanDerWaalsContact C-N 3.33Å; L576-A578 PolarHBondContact O-N 3.05Å; L576-L579 PolarHBondContact O-N 3.08Å; L576-L580 VanDerWaalsContact O-CB 3.3Å; L576-L580 WeakPolarHBondContact O-CB 3.36Å; L576-L580 WeakPolarHBondContact O-CG 3.36Å; L576-L580 PolarHBondContact O-N 2.92Å; L576-L617 HydrophobicContact CD1-CD2 4.18Å; L576-I625 HydrophobicContact CB-CD1 4.18Å; L576-I625 HydrophobicContact CB-CG1 4.47Å |
| 577 | C | 96.2 | Very high | 94.8 | Very high | 16 Ų | 16 | 18 Ų | 18 | 11% | 0.108 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -55.5 | -50.8 | 173.7 | -75.7 | 0 | 0 | 0 | 0 | 111.5 | S573 L574 L579 L580 D581 I625 | S573-C577 PolarHBondContact O-N 2.86Å; S573-C577 PolarHBondContact O-SG 3.22Å; L574-C577 PolarHBondContact O-N 2.85Å; C577-L579 VanDerWaalsContact C-N 3.33Å; C577-L579 PolarHBondContact O-N 2.95Å; C577-L580 PolarHBondContact O-N 3.18Å; C577-L580 VanDerWaalsContact O-N 3.13Å; C577-D581 PolarHBondContact O-N 3.27Å; C577-I625 VanDerWaalsContact SG-CG1 3.55Å |
| 578 | A | 97.3 | Very high | 94.9 | Very high | 3.5 Ų | 3.5 | 17.8 Ų | 17.8 | 3% | 0.029 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.5 | -33.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | L523 N527 L574 V575 L576 F582 | L523-A578 HydrophobicContact CB-CB 3.58Å; L523-A578 HydrophobicContact CD1-CB 4.08Å; N527-A578 PolarHBondContact ND2-O 3.19Å; L574-A578 PolarHBondContact O-N 2.87Å; V575-A578 PolarHBondContact O-N 3.13Å; L576-A578 VanDerWaalsContact C-N 3.33Å; L576-A578 PolarHBondContact O-N 3.05Å; A578-F582 WeakPolarHBondContact O-CB 3.43Å; A578-F582 PolarHBondContact O-N 3.32Å |
| 579 | L | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -70.6 | -40.7 | 172.7 | -71.3 | 169.4 | 0 | 0 | 0 | 112.1 | L523 L559 I562 F563 V575 L576 C577 D581 F582 F583 | L523-L579 HydrophobicContact CD1-CD1 4.48Å; L523-L579 HydrophobicContact CD1-CD2 3.63Å; L523-L579 HydrophobicContact CD1-CG 3.65Å; L523-L579 HydrophobicContact CD2-CD2 3.86Å; L523-L579 HydrophobicContact CG-CD2 4.42Å; L559-L579 HydrophobicContact CB-CD2 4.07Å; L559-L579 HydrophobicContact CD2-CD2 4.13Å; L559-L579 HydrophobicContact CG-CD2 4.5Å; I562-L579 HydrophobicContact CB-CD1 4.38Å; I562-L579 HydrophobicContact CG2-CD1 3.85Å; F563-L579 HydrophobicContact CB-CD1 3.87Å; F563-L579 HydrophobicContact CD2-CB 4.49Å; V575-L579 HydrophobicContact CG1-CD1 3.72Å; V575-L579 HydrophobicContact CG1-CG 4.27Å; V575-L579 WeakPolarHBondContact O-CB 3.4Å; V575-L579 VanDerWaalsContact O-CG 3.27Å; V575-L579 WeakPolarHBondContact O-CG 3.29Å; V575-L579 PolarHBondContact O-N 3.04Å; L576-L579 PolarHBondContact O-N 3.08Å; C577-L579 VanDerWaalsContact C-N 3.33Å; C577-L579 PolarHBondContact O-N 2.95Å; L579-D581 VanDerWaalsContact C-N 3.33Å; L579-D581 PolarHBondContact O-N 3.07Å; L579-F582 WeakPolarHBondContact O-CB 3.41Å; L579-F582 PolarHBondContact O-N 2.99Å; L579-F583 HydrophobicContact CB-CE2 3.98Å; L579-F583 HydrophobicContact CB-CZ 4.4Å; L579-F583 HydrophobicContact CD2-CZ 4.39Å; L579-F583 WeakPolarHBondContact O-CD2 3.41Å; L579-F583 WeakPolarHBondContact O-CG 3.36Å; L579-F583 PolarHBondContact O-N 3.27Å |
| 580 | L | 97.7 | Very high | 95.1 | Very high | 2.5 Ų | 2.5 | 13.5 Ų | 13.5 | 1% | 0.013 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.3 | -37.6 | 176.2 | -71.2 | 172.2 | 0 | 0 | 0 | 111.5 | F563 L576 C577 F583 T584 L617 I625 I632 | F563-L580 HydrophobicContact CE2-CD2 3.8Å; F563-L580 HydrophobicContact CE2-CG 4.41Å; L576-L580 VanDerWaalsContact O-CB 3.3Å; L576-L580 WeakPolarHBondContact O-CB 3.36Å; L576-L580 WeakPolarHBondContact O-CG 3.36Å; L576-L580 PolarHBondContact O-N 2.92Å; C577-L580 PolarHBondContact O-N 3.18Å; C577-L580 VanDerWaalsContact O-N 3.13Å; L580-F583 PolarHBondContact O-N 3Å; L580-T584 WeakPolarHBondContact O-CB 3.46Å; L580-T584 PolarHBondContact O-N 3.04Å; L580-T584 PolarHBondContact O-OG1 3.11Å; L580-L617 HydrophobicContact CD1-CD1 4.18Å; L580-L617 HydrophobicContact CD2-CD1 3.93Å; L580-I625 HydrophobicContact CD1-CB 4.07Å; L580-I625 HydrophobicContact CD1-CG1 3.99Å; L580-I625 HydrophobicContact CD1-CG2 3.97Å; L580-I632 HydrophobicContact CD2-CD1 3.36Å |
| 581 | D | 95.7 | Very high | 95.4 | Very high | 44.5 Ų | 44.5 | 12.4 Ų | 12.4 | 24% | 0.238 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.8 | -47.1 | 171.3 | -73.4 | -16.5 | 0 | 0 | 0 | 110.6 | N527 C577 L579 F583 T584 Y585 | N527-D581 WeakPolarHBondContact ND2-CB 3.27Å; C577-D581 PolarHBondContact O-N 3.27Å; L579-D581 VanDerWaalsContact C-N 3.33Å; L579-D581 PolarHBondContact O-N 3.07Å; D581-F583 PolarHBondContact O-N 3.11Å; D581-T584 WeakPolarHBondContact O-CB 3.17Å; D581-T584 PolarHBondContact O-N 2.86Å; D581-T584 VanDerWaalsContact O-N 3.13Å; D581-Y585 HydrophobicContact CB-CE2 3.98Å; D581-Y585 WeakPolarHBondContact O-CD2 3.31Å; D581-Y585 VanDerWaalsContact O-CG 3.24Å; D581-Y585 PolarHBondContact O-N 2.92Å |
| 582 | F | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -55.6 | -49.2 | 176.2 | -177.1 | -87.3 | 0 | 0 | 0 | 111.9 | I526 N527 M530 I549 F555 L556 L559 A578 L579 Y585 G586 L603 | I526-F582 HydrophobicContact CG2-CD2 4.09Å; I526-F582 HydrophobicContact CG2-CE2 3.81Å; N527-F582 VanDerWaalsContact OD1-CA 3.28Å; N527-F582 WeakPolarHBondContact OD1-CA 3.35Å; N527-F582 VanDerWaalsContact OD1-CB 3.24Å; N527-F582 WeakPolarHBondContact OD1-CB 3.4Å; N527-F582 PolarHBondContact OD1-N 3.23Å; M530-F582 HydrophobicContact CE-CE2 4.28Å; M530-F582 HydrophobicContact CE-CZ 4.44Å; M530-F582 HydrophobicContact CG-CD2 4.37Å; M530-F582 HydrophobicContact CG-CE2 4.32Å; M530-F582 HydrophobicContact SD-CE2 4.24Å; I549-F582 HydrophobicContact CG2-CE2 3.64Å; I549-F582 HydrophobicContact CG2-CZ 3.92Å; F555-F582 HydrophobicContact CE1-CZ 4.29Å; L556-F582 HydrophobicContact CD2-CE1 3.76Å; L556-F582 HydrophobicContact CD2-CZ 3.83Å; L559-F582 HydrophobicContact CD1-CD1 3.99Å; L559-F582 HydrophobicContact CD1-CD2 4.4Å; L559-F582 HydrophobicContact CD1-CE1 3.71Å; L559-F582 HydrophobicContact CD1-CE2 4.12Å; L559-F582 HydrophobicContact CD1-CG 4.34Å; L559-F582 HydrophobicContact CD1-CZ 3.78Å; A578-F582 WeakPolarHBondContact O-CB 3.43Å; A578-F582 PolarHBondContact O-N 3.32Å; L579-F582 WeakPolarHBondContact O-CB 3.41Å; L579-F582 PolarHBondContact O-N 2.99Å; F582-Y585 PolarHBondContact O-N 3.27Å; F582-G586 PolarHBondContact O-N 2.83Å; F582-L603 HydrophobicContact CE1-CD2 4.43Å |
| 583 | F | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -68.1 | -36 | 177.4 | -57.6 | -37.4 | 0 | 0 | 0 | 111.8 | L559 V560 F563 L579 L580 D581 Y585 G586 V587 L603 L607 I632 | L559-F583 HydrophobicContact CB-CE1 4.48Å; V560-F583 HydrophobicContact CG2-CE1 3.94Å; V560-F583 HydrophobicContact CG2-CZ 3.91Å; F563-F583 HydrophobicContact CB-CE2 3.79Å; F563-F583 HydrophobicContact CB-CZ 4.06Å; F563-F583 HydrophobicContact CD1-CE2 4.31Å; F563-F583 HydrophobicContact CD2-CD2 4.46Å; F563-F583 AromaticContact CD2-CE2 3.8Å; F563-F583 HydrophobicContact CD2-CE2 3.8Å; F563-F583 HydrophobicContact CE2-CE2 4.49Å; F563-F583 AromaticContact CG-CE2 3.69Å; F563-F583 HydrophobicContact CG-CE2 3.69Å; F563-F583 HydrophobicContact CG-CZ 4.39Å; L579-F583 HydrophobicContact CB-CE2 3.98Å; L579-F583 HydrophobicContact CB-CZ 4.4Å; L579-F583 HydrophobicContact CD2-CZ 4.39Å; L579-F583 WeakPolarHBondContact O-CD2 3.41Å; L579-F583 WeakPolarHBondContact O-CG 3.36Å; L579-F583 PolarHBondContact O-N 3.27Å; L580-F583 PolarHBondContact O-N 3Å; D581-F583 PolarHBondContact O-N 3.11Å; F583-Y585 PolarHBondContact O-N 3.16Å; F583-G586 PolarHBondContact O-N 3.12Å; F583-G586 VanDerWaalsContact O-N 3.17Å; F583-V587 VanDerWaalsContact O-CG2 3.3Å; F583-V587 WeakPolarHBondContact O-CG2 3.33Å; F583-V587 PolarHBondContact O-N 3.07Å; F583-L603 HydrophobicContact CD1-CD1 4.07Å; F583-L603 HydrophobicContact CD1-CD2 4.45Å; F583-L603 HydrophobicContact CE1-CD1 4.15Å; F583-L607 HydrophobicContact CB-CD1 4.28Å; F583-L607 HydrophobicContact CD1-CD1 4.21Å; F583-L607 HydrophobicContact CD1-CD2 4.12Å; F583-L607 HydrophobicContact CD2-CD2 3.92Å; F583-L607 HydrophobicContact CE1-CD2 4.16Å; F583-L607 HydrophobicContact CE2-CD2 3.95Å; F583-L607 HydrophobicContact CG-CD1 4.2Å; F583-L607 HydrophobicContact CG-CD2 4.03Å; F583-L607 HydrophobicContact CZ-CD2 4.09Å; F583-I632 HydrophobicContact CB-CD1 3.53Å; F583-I632 HydrophobicContact CB-CG1 4.05Å; F583-I632 HydrophobicContact CD2-CD1 3.85Å; F583-I632 HydrophobicContact CG-CD1 4.16Å |
| 584 | T | 95.9 | Very high | 95.4 | Very high | 9.5 Ų | 9.5 | 12 Ų | 12 | 6% | 0.058 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -60.8 | -46.7 | 175.3 | -65 | 0 | 0 | 0 | 0 | 110.7 | L580 D581 G586 C588 Y591 M631 | L580-T584 WeakPolarHBondContact O-CB 3.46Å; L580-T584 PolarHBondContact O-N 3.04Å; L580-T584 PolarHBondContact O-OG1 3.11Å; D581-T584 WeakPolarHBondContact O-CB 3.17Å; D581-T584 PolarHBondContact O-N 2.86Å; D581-T584 VanDerWaalsContact O-N 3.13Å; T584-G586 VanDerWaalsContact C-N 3.27Å; T584-G586 PolarHBondContact O-N 3.41Å; T584-C588 HydrophobicContact CG2-CB 4.03Å; T584-C588 WeakPolarHBondContact O-CB 3.35Å; T584-C588 PolarHBondContact O-N 3.13Å; T584-C588 VanDerWaalsContact O-N 3.15Å; T584-Y591 HydrophobicContact CG2-CD2 3.93Å; T584-Y591 HydrophobicContact CG2-CE2 4.03Å; T584-M631 HydrophobicContact CG2-CE 3.68Å |
| 585 | Y | 96.1 | Very high | 95.3 | Very high | 34 Ų | 34 | 11.8 Ų | 11.8 | 13% | 0.133 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -67.7 | -27 | 176.3 | -57.7 | -41.9 | 0 | 0 | 0 | 113.3 | N527 M530 H531 K546 D581 F582 F583 Y591 | N527-Y585 HydrophobicContact CB-CD2 4.36Å; N527-Y585 HydrophobicContact CB-CE2 4.04Å; M530-Y585 HydrophobicContact CB-CD2 4.1Å; M530-Y585 HydrophobicContact CB-CG 4.35Å; H531-Y585 HydrophobicContact CB-CD1 3.81Å; H531-Y585 HydrophobicContact CB-CD2 4.13Å; H531-Y585 HydrophobicContact CB-CE1 3.72Å; H531-Y585 HydrophobicContact CB-CE2 4.05Å; H531-Y585 HydrophobicContact CB-CG 4.03Å; H531-Y585 AromaticContact CD2-CE1 3.79Å; H531-Y585 AromaticContact CD2-CZ 3.74Å; H531-Y585 AromaticContact CG-CE1 3.81Å; K546-Y585 WeakPolarHBondContact CE-O 3.34Å; K546-Y585 PolarHBondContact NZ-O 2.89Å; D581-Y585 HydrophobicContact CB-CE2 3.98Å; D581-Y585 WeakPolarHBondContact O-CD2 3.31Å; D581-Y585 VanDerWaalsContact O-CG 3.24Å; D581-Y585 PolarHBondContact O-N 2.92Å; F582-Y585 PolarHBondContact O-N 3.27Å; F583-Y585 PolarHBondContact O-N 3.16Å; Y585-Y591 AromaticContact CD1-CD1 3.88Å; Y585-Y591 HydrophobicContact CD1-CD1 3.96Å; Y585-Y591 AromaticContact CD1-CD2 3.99Å; Y585-Y591 HydrophobicContact CD1-CD2 4Å; Y585-Y591 HydrophobicContact CD1-CE1 4.21Å; Y585-Y591 HydrophobicContact CD1-CE2 4.25Å; Y585-Y591 AromaticContact CD1-CG 3.85Å; Y585-Y591 HydrophobicContact CD1-CG 3.85Å; Y585-Y591 HydrophobicContact CE1-CD1 4.33Å; Y585-Y591 HydrophobicContact CE1-CD2 4.49Å; Y585-Y591 HydrophobicContact CE1-CE1 4.21Å; Y585-Y591 HydrophobicContact CE1-CE2 4.3Å |
| 586 | G | 95.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -81.2 | -50.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | F582 F583 T584 S592 S595 | F582-G586 PolarHBondContact O-N 2.83Å; F583-G586 PolarHBondContact O-N 3.12Å; F583-G586 VanDerWaalsContact O-N 3.17Å; T584-G586 VanDerWaalsContact C-N 3.27Å; T584-G586 PolarHBondContact O-N 3.41Å; G586-S592 WeakPolarHBondContact O-CB 3.3Å; G586-S595 WeakPolarHBondContact O-CB 3.4Å; G586-S595 PolarHBondContact O-OG 2.87Å |
| 587 | V | 95.3 | Very high | 94.7 | Very high | 0.5 Ų | 0.5 | 18.8 Ų | 18.8 | 0% | 0.003 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -119.7 | -20.1 | -168.7 | -57.6 | 0 | 0 | 0 | 0 | 115.8 | F583 S592 F600 L603 L604 L607 A635 | F583-V587 VanDerWaalsContact O-CG2 3.3Å; F583-V587 WeakPolarHBondContact O-CG2 3.33Å; F583-V587 PolarHBondContact O-N 3.07Å; V587-S592 VanDerWaalsContact C-CB 3.41Å; V587-S592 VanDerWaalsContact O-CB 3.31Å; V587-S592 WeakPolarHBondContact O-CB 3.37Å; V587-S592 PolarHBondContact O-OG 3.19Å; V587-F600 HydrophobicContact CB-CD2 4.37Å; V587-F600 HydrophobicContact CB-CE2 3.98Å; V587-F600 HydrophobicContact CG1-CD2 4.19Å; V587-F600 HydrophobicContact CG1-CE2 4.22Å; V587-L603 HydrophobicContact CG1-CB 4.22Å; V587-L603 HydrophobicContact CG1-CD2 3.89Å; V587-L603 HydrophobicContact CG1-CG 3.87Å; V587-L604 HydrophobicContact CB-CD1 4.18Å; V587-L604 HydrophobicContact CG1-CB 4.34Å; V587-L604 HydrophobicContact CG1-CD1 4.24Å; V587-L607 HydrophobicContact CG1-CD1 4.26Å; V587-L607 HydrophobicContact CG2-CD1 3.91Å; V587-A635 HydrophobicContact CG2-CB 4.41Å |
| 588 | C | 94.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.02 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -89.4 | 147.9 | -177.9 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | T584 Y591 S592 M631 | T584-C588 HydrophobicContact CG2-CB 4.03Å; T584-C588 WeakPolarHBondContact O-CB 3.35Å; T584-C588 PolarHBondContact O-N 3.13Å; T584-C588 VanDerWaalsContact O-N 3.15Å; C588-Y591 CarbonylContact O-C 3.41Å; C588-Y591 PolarHBondContact O-N 3.12Å; C588-Y591 VanDerWaalsContact O-N 3.1Å; C588-S592 WeakPolarHBondContact O-CB 3.39Å; C588-S592 PolarHBondContact O-N 3.07Å; C588-M631 HydrophobicContact CB-CB 4.35Å; C588-M631 HydrophobicContact CB-CE 3.74Å; C588-M631 VanDerWaalsContact SG-C 3.51Å; C588-M631 PolarHBondContact SG-O 3.16Å; C588-M631 VanDerWaalsContact SG-O 3.37Å |
| 589 | L | 91.4 | Very high | 94.4 | Very high | 46 Ų | 46 | 21.7 Ų | 21.7 | 24% | 0.241 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 150.3 | 171.2 | -70 | 171 | 0 | 0 | 0 | 111.1 | Y591 S592 E593 P795 | L589-Y591 VanDerWaalsContact C-N 3.34Å; L589-S592 WeakPolarHBondContact CD2-OG 3.45Å; L589-E593 HydrophobicContact CD2-CG 3.65Å; L589-P795 HydrophobicContact CD1-CB 4.29Å; L589-P795 HydrophobicContact CD1-CG 4.11Å; L589-P795 HydrophobicContact CD2-CG 3.87Å |
| 590 | P | 91 | Very high | 94.3 | Very high | 12.5 Ų | 12.5 | 21.7 Ų | 21.7 | 8% | 0.081 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -78.7 | -9.7 | -1.5 | 32.4 | -36.8 | 0 | 0 | 0 | 113.6 | S592 E593 P727 R729 N731 | P590-S592 VanDerWaalsContact C-N 3.33Å; P590-S592 PolarHBondContact O-N 3.06Å; P590-E593 PolarHBondContact O-N 3.24Å; P590-P727 WeakPolarHBondContact CD-O 3.43Å; P590-R729 HydrophobicContact CB-CB 4.15Å; P590-R729 WeakPolarHBondContact CB-O 3.32Å; P590-R729 HydrophobicContact CG-CB 3.58Å; P590-N731 PolarHBondContact O-ND2 3.16Å |
| 591 | Y | 93.2 | Very high | 94.1 | Very high | 29 Ų | 29 | 24.5 Ų | 24.5 | 11% | 0.114 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -66.6 | -27.8 | -169.3 | -50.7 | -72.7 | 0 | 0 | 0 | 114.5 | H531 K546 T584 Y585 C588 L589 E593 T594 P727 | H531-Y591 AromaticContact CE1-CE1 3.81Å; H531-Y591 AromaticContact ND1-CE1 3.88Å; K546-Y591 PolarHBondContact NZ-O 3.1Å; T584-Y591 HydrophobicContact CG2-CD2 3.93Å; T584-Y591 HydrophobicContact CG2-CE2 4.03Å; Y585-Y591 AromaticContact CD1-CD1 3.88Å; Y585-Y591 HydrophobicContact CD1-CD1 3.96Å; Y585-Y591 AromaticContact CD1-CD2 3.99Å; Y585-Y591 HydrophobicContact CD1-CD2 4Å; Y585-Y591 HydrophobicContact CD1-CE1 4.21Å; Y585-Y591 HydrophobicContact CD1-CE2 4.25Å; Y585-Y591 AromaticContact CD1-CG 3.85Å; Y585-Y591 HydrophobicContact CD1-CG 3.85Å; Y585-Y591 HydrophobicContact CE1-CD1 4.33Å; Y585-Y591 HydrophobicContact CE1-CD2 4.49Å; Y585-Y591 HydrophobicContact CE1-CE1 4.21Å; Y585-Y591 HydrophobicContact CE1-CE2 4.3Å; C588-Y591 CarbonylContact O-C 3.41Å; C588-Y591 PolarHBondContact O-N 3.12Å; C588-Y591 VanDerWaalsContact O-N 3.1Å; L589-Y591 VanDerWaalsContact C-N 3.34Å; Y591-E593 PolarHBondContact O-N 2.85Å; Y591-T594 PolarHBondContact O-N 3.11Å; Y591-T594 PolarHBondContact O-OG1 3.15Å; Y591-P727 HydrophobicContact CE2-CB 4.38Å |
| 592 | S | 93.6 | Very high | 94.1 | Very high | 0.5 Ų | 0.5 | 23.8 Ų | 23.8 | 0% | 0.003 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -73.3 | -5 | -177.8 | 70.2 | 0 | 0 | 0 | 0 | 115 | G586 V587 C588 L589 P590 T594 S595 R793 | G586-S592 WeakPolarHBondContact O-CB 3.3Å; V587-S592 VanDerWaalsContact C-CB 3.41Å; V587-S592 VanDerWaalsContact O-CB 3.31Å; V587-S592 WeakPolarHBondContact O-CB 3.37Å; V587-S592 PolarHBondContact O-OG 3.19Å; C588-S592 WeakPolarHBondContact O-CB 3.39Å; C588-S592 PolarHBondContact O-N 3.07Å; L589-S592 WeakPolarHBondContact CD2-OG 3.45Å; P590-S592 VanDerWaalsContact C-N 3.33Å; P590-S592 PolarHBondContact O-N 3.06Å; S592-T594 VanDerWaalsContact C-N 3.26Å; S592-T594 PolarHBondContact O-N 3.35Å; S592-S595 WeakPolarHBondContact O-CB 3.35Å; S592-S595 PolarHBondContact O-N 3.18Å; S592-R793 PolarHBondContact O-NE 3.41Å; S592-R793 VanDerWaalsContact O-NE 3.08Å; S592-R793 PolarHBondContact OG-NH2 3.32Å |
| 593 | E | 92 | Very high | 93.9 | Very high | 43 Ų | 43 | 23.8 Ų | 23.8 | 20% | 0.201 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -72 | -21.7 | 171.3 | -60.1 | -173.1 | 152.6 | 0 | 0 | 112.5 | L589 P590 Y591 N731 L792 R793 | L589-E593 HydrophobicContact CD2-CG 3.65Å; P590-E593 PolarHBondContact O-N 3.24Å; Y591-E593 PolarHBondContact O-N 2.85Å; E593-N731 WeakPolarHBondContact OE2-CB 3.34Å; E593-N731 PolarHBondContact OE2-ND2 2.99Å; E593-L792 HydrophobicContact CB-CB 4.38Å; E593-L792 HydrophobicContact CB-CD2 4.43Å; E593-L792 CarbonylContact O-C 3.39Å; E593-L792 WeakPolarHBondContact O-CA 3.41Å; E593-R793 PolarHBondContact O-N 3.11Å |
| 594 | T | 92.7 | Very high | 93.7 | Very high | 0.5 Ų | 0.5 | 24.2 Ų | 24.2 | 0% | 0.003 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -96.7 | 4.1 | 174 | 62.5 | 0 | 0 | 0 | 0 | 112.7 | I539 E542 Q543 K546 Y591 S592 L792 | I539-T594 HydrophobicContact CD1-CG2 3.68Å; I539-T594 HydrophobicContact CG1-CG2 3.48Å; I539-T594 VanDerWaalsContact CG1-CG2 3.45Å; E542-T594 WeakPolarHBondContact OE1-CB 3.14Å; E542-T594 PolarHBondContact OE1-OG1 2.92Å; Q543-T594 HydrophobicContact CG-CG2 4.43Å; Q543-T594 WeakPolarHBondContact CG-O 3.36Å; K546-T594 WeakPolarHBondContact CE-OG1 3.4Å; K546-T594 PolarHBondContact NZ-OG1 2.94Å; Y591-T594 PolarHBondContact O-N 3.11Å; Y591-T594 PolarHBondContact O-OG1 3.15Å; S592-T594 VanDerWaalsContact C-N 3.26Å; S592-T594 PolarHBondContact O-N 3.35Å; T594-L792 HydrophobicContact CG2-CD2 4.2Å |
| 595 | S | 94.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -88.2 | 131.3 | 173.4 | -61.9 | 0 | 0 | 0 | 0 | 110.7 | G586 S592 G597 | G586-S595 WeakPolarHBondContact O-CB 3.4Å; G586-S595 PolarHBondContact O-OG 2.87Å; S592-S595 WeakPolarHBondContact O-CB 3.35Å; S592-S595 PolarHBondContact O-N 3.18Å; S595-G597 PolarHBondContact O-N 2.86Å |
| 596 | E | 92.8 | Very high | 93.6 | Very high | 115.5 Ų | 115.5 | 29.6 Ų | 29.6 | 54% | 0.54 | 16% | 0.161 | S | C | . | . | trans | -62.9 | 133.3 | 175.3 | -172.7 | -172.7 | 155.4 | 0 | 0 | 110.9 | G598 L599 F600 | E596-G598 PolarHBondContact O-N 2.99Å; E596-L599 HydrophobicContact CB-CB 4.48Å; E596-L599 HydrophobicContact CB-CD1 4.24Å; E596-L599 HydrophobicContact CB-CG 4.4Å; E596-L599 PolarHBondContact O-N 3.35Å; E596-L599 VanDerWaalsContact O-N 3.17Å; E596-F600 VanDerWaalsContact O-CB 3.32Å; E596-F600 WeakPolarHBondContact O-CB 3.45Å; E596-F600 PolarHBondContact O-N 3.26Å | ||
| 597 | G | 90 | Very high | 93.6 | Very high | 32 Ų | 32 | 29.7 Ų | 29.7 | 33% | 0.33 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -53.1 | -46.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115 | S595 L599 F600 D601 | S595-G597 PolarHBondContact O-N 2.86Å; G597-L599 VanDerWaalsContact C-N 3.34Å; G597-L599 PolarHBondContact O-N 3.12Å; G597-F600 WeakPolarHBondContact O-CB 3.4Å; G597-F600 PolarHBondContact O-N 3.42Å; G597-D601 WeakPolarHBondContact O-CB 3.38Å; G597-D601 PolarHBondContact O-N 2.94Å |
| 598 | G | 92.9 | Very high | 93.5 | Very high | 50.5 Ų | 50.5 | 30.3 Ų | 30.3 | 52% | 0.521 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -67.1 | -33 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E596 N602 | E596-G598 PolarHBondContact O-N 2.99Å; G598-N602 WeakPolarHBondContact O-CB 3.43Å; G598-N602 PolarHBondContact O-N 3.14Å; G598-N602 VanDerWaalsContact O-N 3.17Å |
| 599 | L | 94.5 | Very high | 93.3 | Very high | 28.5 Ų | 28.5 | 35.7 Ų | 35.7 | 15% | 0.149 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -79.9 | -37.2 | 177.9 | -59.1 | 179.5 | 0 | 0 | 0 | 111.5 | A547 M550 E596 G597 N602 L603 | A547-L599 HydrophobicContact CB-CD1 4.04Å; A547-L599 WeakPolarHBondContact O-CD1 3.18Å; M550-L599 HydrophobicContact CB-CB 4.06Å; M550-L599 HydrophobicContact CB-CD1 4.25Å; M550-L599 HydrophobicContact CE-CB 4.21Å; M550-L599 WeakPolarHBondContact CE-O 3.2Å; E596-L599 HydrophobicContact CB-CB 4.48Å; E596-L599 HydrophobicContact CB-CD1 4.24Å; E596-L599 HydrophobicContact CB-CG 4.4Å; E596-L599 PolarHBondContact O-N 3.35Å; E596-L599 VanDerWaalsContact O-N 3.17Å; G597-L599 VanDerWaalsContact C-N 3.34Å; G597-L599 PolarHBondContact O-N 3.12Å; L599-N602 PolarHBondContact O-N 3.46Å; L599-L603 PolarHBondContact O-N 3.14Å |
| 600 | F | 95.5 | Very high | 93.2 | Very high | 0.5 Ų | 0.5 | 35.1 Ų | 35.1 | 0% | 0.002 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.5 | -52.3 | 169.3 | 168.6 | -89.5 | 0 | 0 | 0 | 110.8 | V587 E596 G597 N602 L603 L604 E639 | V587-F600 HydrophobicContact CB-CD2 4.37Å; V587-F600 HydrophobicContact CB-CE2 3.98Å; V587-F600 HydrophobicContact CG1-CD2 4.19Å; V587-F600 HydrophobicContact CG1-CE2 4.22Å; E596-F600 VanDerWaalsContact O-CB 3.32Å; E596-F600 WeakPolarHBondContact O-CB 3.45Å; E596-F600 PolarHBondContact O-N 3.26Å; G597-F600 WeakPolarHBondContact O-CB 3.4Å; G597-F600 PolarHBondContact O-N 3.42Å; F600-N602 VanDerWaalsContact C-N 3.29Å; F600-N602 PolarHBondContact O-N 2.96Å; F600-L603 PolarHBondContact O-N 3.26Å; F600-L604 HydrophobicContact CE1-CD2 3.92Å; F600-L604 HydrophobicContact CZ-CD2 4.09Å; F600-L604 VanDerWaalsContact O-CB 3.29Å; F600-L604 WeakPolarHBondContact O-CB 3.24Å; F600-L604 PolarHBondContact O-N 3.06Å; F600-E639 HydrophobicContact CE1-CB 4.2Å; F600-E639 HydrophobicContact CZ-CB 3.76Å; F600-E639 HydrophobicContact CZ-CG 4.01Å |
| 601 | D | 93 | Very high | 93.1 | Very high | 62 Ų | 62 | 34.6 Ų | 34.6 | 33% | 0.332 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.3 | -36.9 | 179.8 | -79.8 | -20.9 | 0 | 0 | 0 | 112.3 | G597 R605 R796 | G597-D601 WeakPolarHBondContact O-CB 3.38Å; G597-D601 PolarHBondContact O-N 2.94Å; D601-R605 VanDerWaalsContact O-CB 3.23Å; D601-R605 WeakPolarHBondContact O-CB 3.42Å; D601-R605 PolarHBondContact O-N 3.3Å; D601-R796 VanDerWaalsContact CG-NH1 3.32Å; D601-R796 IonicContact OD1-CZ 3.53Å; D601-R796 IonicContact OD1-NE 2.74Å; D601-R796 IonicContact OD1-NH1 3.35Å; D601-R796 PolarHBondContact OD1-NH1 3Å; D601-R796 IonicContact OD1-NH2 3.31Å; D601-R796 PolarHBondContact OD1-NH2 3.03Å; D601-R796 IonicContact OD2-NH1 3.77Å; D601-R796 PolarHBondContact OD2-NH1 3.49Å; D601-R796 VanDerWaalsContact OD2-NH1 3.16Å; D601-R796 IonicContact OD2-NH2 2.85Å; D601-R796 PolarHBondContact OD2-NH2 2.9Å |
| 602 | N | 95.1 | Very high | 92.9 | Very high | 30 Ų | 30 | 35.5 Ų | 35.5 | 16% | 0.16 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.7 | -49.4 | 175.6 | -138.7 | 0.8 | 0 | 0 | 0 | 111.8 | E553 G598 L599 F600 R605 L606 | E553-N602 WeakPolarHBondContact CB-ND2 3.32Å; E553-N602 PolarHBondContact OE2-ND2 2.84Å; G598-N602 WeakPolarHBondContact O-CB 3.43Å; G598-N602 PolarHBondContact O-N 3.14Å; G598-N602 VanDerWaalsContact O-N 3.17Å; L599-N602 PolarHBondContact O-N 3.46Å; F600-N602 VanDerWaalsContact C-N 3.29Å; F600-N602 PolarHBondContact O-N 2.96Å; N602-R605 PolarHBondContact O-N 3.16Å; N602-R605 PolarHBondContact OD1-NH2 3.42Å; N602-L606 WeakPolarHBondContact O-CG 3.33Å; N602-L606 PolarHBondContact O-N 3.22Å |
| 603 | L | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.1 | -43.3 | 177.9 | -179 | 54.3 | 0 | 0 | 0 | 111.7 | M550 L556 V560 F582 F583 V587 L599 F600 R605 L606 L607 | M550-L603 HydrophobicContact CE-CB 4Å; M550-L603 HydrophobicContact CE-CD2 3.78Å; L556-L603 HydrophobicContact CB-CD1 4.43Å; L556-L603 HydrophobicContact CD1-CB 4.15Å; L556-L603 HydrophobicContact CD1-CD1 4.41Å; L556-L603 HydrophobicContact CD2-CD1 4.27Å; V560-L603 HydrophobicContact CG2-CD1 4.37Å; F582-L603 HydrophobicContact CE1-CD2 4.43Å; F583-L603 HydrophobicContact CD1-CD1 4.07Å; F583-L603 HydrophobicContact CD1-CD2 4.45Å; F583-L603 HydrophobicContact CE1-CD1 4.15Å; V587-L603 HydrophobicContact CG1-CB 4.22Å; V587-L603 HydrophobicContact CG1-CD2 3.89Å; V587-L603 HydrophobicContact CG1-CG 3.87Å; L599-L603 PolarHBondContact O-N 3.14Å; F600-L603 PolarHBondContact O-N 3.26Å; L603-R605 VanDerWaalsContact C-N 3.33Å; L603-R605 PolarHBondContact O-N 3.08Å; L603-L606 PolarHBondContact O-N 2.97Å; L603-L607 HydrophobicContact CD1-CD1 4.18Å; L603-L607 HydrophobicContact CD1-CG 4.26Å; L603-L607 HydrophobicContact CG-CD1 4.06Å; L603-L607 WeakPolarHBondContact O-CB 3.49Å; L603-L607 WeakPolarHBondContact O-CG 3.26Å; L603-L607 PolarHBondContact O-N 2.89Å |
| 604 | L | 94.1 | Very high | 92.8 | Very high | 8.33333 Ų | 8.33333 | 33.6 Ų | 33.6 | 4% | 0.044 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 178 | -167.2 | 75 | 0 | 0 | 0 | 111.3 | V587 F600 L607 A608 L636 E639 R796 | V587-L604 HydrophobicContact CB-CD1 4.18Å; V587-L604 HydrophobicContact CG1-CB 4.34Å; V587-L604 HydrophobicContact CG1-CD1 4.24Å; F600-L604 HydrophobicContact CE1-CD2 3.92Å; F600-L604 HydrophobicContact CZ-CD2 4.09Å; F600-L604 VanDerWaalsContact O-CB 3.29Å; F600-L604 WeakPolarHBondContact O-CB 3.24Å; F600-L604 PolarHBondContact O-N 3.06Å; L604-L607 PolarHBondContact O-N 3.09Å; L604-A608 VanDerWaalsContact O-CB 3.32Å; L604-A608 WeakPolarHBondContact O-CB 3.3Å; L604-A608 PolarHBondContact O-N 3.4Å; L604-L636 HydrophobicContact CD1-CD2 3.67Å; L604-L636 HydrophobicContact CD1-CG 4.26Å; L604-L636 HydrophobicContact CG-CD2 4.01Å; L604-L636 WeakPolarHBondContact O-CD2 3.42Å; L604-E639 HydrophobicContact CD2-CB 4.1Å; L604-E639 VanDerWaalsContact CD2-O 3.26Å; L604-E639 WeakPolarHBondContact CD2-O 3.43Å; L604-R796 VanDerWaalsContact CD2-NH2 3.35Å |
| 605 | R | 94.5 | Very high | 92.8 | Very high | 133.667 Ų | 133.667 | 33.9 Ų | 33.9 | 50% | 0.504 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.8 | -43.3 | 175.3 | -178.6 | -175.4 | 34.9 | 165 | 4.4 | 112.3 | E553 D601 N602 L603 L607 A608 N609 | E553-R605 IonicContact OE1-CZ 3.83Å; E553-R605 IonicContact OE1-NH2 3.24Å; E553-R605 PolarHBondContact OE1-NH2 3.4Å; E553-R605 IonicContact OE2-NH2 3.25Å; E553-R605 PolarHBondContact OE2-NH2 3.06Å; D601-R605 VanDerWaalsContact O-CB 3.23Å; D601-R605 WeakPolarHBondContact O-CB 3.42Å; D601-R605 PolarHBondContact O-N 3.3Å; N602-R605 PolarHBondContact O-N 3.16Å; N602-R605 PolarHBondContact OD1-NH2 3.42Å; L603-R605 VanDerWaalsContact C-N 3.33Å; L603-R605 PolarHBondContact O-N 3.08Å; R605-L607 VanDerWaalsContact C-N 3.34Å; R605-L607 PolarHBondContact O-N 2.74Å; R605-A608 PolarHBondContact O-N 3.1Å; R605-N609 VanDerWaalsContact O-CG 3.24Å; R605-N609 PolarHBondContact O-N 3.4Å; R605-N609 VanDerWaalsContact O-N 3.09Å; R605-N609 PolarHBondContact O-ND2 2.93Å; R605-N609 PolarHBondContact O-OD1 3.25Å |
| 606 | L | 94.9 | Very high | 92.5 | Very high | 22.6667 Ų | 22.6667 | 35.8 Ų | 35.8 | 12% | 0.119 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.7 | -41.7 | 176.9 | -70.9 | 170.9 | 0 | 0 | 0 | 111.6 | E553 L556 A557 V560 N602 L603 N609 R610 | E553-L606 HydrophobicContact CG-CD1 4.33Å; L556-L606 HydrophobicContact CB-CD1 3.66Å; A557-L606 HydrophobicContact CB-CD1 4.26Å; A557-L606 HydrophobicContact CB-CD2 4.05Å; V560-L606 HydrophobicContact CG2-CB 4.23Å; N602-L606 WeakPolarHBondContact O-CG 3.33Å; N602-L606 PolarHBondContact O-N 3.22Å; L603-L606 PolarHBondContact O-N 2.97Å; L606-N609 PolarHBondContact O-N 2.76Å; L606-R610 PolarHBondContact O-N 3.47Å |
| 607 | L | 95 | Very high | 92.4 | Very high | 2.66667 Ų | 2.66667 | 30.4 Ų | 30.4 | 1% | 0.014 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.1 | -40.9 | 174.9 | -72.4 | 168.9 | 0 | 0 | 0 | 112 | V560 F583 V587 L603 L604 R605 N609 R610 G611 I632 L636 | V560-L607 HydrophobicContact CG2-CD2 3.92Å; V560-L607 HydrophobicContact CG2-CG 4.26Å; F583-L607 HydrophobicContact CB-CD1 4.28Å; F583-L607 HydrophobicContact CD1-CD1 4.21Å; F583-L607 HydrophobicContact CD1-CD2 4.12Å; F583-L607 HydrophobicContact CD2-CD2 3.92Å; F583-L607 HydrophobicContact CE1-CD2 4.16Å; F583-L607 HydrophobicContact CE2-CD2 3.95Å; F583-L607 HydrophobicContact CG-CD1 4.2Å; F583-L607 HydrophobicContact CG-CD2 4.03Å; F583-L607 HydrophobicContact CZ-CD2 4.09Å; V587-L607 HydrophobicContact CG1-CD1 4.26Å; V587-L607 HydrophobicContact CG2-CD1 3.91Å; L603-L607 HydrophobicContact CD1-CD1 4.18Å; L603-L607 HydrophobicContact CD1-CG 4.26Å; L603-L607 HydrophobicContact CG-CD1 4.06Å; L603-L607 WeakPolarHBondContact O-CB 3.49Å; L603-L607 WeakPolarHBondContact O-CG 3.26Å; L603-L607 PolarHBondContact O-N 2.89Å; L604-L607 PolarHBondContact O-N 3.09Å; R605-L607 VanDerWaalsContact C-N 3.34Å; R605-L607 PolarHBondContact O-N 2.74Å; L607-N609 PolarHBondContact O-N 3.32Å; L607-R610 CarbonylContact O-C 3.48Å; L607-R610 VanDerWaalsContact O-C 3.25Å; L607-R610 WeakPolarHBondContact O-CA 3.31Å; L607-R610 PolarHBondContact O-N 3.13Å; L607-G611 WeakPolarHBondContact O-CA 3.4Å; L607-G611 PolarHBondContact O-N 2.96Å; L607-I632 HydrophobicContact CD1-CG2 4.12Å; L607-L636 HydrophobicContact CB-CD2 4.13Å |
| 608 | A | 92.5 | Very high | 92.5 | Very high | 12 Ų | 12 | 29.2 Ų | 29.2 | 10% | 0.099 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.6 | -46.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L604 R605 R610 G611 L636 V644 | L604-A608 VanDerWaalsContact O-CB 3.32Å; L604-A608 WeakPolarHBondContact O-CB 3.3Å; L604-A608 PolarHBondContact O-N 3.4Å; R605-A608 PolarHBondContact O-N 3.1Å; A608-R610 PolarHBondContact O-N 3.13Å; A608-G611 PolarHBondContact O-N 3.19Å; A608-L636 HydrophobicContact CB-CD2 3.9Å; A608-V644 HydrophobicContact CB-CG1 3.66Å; A608-V644 HydrophobicContact CB-CG2 4.3Å |
| 609 | N | 91.3 | Very high | 92.1 | Very high | 116 Ų | 116 | 29.4 Ų | 29.4 | 62% | 0.62 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -18.5 | 176.3 | -67.9 | -17.3 | 0 | 0 | 0 | 113.6 | R605 L606 L607 | R605-N609 VanDerWaalsContact O-CG 3.24Å; R605-N609 PolarHBondContact O-N 3.4Å; R605-N609 VanDerWaalsContact O-N 3.09Å; R605-N609 PolarHBondContact O-ND2 2.93Å; R605-N609 PolarHBondContact O-OD1 3.25Å; L606-N609 PolarHBondContact O-N 2.76Å; L607-N609 PolarHBondContact O-N 3.32Å |
| 610 | R | 89.6 | Confident | 91.9 | Very high | 35 Ų | 35 | 29.3 Ų | 29.3 | 13% | 0.132 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 14.9 | 176 | -58.6 | -52.9 | -161.7 | -172.6 | 8 | 112.8 | V560 D561 T564 L606 L607 A608 R612 A613 D971 | V560-R610 HydrophobicContact CG1-CB 3.97Å; V560-R610 HydrophobicContact CG1-CG 3.4Å; V560-R610 VanDerWaalsContact CG1-CG 3.4Å; D561-R610 IonicContact OD1-CZ 3.43Å; D561-R610 IonicContact OD1-NE 2.88Å; D561-R610 PolarHBondContact OD1-NE 2.97Å; D561-R610 IonicContact OD1-NH2 3.3Å; D561-R610 PolarHBondContact OD1-NH2 3.09Å; T564-R610 WeakPolarHBondContact OG1-CB 3.15Å; T564-R610 WeakPolarHBondContact OG1-CG 3.26Å; L606-R610 PolarHBondContact O-N 3.47Å; L607-R610 CarbonylContact O-C 3.48Å; L607-R610 VanDerWaalsContact O-C 3.25Å; L607-R610 WeakPolarHBondContact O-CA 3.31Å; L607-R610 PolarHBondContact O-N 3.13Å; A608-R610 PolarHBondContact O-N 3.13Å; R610-R612 PolarHBondContact O-N 3.22Å; R610-A613 WeakPolarHBondContact O-CB 3.33Å; R610-A613 PolarHBondContact O-N 2.99Å; R610-D971 IonicContact CZ-OD1 3.12Å; R610-D971 IonicContact NH1-OD1 3.5Å; R610-D971 PolarHBondContact NH1-OD1 3.36Å; R610-D971 IonicContact NH2-OD1 2.79Å; R610-D971 PolarHBondContact NH2-OD1 3.19Å |
| 611 | G | 89 | Confident | 91.5 | Very high | 1.33333 Ų | 1.33333 | 33.4 Ų | 33.4 | 1% | 0.014 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -57.5 | -28.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L607 A608 A613 L614 | L607-G611 WeakPolarHBondContact O-CA 3.4Å; L607-G611 PolarHBondContact O-N 2.96Å; A608-G611 PolarHBondContact O-N 3.19Å; G611-A613 VanDerWaalsContact C-N 3.26Å; G611-A613 PolarHBondContact O-N 2.95Å; G611-A613 VanDerWaalsContact O-N 3.16Å; G611-L614 WeakPolarHBondContact O-CB 3.47Å; G611-L614 PolarHBondContact O-N 3.17Å; G611-L614 VanDerWaalsContact O-N 3.1Å |
| 612 | R | 89 | Confident | 91.4 | Very high | 48.6667 Ų | 48.6667 | 31.2 Ų | 31.2 | 18% | 0.184 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -57.9 | -31.1 | 175.6 | -163.9 | 169.6 | -173.9 | 158.3 | 4.3 | 113.8 | R610 L614 F615 L651 E655 A977 S978 | R610-R612 PolarHBondContact O-N 3.22Å; R612-L614 VanDerWaalsContact C-N 3.29Å; R612-L614 PolarHBondContact O-N 3.17Å; R612-F615 HydrophobicContact CG-CD2 4.34Å; R612-F615 WeakPolarHBondContact O-CD2 3.29Å; R612-F615 PolarHBondContact O-N 3.1Å; R612-L651 HydrophobicContact CB-CD1 4.23Å; R612-L651 HydrophobicContact CG-CD1 4.44Å; R612-L651 HydrophobicContact CG-CD2 4.36Å; R612-E655 HydrophobicContact CG-CG 4.47Å; R612-E655 IonicContact CZ-OE1 2.89Å; R612-E655 IonicContact NE-OE1 3.16Å; R612-E655 PolarHBondContact NE-OE1 3.02Å; R612-E655 IonicContact NH2-OE1 3.06Å; R612-E655 PolarHBondContact NH2-OE1 2.96Å; R612-A977 PolarHBondContact NH2-O 3.32Å; R612-S978 VanDerWaalsContact NH1-CA 3.34Å; R612-S978 PolarHBondContact NH1-O 3.17Å; R612-S978 PolarHBondContact NH2-O 2.84Å; R612-S978 VanDerWaalsContact NH2-O 3.12Å |
| 613 | A | 90.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -68.2 | -27.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | F563 T564 A567 L568 R610 G611 F615 R616 | F563-A613 HydrophobicContact CE1-CB 4.19Å; T564-A613 HydrophobicContact CG2-CB 4.07Å; A567-A613 HydrophobicContact CB-CB 4.37Å; L568-A613 HydrophobicContact CD2-CB 4.09Å; L568-A613 HydrophobicContact CG-CB 4.23Å; R610-A613 WeakPolarHBondContact O-CB 3.33Å; R610-A613 PolarHBondContact O-N 2.99Å; G611-A613 VanDerWaalsContact C-N 3.26Å; G611-A613 PolarHBondContact O-N 2.95Å; G611-A613 VanDerWaalsContact O-N 3.16Å; A613-F615 VanDerWaalsContact C-N 3.28Å; A613-F615 PolarHBondContact O-N 3.18Å; A613-R616 WeakPolarHBondContact O-CB 3.35Å; A613-R616 PolarHBondContact O-N 2.99Å |
| 614 | L | 92.7 | Very high | 90.8 | Very high | 1.33333 Ų | 1.33333 | 34.1 Ų | 34.1 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -63.1 | -34.5 | 178.4 | -69.2 | 162.2 | 0 | 0 | 0 | 112 | F563 G611 R612 R616 L617 I632 M633 L636 | F563-L614 HydrophobicContact CE1-CD2 4.26Å; F563-L614 HydrophobicContact CE1-CG 4.41Å; F563-L614 HydrophobicContact CZ-CD2 3.66Å; F563-L614 HydrophobicContact CZ-CG 4.25Å; G611-L614 WeakPolarHBondContact O-CB 3.47Å; G611-L614 PolarHBondContact O-N 3.17Å; G611-L614 VanDerWaalsContact O-N 3.1Å; R612-L614 VanDerWaalsContact C-N 3.29Å; R612-L614 PolarHBondContact O-N 3.17Å; L614-R616 PolarHBondContact O-N 3.17Å; L614-R616 VanDerWaalsContact O-N 3.14Å; L614-L617 HydrophobicContact CD2-CD1 4.15Å; L614-L617 WeakPolarHBondContact O-CB 3.36Å; L614-L617 PolarHBondContact O-N 3.21Å; L614-I632 HydrophobicContact CD1-CG2 3.88Å; L614-I632 HydrophobicContact CD2-CB 4.16Å; L614-I632 HydrophobicContact CD2-CD1 4.34Å; L614-I632 HydrophobicContact CD2-CG2 4.05Å; L614-M633 HydrophobicContact CB-CE 3.86Å; L614-M633 HydrophobicContact CB-SD 4.5Å; L614-M633 HydrophobicContact CD1-CE 4.03Å; L614-M633 HydrophobicContact CD1-SD 3.91Å; L614-L636 HydrophobicContact CD1-CD1 3.44Å; L614-L636 VanDerWaalsContact CD1-CD1 3.44Å |
| 615 | F | 91.8 | Very high | 90.8 | Very high | 6.33333 Ų | 6.33333 | 33.7 Ų | 33.7 | 3% | 0.028 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -61.7 | -24.8 | 178.6 | -62.5 | -69.1 | 0 | 0 | 0 | 113.1 | R612 A613 L617 Y618 M633 L648 L651 A652 E655 A657 W689 | R612-F615 HydrophobicContact CG-CD2 4.34Å; R612-F615 WeakPolarHBondContact O-CD2 3.29Å; R612-F615 PolarHBondContact O-N 3.1Å; A613-F615 VanDerWaalsContact C-N 3.28Å; A613-F615 PolarHBondContact O-N 3.18Å; F615-L617 VanDerWaalsContact C-N 3.29Å; F615-L617 PolarHBondContact O-N 3.4Å; F615-Y618 HydrophobicContact CB-CE2 4.44Å; F615-Y618 HydrophobicContact CD1-CD2 4.23Å; F615-Y618 AromaticContact CD1-CE2 3.6Å; F615-Y618 HydrophobicContact CD1-CE2 3.6Å; F615-Y618 HydrophobicContact CE1-CE2 4.27Å; F615-Y618 HydrophobicContact CG-CE2 4.39Å; F615-M633 HydrophobicContact CD1-CE 4.2Å; F615-M633 HydrophobicContact CD2-CE 4.35Å; F615-M633 HydrophobicContact CE1-CE 3.55Å; F615-M633 VanDerWaalsContact CE1-CE 3.47Å; F615-M633 HydrophobicContact CE1-SD 4.49Å; F615-M633 HydrophobicContact CE2-CE 3.75Å; F615-M633 HydrophobicContact CG-CE 4.46Å; F615-M633 HydrophobicContact CZ-CE 3.28Å; F615-M633 VanDerWaalsContact CZ-CE 3.4Å; F615-M633 HydrophobicContact CZ-SD 4.28Å; F615-L648 HydrophobicContact CE2-CD2 4.42Å; F615-L651 HydrophobicContact CD2-CB 4.39Å; F615-L651 HydrophobicContact CE2-CB 3.53Å; F615-L651 VanDerWaalsContact CE2-CB 3.48Å; F615-L651 HydrophobicContact CE2-CD1 4.27Å; F615-L651 HydrophobicContact CE2-CG 4.49Å; F615-L651 HydrophobicContact CZ-CB 3.83Å; F615-A652 HydrophobicContact CE1-CB 3.8Å; F615-A652 HydrophobicContact CZ-CB 4.11Å; F615-E655 HydrophobicContact CB-CB 3.82Å; F615-E655 HydrophobicContact CB-CG 3.93Å; F615-E655 HydrophobicContact CD1-CB 4.21Å; F615-E655 HydrophobicContact CD2-CB 4.22Å; F615-E655 HydrophobicContact CD2-CG 3.8Å; F615-E655 HydrophobicContact CE2-CG 4.31Å; F615-E655 HydrophobicContact CG-CB 3.84Å; F615-E655 HydrophobicContact CG-CG 3.9Å; F615-A657 HydrophobicContact CD1-CB 3.37Å; F615-A657 VanDerWaalsContact CD1-CB 3.41Å; F615-A657 HydrophobicContact CE1-CB 3.74Å; F615-A657 HydrophobicContact CG-CB 4.45Å; F615-W689 HydrophobicContact CD1-CZ2 4.48Å; F615-W689 HydrophobicContact CE1-CH2 4.33Å; F615-W689 AromaticContact CE1-CZ2 3.79Å; F615-W689 HydrophobicContact CE1-CZ2 3.93Å; F615-W689 HydrophobicContact CZ-CH2 4.34Å |
| 616 | R | 88.6 | Confident | 90.7 | Very high | 42 Ų | 42 | 27.8 Ų | 27.8 | 16% | 0.158 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -72.4 | -23 | 175.7 | -61.6 | -55.6 | 175.3 | 112.8 | -8.1 | 113 | A567 L568 A613 L614 Y618 E655 R856 A977 | A567-R616 WeakPolarHBondContact O-CB 3.5Å; L568-R616 HydrophobicContact CD2-CG 3.68Å; A613-R616 WeakPolarHBondContact O-CB 3.35Å; A613-R616 PolarHBondContact O-N 2.99Å; L614-R616 PolarHBondContact O-N 3.17Å; L614-R616 VanDerWaalsContact O-N 3.14Å; R616-Y618 VanDerWaalsContact C-N 3.33Å; R616-Y618 PolarHBondContact O-N 2.88Å; R616-E655 IonicContact CZ-OE2 2.77Å; R616-E655 VanDerWaalsContact CZ-OE2 3.32Å; R616-E655 IonicContact NE-OE2 3.17Å; R616-E655 PolarHBondContact NE-OE2 3.27Å; R616-E655 IonicContact NH2-OE1 3.27Å; R616-E655 PolarHBondContact NH2-OE1 3.4Å; R616-E655 IonicContact NH2-OE2 2.84Å; R616-E655 PolarHBondContact NH2-OE2 3.27Å; R616-R856 VanDerWaalsContact CD-NH1 3.34Å; R616-A977 PolarHBondContact NH2-O 3.39Å |
| 617 | L | 91.5 | Very high | 90.6 | Very high | 2.33333 Ų | 2.33333 | 29.8 Ų | 29.8 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -75.3 | -24.5 | -178.2 | -58 | -177.6 | 0 | 0 | 0 | 113.7 | F563 A567 L576 L580 L614 F615 L619 H620 I625 V626 | F563-L617 HydrophobicContact CE2-CD1 3.78Å; F563-L617 HydrophobicContact CZ-CD1 3.79Å; A567-L617 HydrophobicContact CB-CD2 3.76Å; A567-L617 HydrophobicContact CB-CG 4.46Å; L576-L617 HydrophobicContact CD1-CD2 4.18Å; L580-L617 HydrophobicContact CD1-CD1 4.18Å; L580-L617 HydrophobicContact CD2-CD1 3.93Å; L614-L617 HydrophobicContact CD2-CD1 4.15Å; L614-L617 WeakPolarHBondContact O-CB 3.36Å; L614-L617 PolarHBondContact O-N 3.21Å; F615-L617 VanDerWaalsContact C-N 3.29Å; F615-L617 PolarHBondContact O-N 3.4Å; L617-L619 PolarHBondContact O-N 3.14Å; L617-L619 VanDerWaalsContact O-N 3.13Å; L617-H620 WeakPolarHBondContact O-CB 3.4Å; L617-H620 PolarHBondContact O-N 3.38Å; L617-I625 HydrophobicContact CB-CG2 4.03Å; L617-I625 HydrophobicContact CD1-CG2 4.38Å; L617-I625 HydrophobicContact CD2-CG2 3.8Å; L617-I625 HydrophobicContact CG-CG2 4.29Å; L617-V626 WeakPolarHBondContact O-CG2 3.36Å |
| 618 | Y | 90.9 | Very high | 90.5 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -66.2 | -18.2 | -175.5 | -55.6 | -37.3 | 0 | 0 | 0 | 113.8 | F615 R616 V626 M633 A657 H660 H661 W689 | F615-Y618 HydrophobicContact CB-CE2 4.44Å; F615-Y618 HydrophobicContact CD1-CD2 4.23Å; F615-Y618 AromaticContact CD1-CE2 3.6Å; F615-Y618 HydrophobicContact CD1-CE2 3.6Å; F615-Y618 HydrophobicContact CE1-CE2 4.27Å; F615-Y618 HydrophobicContact CG-CE2 4.39Å; R616-Y618 VanDerWaalsContact C-N 3.33Å; R616-Y618 PolarHBondContact O-N 2.88Å; Y618-V626 HydrophobicContact CD1-CG1 4.39Å; Y618-M633 WeakPolarHBondContact OH-CB 3.39Å; Y618-M633 WeakPolarHBondContact OH-CE 3.34Å; Y618-M633 VanDerWaalsContact OH-CG 3.3Å; Y618-M633 WeakPolarHBondContact OH-CG 3.39Å; Y618-A657 HydrophobicContact CD2-CB 4.1Å; Y618-A657 HydrophobicContact CE2-CB 4.15Å; Y618-H660 PolarHBondContact O-NE2 2.87Å; Y618-H660 VanDerWaalsContact O-NE2 3.16Å; Y618-H661 AromaticContact CD1-CE1 3.84Å; Y618-H661 AromaticContact CD1-NE2 3.36Å; Y618-H661 VanDerWaalsContact CD1-NE2 3.29Å; Y618-H661 WeakPolarHBondContact CD1-NE2 3.35Å; Y618-H661 AromaticContact CD2-CD2 3.84Å; Y618-H661 AromaticContact CD2-CE1 3.96Å; Y618-H661 AromaticContact CD2-NE2 3.37Å; Y618-H661 VanDerWaalsContact CD2-NE2 3.3Å; Y618-H661 WeakPolarHBondContact CD2-NE2 3.38Å; Y618-H661 AromaticContact CE1-CE1 3.58Å; Y618-H661 AromaticContact CE1-NE2 3.72Å; Y618-H661 AromaticContact CE2-CE1 3.84Å; Y618-H661 AromaticContact CE2-NE2 3.45Å; Y618-H661 WeakPolarHBondContact CE2-NE2 3.47Å; Y618-H661 AromaticContact CG-CE1 3.94Å; Y618-H661 AromaticContact CG-NE2 3.12Å; Y618-H661 AromaticContact CZ-CE1 3.67Å; Y618-H661 AromaticContact CZ-NE2 3.64Å; Y618-H661 VanDerWaalsContact CZ-NE2 3.32Å; Y618-W689 AromaticContact CE2-CH2 3.84Å; Y618-W689 HydrophobicContact CE2-CH2 3.84Å; Y618-W689 HydrophobicContact CE2-CZ2 4.19Å |
| 619 | L | 85.8 | Confident | 90.6 | Very high | 54.6667 Ų | 54.6667 | 29.3 Ų | 29.3 | 29% | 0.286 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -101.1 | 5.8 | 176.1 | -56.2 | -175.8 | 0 | 0 | 0 | 112.9 | L617 R853 | L617-L619 PolarHBondContact O-N 3.14Å; L617-L619 VanDerWaalsContact O-N 3.13Å; L619-R853 HydrophobicContact CD1-CG 3.84Å; L619-R853 VanDerWaalsContact CD2-CZ 3.48Å; L619-R853 VanDerWaalsContact CD2-NH2 3.32Å |
| 620 | H | 89.4 | Confident | 90.7 | Very high | 25 Ų | 25 | 23.8 Ų | 23.8 | 12% | 0.116 | 12% | 0.123 | C | C | . | . | trans | -71.6 | 137.8 | -179.2 | -170 | -84.2 | 0 | 0 | 0 | 110.3 | S573 L617 S622 I625 V626 | S573-H620 PolarHBondContact OG-CE1 2.94Å; S573-H620 PolarHBondContact OG-NE2 2.98Å; L617-H620 WeakPolarHBondContact O-CB 3.4Å; L617-H620 PolarHBondContact O-N 3.38Å; H620-S622 WeakPolarHBondContact ND1-CB 3.27Å; H620-S622 PolarHBondContact ND1-N 3.22Å; H620-S622 VanDerWaalsContact ND1-N 3.1Å; H620-S622 PolarHBondContact O-N 3.29Å; H620-I625 HydrophobicContact CB-CB 4.41Å; H620-I625 HydrophobicContact CB-CG2 3.86Å; H620-I625 WeakPolarHBondContact CE1-CD1 3.38Å; H620-I625 WeakPolarHBondContact ND1-CD1 3.35Å; H620-V626 WeakPolarHBondContact O-CG2 3.41Å | ||
| 621 | P | 87 | Confident | 90.9 | Very high | 87 Ų | 87 | 23 Ų | 23 | 57% | 0.565 | 12% | 0.121 | S | C | * | . | S | Bend | trans | -65.1 | -8.9 | -177.2 | 25.6 | -36.8 | 0 | 0 | 0 | 114.6 | F247 A327 L623 | F247-P621 HydrophobicContact CE1-CB 4.45Å; A327-P621 HydrophobicContact CB-CG 3.68Å; P621-L623 PolarHBondContact O-N 3.37Å |
| 622 | S | 90.5 | Very high | 91.2 | Very high | 15.6667 Ų | 15.6667 | 22.9 Ų | 22.9 | 11% | 0.11 | 12% | 0.12 | C | C | . | . | trans | -101.9 | 115 | 176.3 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | S331 H620 A624 I625 V626 | S331-S622 WeakPolarHBondContact OG-CA 3.07Å; S331-S622 WeakPolarHBondContact OG-CB 3.44Å; S331-S622 PolarHBondContact OG-OG 2.97Å; S331-S622 VanDerWaalsContact OG-OG 3.05Å; H620-S622 WeakPolarHBondContact ND1-CB 3.27Å; H620-S622 PolarHBondContact ND1-N 3.22Å; H620-S622 VanDerWaalsContact ND1-N 3.1Å; H620-S622 PolarHBondContact O-N 3.29Å; S622-A624 PolarHBondContact O-N 3.38Å; S622-A624 PolarHBondContact OG-N 3.42Å; S622-I625 PolarHBondContact O-N 3.02Å; S622-I625 VanDerWaalsContact O-N 3.09Å; S622-V626 PolarHBondContact O-N 3.08Å | ||
| 623 | L | 89 | Confident | 91.5 | Very high | 63 Ų | 63 | 20.6 Ų | 20.6 | 33% | 0.33 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -60.5 | -26.5 | 177.7 | -63.2 | -179 | 0 | 0 | 0 | 113 | P621 I625 V626 R627 R674 V678 | P621-L623 PolarHBondContact O-N 3.37Å; L623-I625 VanDerWaalsContact C-N 3.31Å; L623-I625 PolarHBondContact O-N 3.39Å; L623-V626 PolarHBondContact O-N 3.47Å; L623-R627 VanDerWaalsContact O-CB 3.28Å; L623-R627 WeakPolarHBondContact O-CB 3.3Å; L623-R627 PolarHBondContact O-N 2.92Å; L623-R674 HydrophobicContact CD1-CB 4.39Å; L623-V678 HydrophobicContact CB-CG2 4.46Å |
| 624 | A | 88.8 | Confident | 91.7 | Very high | 29 Ų | 29 | 23.1 Ų | 23.1 | 24% | 0.24 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.6 | -41.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D334 S622 R627 G628 | D334-A624 HydrophobicContact CB-CB 3.79Å; S622-A624 PolarHBondContact O-N 3.38Å; S622-A624 PolarHBondContact OG-N 3.42Å; A624-R627 PolarHBondContact O-N 3.41Å; A624-G628 PolarHBondContact O-N 3.11Å |
| 625 | I | 93.9 | Very high | 91.7 | Very high | 0.333333 Ų | 0.333333 | 23.3 Ų | 23.3 | 0% | 0.002 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -70.8 | -41.1 | 178.1 | -71.3 | 172.5 | 0 | 0 | 0 | 110.8 | S573 L576 C577 L580 L617 H620 S622 L623 R627 G628 G629 | S573-I625 WeakPolarHBondContact O-CD1 3.47Å; L576-I625 HydrophobicContact CB-CD1 4.18Å; L576-I625 HydrophobicContact CB-CG1 4.47Å; C577-I625 VanDerWaalsContact SG-CG1 3.55Å; L580-I625 HydrophobicContact CD1-CB 4.07Å; L580-I625 HydrophobicContact CD1-CG1 3.99Å; L580-I625 HydrophobicContact CD1-CG2 3.97Å; L617-I625 HydrophobicContact CB-CG2 4.03Å; L617-I625 HydrophobicContact CD1-CG2 4.38Å; L617-I625 HydrophobicContact CD2-CG2 3.8Å; L617-I625 HydrophobicContact CG-CG2 4.29Å; H620-I625 HydrophobicContact CB-CB 4.41Å; H620-I625 HydrophobicContact CB-CG2 3.86Å; H620-I625 WeakPolarHBondContact CE1-CD1 3.38Å; H620-I625 WeakPolarHBondContact ND1-CD1 3.35Å; S622-I625 PolarHBondContact O-N 3.02Å; S622-I625 VanDerWaalsContact O-N 3.09Å; L623-I625 VanDerWaalsContact C-N 3.31Å; L623-I625 PolarHBondContact O-N 3.39Å; I625-R627 VanDerWaalsContact C-N 3.34Å; I625-R627 PolarHBondContact O-N 3.04Å; I625-G628 PolarHBondContact O-N 3.13Å; I625-G629 PolarHBondContact O-N 3.39Å |
| 626 | V | 93.6 | Very high | 91.8 | Very high | 9 Ų | 9 | 23 Ų | 23 | 6% | 0.055 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60 | -47 | 174.3 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | L617 Y618 H620 S622 L623 G629 G630 V678 | L617-V626 WeakPolarHBondContact O-CG2 3.36Å; Y618-V626 HydrophobicContact CD1-CG1 4.39Å; H620-V626 WeakPolarHBondContact O-CG2 3.41Å; S622-V626 PolarHBondContact O-N 3.08Å; L623-V626 PolarHBondContact O-N 3.47Å; V626-G629 PolarHBondContact O-N 3.21Å; V626-G630 PolarHBondContact O-N 3.36Å; V626-V678 HydrophobicContact CG1-CG1 3.88Å; V626-V678 HydrophobicContact CG1-CG2 4.45Å |
| 627 | R | 92.3 | Very high | 91.9 | Very high | 63.6667 Ų | 63.6667 | 21.4 Ų | 21.4 | 24% | 0.24 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.6 | -50.3 | 177 | -177 | -174.8 | 96.1 | -162.3 | -1.1 | 111.3 | D334 L623 A624 I625 G629 G630 M631 V678 L681 M725 P727 | D334-R627 IonicContact OD1-NH2 3.11Å; D334-R627 PolarHBondContact OD1-NH2 3.33Å; L623-R627 VanDerWaalsContact O-CB 3.28Å; L623-R627 WeakPolarHBondContact O-CB 3.3Å; L623-R627 PolarHBondContact O-N 2.92Å; A624-R627 PolarHBondContact O-N 3.41Å; I625-R627 VanDerWaalsContact C-N 3.34Å; I625-R627 PolarHBondContact O-N 3.04Å; R627-G629 PolarHBondContact O-N 3.4Å; R627-G630 PolarHBondContact O-N 3.27Å; R627-M631 HydrophobicContact CG-CE 4.26Å; R627-M631 HydrophobicContact CG-SD 4.3Å; R627-M631 WeakPolarHBondContact O-CG 3.32Å; R627-M631 PolarHBondContact O-N 2.83Å; R627-V678 HydrophobicContact CB-CG2 4.18Å; R627-L681 WeakPolarHBondContact O-CD2 3.38Å; R627-M725 PolarHBondContact NH2-O 3.21Å; R627-P727 VanDerWaalsContact NH2-CD 3.26Å |
| 628 | G | 92.3 | Very high | 91.7 | Very high | 5.66667 Ų | 5.66667 | 22.8 Ų | 22.8 | 6% | 0.058 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.2 | -50.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A624 I625 G630 M631 I632 | A624-G628 PolarHBondContact O-N 3.11Å; I625-G628 PolarHBondContact O-N 3.13Å; G628-G630 VanDerWaalsContact C-N 3.31Å; G628-G630 PolarHBondContact O-N 2.97Å; G628-M631 PolarHBondContact O-N 3.05Å; G628-I632 VanDerWaalsContact O-CG1 3.32Å; G628-I632 WeakPolarHBondContact O-CG1 3.39Å; G628-I632 PolarHBondContact O-N 3.19Å; G628-I632 VanDerWaalsContact O-N 3.11Å |
| 629 | G | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.3 | -36.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I625 V626 R627 M633 | I625-G629 PolarHBondContact O-N 3.39Å; V626-G629 PolarHBondContact O-N 3.21Å; R627-G629 PolarHBondContact O-N 3.4Å; G629-M633 WeakPolarHBondContact O-CB 3.32Å; G629-M633 PolarHBondContact O-N 3.04Å; G629-M633 VanDerWaalsContact O-N 3.12Å |
| 630 | G | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.1 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V626 R627 G628 I632 M633 R634 | V626-G630 PolarHBondContact O-N 3.36Å; R627-G630 PolarHBondContact O-N 3.27Å; G628-G630 VanDerWaalsContact C-N 3.31Å; G628-G630 PolarHBondContact O-N 2.97Å; G630-I632 VanDerWaalsContact C-N 3.33Å; G630-I632 PolarHBondContact O-N 3.24Å; G630-M633 PolarHBondContact O-N 3.26Å; G630-R634 WeakPolarHBondContact O-CB 3.27Å; G630-R634 PolarHBondContact O-N 3.27Å |
| 631 | M | 93.6 | Very high | 91.5 | Very high | 17.6667 Ų | 17.6667 | 21.3 Ų | 21.3 | 9% | 0.087 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.3 | -39.9 | 177.3 | -73.2 | -177 | 31.2 | 0 | 0 | 111.5 | T584 C588 R627 G628 M633 R634 A635 L681 P727 | T584-M631 HydrophobicContact CG2-CE 3.68Å; C588-M631 HydrophobicContact CB-CB 4.35Å; C588-M631 HydrophobicContact CB-CE 3.74Å; C588-M631 VanDerWaalsContact SG-C 3.51Å; C588-M631 PolarHBondContact SG-O 3.16Å; C588-M631 VanDerWaalsContact SG-O 3.37Å; R627-M631 HydrophobicContact CG-CE 4.26Å; R627-M631 HydrophobicContact CG-SD 4.3Å; R627-M631 WeakPolarHBondContact O-CG 3.32Å; R627-M631 PolarHBondContact O-N 2.83Å; G628-M631 PolarHBondContact O-N 3.05Å; M631-M633 VanDerWaalsContact C-N 3.34Å; M631-R634 PolarHBondContact O-N 3.11Å; M631-A635 PolarHBondContact O-N 2.94Å; M631-L681 HydrophobicContact CB-CD1 4.34Å; M631-L681 HydrophobicContact CG-CD1 3.75Å; M631-L681 VanDerWaalsContact CG-CD1 3.49Å; M631-L681 HydrophobicContact CG-CD2 4.24Å; M631-P727 HydrophobicContact CE-CG 4.32Å; M631-P727 HydrophobicContact SD-CG 4.42Å |
| 632 | I | 95.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.6 | -43.1 | 175.7 | -63.6 | 165.6 | 0 | 0 | 0 | 110.4 | L580 F583 L607 L614 G628 G630 R634 A635 L636 | L580-I632 HydrophobicContact CD2-CD1 3.36Å; F583-I632 HydrophobicContact CB-CD1 3.53Å; F583-I632 HydrophobicContact CB-CG1 4.05Å; F583-I632 HydrophobicContact CD2-CD1 3.85Å; F583-I632 HydrophobicContact CG-CD1 4.16Å; L607-I632 HydrophobicContact CD1-CG2 4.12Å; L614-I632 HydrophobicContact CD1-CG2 3.88Å; L614-I632 HydrophobicContact CD2-CB 4.16Å; L614-I632 HydrophobicContact CD2-CD1 4.34Å; L614-I632 HydrophobicContact CD2-CG2 4.05Å; G628-I632 VanDerWaalsContact O-CG1 3.32Å; G628-I632 WeakPolarHBondContact O-CG1 3.39Å; G628-I632 PolarHBondContact O-N 3.19Å; G628-I632 VanDerWaalsContact O-N 3.11Å; G630-I632 VanDerWaalsContact C-N 3.33Å; G630-I632 PolarHBondContact O-N 3.24Å; I632-R634 VanDerWaalsContact C-N 3.34Å; I632-R634 PolarHBondContact O-N 3.3Å; I632-A635 PolarHBondContact O-N 2.83Å; I632-L636 HydrophobicContact CG2-CD1 4.08Å; I632-L636 HydrophobicContact CG2-CG 4.38Å; I632-L636 WeakPolarHBondContact O-CB 3.48Å; I632-L636 WeakPolarHBondContact O-CG 3.22Å; I632-L636 PolarHBondContact O-N 3.12Å |
| 633 | M | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | 177 | -172.1 | 64.7 | 95.8 | 0 | 0 | 112.3 | L614 F615 Y618 G629 G630 M631 A635 L636 I637 L648 L685 W689 | L614-M633 HydrophobicContact CB-CE 3.86Å; L614-M633 HydrophobicContact CB-SD 4.5Å; L614-M633 HydrophobicContact CD1-CE 4.03Å; L614-M633 HydrophobicContact CD1-SD 3.91Å; F615-M633 HydrophobicContact CD1-CE 4.2Å; F615-M633 HydrophobicContact CD2-CE 4.35Å; F615-M633 HydrophobicContact CE1-CE 3.55Å; F615-M633 VanDerWaalsContact CE1-CE 3.47Å; F615-M633 HydrophobicContact CE1-SD 4.49Å; F615-M633 HydrophobicContact CE2-CE 3.75Å; F615-M633 HydrophobicContact CG-CE 4.46Å; F615-M633 HydrophobicContact CZ-CE 3.28Å; F615-M633 VanDerWaalsContact CZ-CE 3.4Å; F615-M633 HydrophobicContact CZ-SD 4.28Å; Y618-M633 WeakPolarHBondContact OH-CB 3.39Å; Y618-M633 WeakPolarHBondContact OH-CE 3.34Å; Y618-M633 VanDerWaalsContact OH-CG 3.3Å; Y618-M633 WeakPolarHBondContact OH-CG 3.39Å; G629-M633 WeakPolarHBondContact O-CB 3.32Å; G629-M633 PolarHBondContact O-N 3.04Å; G629-M633 VanDerWaalsContact O-N 3.12Å; G630-M633 PolarHBondContact O-N 3.26Å; M631-M633 VanDerWaalsContact C-N 3.34Å; M633-A635 VanDerWaalsContact C-N 3.34Å; M633-A635 PolarHBondContact O-N 3.39Å; M633-L636 PolarHBondContact O-N 3.11Å; M633-L636 HydrophobicContact SD-CD1 3.92Å; M633-I637 HydrophobicContact CG-CD1 4.2Å; M633-I637 VanDerWaalsContact O-CG1 3.32Å; M633-I637 WeakPolarHBondContact O-CG1 3.37Å; M633-I637 PolarHBondContact O-N 3.04Å; M633-I637 VanDerWaalsContact O-N 3.13Å; M633-I637 HydrophobicContact SD-CD1 4.1Å; M633-I637 HydrophobicContact SD-CG1 4.45Å; M633-L648 HydrophobicContact CE-CB 4.16Å; M633-L648 HydrophobicContact CE-CD1 4.34Å; M633-L648 HydrophobicContact CE-CD2 4.1Å; M633-L648 HydrophobicContact CE-CG 4.29Å; M633-L648 HydrophobicContact SD-CB 4.23Å; M633-L648 HydrophobicContact SD-CD1 4.18Å; M633-L648 HydrophobicContact SD-CD2 4.15Å; M633-L648 HydrophobicContact SD-CG 4.39Å; M633-L685 HydrophobicContact CB-CD2 4.21Å; M633-L685 HydrophobicContact CG-CD2 3.82Å; M633-W689 HydrophobicContact CE-CH2 3.41Å; M633-W689 VanDerWaalsContact CE-CH2 3.41Å; M633-W689 HydrophobicContact CE-CZ2 4.12Å; M633-W689 HydrophobicContact CE-CZ3 4.37Å; M633-W689 HydrophobicContact CG-CH2 3.55Å; M633-W689 HydrophobicContact CG-CZ2 3.73Å; M633-W689 HydrophobicContact SD-CH2 4.21Å; M633-W689 HydrophobicContact SD-CZ2 4.39Å |
| 634 | R | 93.1 | Very high | 91.5 | Very high | 54.6667 Ų | 54.6667 | 26.4 Ų | 26.4 | 21% | 0.206 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.4 | -49.1 | 172.7 | 175.6 | 173.9 | 173.9 | -133.4 | -25.7 | 110.8 | G630 M631 I632 L636 I637 E638 Q684 L685 L688 | G630-R634 WeakPolarHBondContact O-CB 3.27Å; G630-R634 PolarHBondContact O-N 3.27Å; M631-R634 PolarHBondContact O-N 3.11Å; I632-R634 VanDerWaalsContact C-N 3.34Å; I632-R634 PolarHBondContact O-N 3.3Å; R634-L636 VanDerWaalsContact C-N 3.33Å; R634-L636 PolarHBondContact O-N 3.17Å; R634-I637 PolarHBondContact O-N 3.22Å; R634-E638 HydrophobicContact CG-CG 4.26Å; R634-E638 IonicContact CZ-OE1 3.26Å; R634-E638 IonicContact CZ-OE2 3.05Å; R634-E638 VanDerWaalsContact NE-CD 3.32Å; R634-E638 IonicContact NE-OE1 3.76Å; R634-E638 PolarHBondContact NE-OE1 3.08Å; R634-E638 IonicContact NE-OE2 2.96Å; R634-E638 PolarHBondContact NE-OE2 3.25Å; R634-E638 VanDerWaalsContact NE-OE2 3.1Å; R634-E638 IonicContact NH2-OE1 2.98Å; R634-E638 PolarHBondContact NH2-OE1 3.02Å; R634-E638 IonicContact NH2-OE2 3.07Å; R634-E638 PolarHBondContact NH2-OE2 3.28Å; R634-E638 VanDerWaalsContact NH2-OE2 3.14Å; R634-E638 WeakPolarHBondContact O-CB 3.36Å; R634-E638 WeakPolarHBondContact O-CG 3.25Å; R634-E638 PolarHBondContact O-N 3.16Å; R634-Q684 VanDerWaalsContact CD-OE1 3.3Å; R634-L685 HydrophobicContact CB-CD2 4.11Å; R634-L688 HydrophobicContact CB-CD1 4.41Å; R634-L688 HydrophobicContact CG-CD1 3.89Å |
| 635 | A | 92.4 | Very high | 91.6 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 5% | 0.05 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.4 | -39.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V587 M631 I632 M633 I637 E639 | V587-A635 HydrophobicContact CG2-CB 4.41Å; M631-A635 PolarHBondContact O-N 2.94Å; I632-A635 PolarHBondContact O-N 2.83Å; M633-A635 VanDerWaalsContact C-N 3.34Å; M633-A635 PolarHBondContact O-N 3.39Å; A635-I637 VanDerWaalsContact C-N 3.29Å; A635-I637 PolarHBondContact O-N 3.09Å; A635-E639 WeakPolarHBondContact O-CA 3.38Å; A635-E639 VanDerWaalsContact O-CB 3.26Å; A635-E639 WeakPolarHBondContact O-CB 3.36Å; A635-E639 PolarHBondContact O-N 3.07Å |
| 636 | L | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.9 | -30.3 | 176.8 | -77.1 | 170.1 | 0 | 0 | 0 | 113.6 | L604 L607 A608 L614 I632 M633 R634 G640 L648 | L604-L636 HydrophobicContact CD1-CD2 3.67Å; L604-L636 HydrophobicContact CD1-CG 4.26Å; L604-L636 HydrophobicContact CG-CD2 4.01Å; L604-L636 WeakPolarHBondContact O-CD2 3.42Å; L607-L636 HydrophobicContact CB-CD2 4.13Å; A608-L636 HydrophobicContact CB-CD2 3.9Å; L614-L636 HydrophobicContact CD1-CD1 3.44Å; L614-L636 VanDerWaalsContact CD1-CD1 3.44Å; I632-L636 HydrophobicContact CG2-CD1 4.08Å; I632-L636 HydrophobicContact CG2-CG 4.38Å; I632-L636 WeakPolarHBondContact O-CB 3.48Å; I632-L636 WeakPolarHBondContact O-CG 3.22Å; I632-L636 PolarHBondContact O-N 3.12Å; M633-L636 PolarHBondContact O-N 3.11Å; M633-L636 HydrophobicContact SD-CD1 3.92Å; R634-L636 VanDerWaalsContact C-N 3.33Å; R634-L636 PolarHBondContact O-N 3.17Å; L636-G640 VanDerWaalsContact O-CA 3.3Å; L636-G640 WeakPolarHBondContact O-CA 3.39Å; L636-G640 PolarHBondContact O-N 3.3Å; L636-G640 VanDerWaalsContact O-N 3.09Å; L636-L648 HydrophobicContact CB-CD1 3.66Å; L636-L648 HydrophobicContact CD1-CD1 4.3Å; L636-L648 HydrophobicContact CG-CD1 4.49Å |
| 637 | I | 91 | Very high | 91.4 | Very high | 7.33333 Ų | 7.33333 | 37.7 Ų | 37.7 | 4% | 0.038 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -88.1 | -44.2 | 179.2 | -60.1 | 163.9 | 0 | 0 | 0 | 111.2 | M633 R634 A635 A645 L648 L685 L688 W689 L799 | M633-I637 HydrophobicContact CG-CD1 4.2Å; M633-I637 VanDerWaalsContact O-CG1 3.32Å; M633-I637 WeakPolarHBondContact O-CG1 3.37Å; M633-I637 PolarHBondContact O-N 3.04Å; M633-I637 VanDerWaalsContact O-N 3.13Å; M633-I637 HydrophobicContact SD-CD1 4.1Å; M633-I637 HydrophobicContact SD-CG1 4.45Å; R634-I637 PolarHBondContact O-N 3.22Å; A635-I637 VanDerWaalsContact C-N 3.29Å; A635-I637 PolarHBondContact O-N 3.09Å; I637-A645 HydrophobicContact CG2-CB 4.27Å; I637-L648 HydrophobicContact CG1-CB 4.38Å; I637-L648 HydrophobicContact CG1-CD1 4.29Å; I637-L685 HydrophobicContact CD1-CD2 4.31Å; I637-L688 HydrophobicContact CD1-CB 4.26Å; I637-L688 HydrophobicContact CG2-CB 4.07Å; I637-L688 HydrophobicContact CG2-CD2 4.33Å; I637-W689 HydrophobicContact CD1-CD2 4.18Å; I637-W689 HydrophobicContact CD1-CE3 3.77Å; I637-W689 HydrophobicContact CD1-CH2 3.28Å; I637-W689 HydrophobicContact CD1-CZ2 3.77Å; I637-W689 HydrophobicContact CD1-CZ3 3.29Å; I637-W689 VanDerWaalsContact CD1-NE1 3.29Å; I637-W689 HydrophobicContact CG1-CH2 4.05Å; I637-W689 HydrophobicContact CG1-CZ3 3.93Å; I637-L799 HydrophobicContact CG2-CD1 3.72Å |
| 638 | E | 88.5 | Confident | 91.5 | Very high | 33 Ų | 33 | 34.7 Ų | 34.7 | 15% | 0.154 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71 | -40 | -178.8 | -71.2 | 179.7 | 171.5 | 0 | 0 | 112.2 | R634 L688 R796 H797 L798 | R634-E638 HydrophobicContact CG-CG 4.26Å; R634-E638 IonicContact CZ-OE1 3.26Å; R634-E638 IonicContact CZ-OE2 3.05Å; R634-E638 VanDerWaalsContact NE-CD 3.32Å; R634-E638 IonicContact NE-OE1 3.76Å; R634-E638 PolarHBondContact NE-OE1 3.08Å; R634-E638 IonicContact NE-OE2 2.96Å; R634-E638 PolarHBondContact NE-OE2 3.25Å; R634-E638 VanDerWaalsContact NE-OE2 3.1Å; R634-E638 IonicContact NH2-OE1 2.98Å; R634-E638 PolarHBondContact NH2-OE1 3.02Å; R634-E638 IonicContact NH2-OE2 3.07Å; R634-E638 PolarHBondContact NH2-OE2 3.28Å; R634-E638 VanDerWaalsContact NH2-OE2 3.14Å; R634-E638 WeakPolarHBondContact O-CB 3.36Å; R634-E638 WeakPolarHBondContact O-CG 3.25Å; R634-E638 PolarHBondContact O-N 3.16Å; E638-L688 HydrophobicContact CG-CD1 4Å; E638-L688 HydrophobicContact CG-CD2 3.96Å; E638-R796 CarbonylContact C-O 3.59Å; E638-H797 HydrophobicContact CB-CB 4.43Å; E638-L798 PolarHBondContact O-N 2.88Å |
| 639 | E | 88.9 | Confident | 91.5 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -106.5 | -3.5 | -176.1 | -55.3 | -75.1 | 134.7 | 0 | 0 | 112.6 | F600 L604 A635 R793 P795 R796 H797 | F600-E639 HydrophobicContact CE1-CB 4.2Å; F600-E639 HydrophobicContact CZ-CB 3.76Å; F600-E639 HydrophobicContact CZ-CG 4.01Å; L604-E639 HydrophobicContact CD2-CB 4.1Å; L604-E639 VanDerWaalsContact CD2-O 3.26Å; L604-E639 WeakPolarHBondContact CD2-O 3.43Å; A635-E639 WeakPolarHBondContact O-CA 3.38Å; A635-E639 VanDerWaalsContact O-CB 3.26Å; A635-E639 WeakPolarHBondContact O-CB 3.36Å; A635-E639 PolarHBondContact O-N 3.07Å; E639-R793 IonicContact OE1-NH2 3.02Å; E639-R793 IonicContact OE2-CZ 3.22Å; E639-R793 VanDerWaalsContact OE2-CZ 3.3Å; E639-R793 IonicContact OE2-NH1 3.4Å; E639-R793 PolarHBondContact OE2-NH1 3.32Å; E639-R793 IonicContact OE2-NH2 3.43Å; E639-R793 PolarHBondContact OE2-NH2 3.1Å; E639-P795 VanDerWaalsContact OE1-CA 3.27Å; E639-P795 WeakPolarHBondContact OE1-CA 3.44Å; E639-P795 VanDerWaalsContact OE1-CB 3.23Å; E639-P795 WeakPolarHBondContact OE1-CB 3.3Å; E639-P795 WeakPolarHBondContact OE2-CA 3.48Å; E639-R796 VanDerWaalsContact CD-N 3.26Å; E639-R796 WeakPolarHBondContact O-CD 3.14Å; E639-R796 PolarHBondContact O-NE 3.14Å; E639-R796 PolarHBondContact O-NH1 3.12Å; E639-R796 PolarHBondContact O-NH2 3.18Å; E639-R796 PolarHBondContact OE1-N 3.21Å; E639-R796 WeakPolarHBondContact OE2-CA 3.44Å; E639-R796 WeakPolarHBondContact OE2-CB 3.34Å; E639-R796 PolarHBondContact OE2-N 2.98Å; E639-H797 IonicContact OE1-CE1 2.79Å; E639-H797 IonicContact OE1-CG 3.68Å; E639-H797 PolarHBondContact OE1-N 2.97Å; E639-H797 IonicContact OE1-ND1 3.27Å; E639-H797 PolarHBondContact OE1-ND1 2.89Å; E639-H797 VanDerWaalsContact OE1-ND1 3.11Å |
| 640 | G | 86.8 | Confident | 91.4 | Very high | 14 Ų | 14 | 38.7 Ų | 38.7 | 14% | 0.144 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -70.9 | 176.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L636 R796 L798 | L636-G640 VanDerWaalsContact O-CA 3.3Å; L636-G640 WeakPolarHBondContact O-CA 3.39Å; L636-G640 PolarHBondContact O-N 3.3Å; L636-G640 VanDerWaalsContact O-N 3.09Å; G640-R796 PolarHBondContact O-NH1 2.82Å; G640-L798 WeakPolarHBondContact O-CD1 3.4Å |
| 641 | G | 86.4 | Confident | 91.3 | Very high | 38.3333 Ų | 38.3333 | 39.7 Ų | 39.7 | 40% | 0.395 | 22% | 0.218 | S | C | . | . | trans | -74.8 | 159.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | D643 V644 A645 | G641-D643 PolarHBondContact O-N 3.13Å; G641-V644 PolarHBondContact O-N 3.39Å; G641-A645 PolarHBondContact O-N 3.03Å | ||
| 642 | T | 86.1 | Confident | 91.3 | Very high | 108.333 Ų | 108.333 | 38.9 Ų | 38.9 | 67% | 0.665 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -56.1 | -37.2 | 178.4 | 48.4 | 0 | 0 | 0 | 0 | 112.8 | K646 L798 | T642-K646 WeakPolarHBondContact O-CB 3.43Å; T642-K646 PolarHBondContact O-N 3.19Å; T642-L798 HydrophobicContact CG2-CD1 4.17Å |
| 643 | D | 89.9 | Confident | 91.2 | Very high | 125.333 Ų | 125.333 | 39 Ų | 39 | 67% | 0.67 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -70.8 | -43.5 | -179.6 | -57.7 | -34.8 | 0 | 0 | 0 | 111.7 | G641 A645 K646 E647 | G641-D643 PolarHBondContact O-N 3.13Å; D643-A645 VanDerWaalsContact C-N 3.35Å; D643-A645 PolarHBondContact O-N 3.22Å; D643-K646 PolarHBondContact O-N 3.01Å; D643-E647 WeakPolarHBondContact O-CB 3.21Å; D643-E647 PolarHBondContact O-N 3.35Å |
| 644 | V | 90 | Very high | 91 | Very high | 40 Ų | 40 | 40.2 Ų | 40.2 | 24% | 0.242 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61 | -46.1 | 174.6 | 175 | 0 | 0 | 0 | 0 | 110.1 | A608 G641 K646 E647 L648 | A608-V644 HydrophobicContact CB-CG1 3.66Å; A608-V644 HydrophobicContact CB-CG2 4.3Å; G641-V644 PolarHBondContact O-N 3.39Å; V644-K646 VanDerWaalsContact C-N 3.3Å; V644-K646 PolarHBondContact O-N 3.12Å; V644-E647 PolarHBondContact O-N 3.28Å; V644-L648 HydrophobicContact CG1-CD1 3.8Å; V644-L648 HydrophobicContact CG1-CG 4.32Å; V644-L648 WeakPolarHBondContact O-CB 3.44Å; V644-L648 VanDerWaalsContact O-CG 3.27Å; V644-L648 WeakPolarHBondContact O-CG 3.32Å; V644-L648 PolarHBondContact O-N 3.06Å |
| 645 | A | 90.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.033 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.8 | -43.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I637 G641 D643 E647 L648 R649 | I637-A645 HydrophobicContact CG2-CB 4.27Å; G641-A645 PolarHBondContact O-N 3.03Å; D643-A645 VanDerWaalsContact C-N 3.35Å; D643-A645 PolarHBondContact O-N 3.22Å; A645-E647 PolarHBondContact O-N 3.04Å; A645-L648 PolarHBondContact O-N 2.96Å; A645-R649 WeakPolarHBondContact O-CB 3.27Å; A645-R649 VanDerWaalsContact O-CG 3.23Å; A645-R649 WeakPolarHBondContact O-CG 3.18Å; A645-R649 PolarHBondContact O-N 3.17Å |
| 646 | K | 92 | Very high | 90.8 | Very high | 154 Ų | 154 | 37.9 Ų | 37.9 | 67% | 0.67 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -61.9 | -44.5 | 176.8 | -173.4 | -178.5 | 179.8 | -177.4 | 0 | 112.3 | T642 D643 V644 R649 S650 | T642-K646 WeakPolarHBondContact O-CB 3.43Å; T642-K646 PolarHBondContact O-N 3.19Å; D643-K646 PolarHBondContact O-N 3.01Å; V644-K646 VanDerWaalsContact C-N 3.3Å; V644-K646 PolarHBondContact O-N 3.12Å; K646-R649 PolarHBondContact O-N 3Å; K646-S650 PolarHBondContact O-N 2.99Å; K646-S650 VanDerWaalsContact O-N 3.09Å |
| 647 | E | 92.4 | Very high | 90.8 | Very high | 116 Ų | 116 | 38.1 Ų | 38.1 | 54% | 0.542 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.2 | -49.1 | 176.3 | -172.6 | -173.3 | 165.3 | 0 | 0 | 111.1 | D643 V644 A645 R649 S650 L651 | D643-E647 WeakPolarHBondContact O-CB 3.21Å; D643-E647 PolarHBondContact O-N 3.35Å; V644-E647 PolarHBondContact O-N 3.28Å; A645-E647 PolarHBondContact O-N 3.04Å; E647-R649 VanDerWaalsContact C-N 3.33Å; E647-R649 PolarHBondContact O-N 2.92Å; E647-S650 CarbonylContact O-C 3.28Å; E647-S650 WeakPolarHBondContact O-CB 3.31Å; E647-S650 PolarHBondContact O-N 3.13Å; E647-S650 VanDerWaalsContact O-N 3.14Å; E647-L651 HydrophobicContact CG-CD1 4.13Å; E647-L651 HydrophobicContact CG-CG 4.37Å; E647-L651 WeakPolarHBondContact O-CG 3.21Å; E647-L651 PolarHBondContact O-N 3.42Å |
| 648 | L | 92.7 | Very high | 91 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.8 | -35.4 | -179.8 | -67.5 | 174.6 | 0 | 0 | 0 | 112.7 | F615 M633 L636 I637 V644 A645 L651 A652 W689 | F615-L648 HydrophobicContact CE2-CD2 4.42Å; M633-L648 HydrophobicContact CE-CB 4.16Å; M633-L648 HydrophobicContact CE-CD1 4.34Å; M633-L648 HydrophobicContact CE-CD2 4.1Å; M633-L648 HydrophobicContact CE-CG 4.29Å; M633-L648 HydrophobicContact SD-CB 4.23Å; M633-L648 HydrophobicContact SD-CD1 4.18Å; M633-L648 HydrophobicContact SD-CD2 4.15Å; M633-L648 HydrophobicContact SD-CG 4.39Å; L636-L648 HydrophobicContact CB-CD1 3.66Å; L636-L648 HydrophobicContact CD1-CD1 4.3Å; L636-L648 HydrophobicContact CG-CD1 4.49Å; I637-L648 HydrophobicContact CG1-CB 4.38Å; I637-L648 HydrophobicContact CG1-CD1 4.29Å; V644-L648 HydrophobicContact CG1-CD1 3.8Å; V644-L648 HydrophobicContact CG1-CG 4.32Å; V644-L648 WeakPolarHBondContact O-CB 3.44Å; V644-L648 VanDerWaalsContact O-CG 3.27Å; V644-L648 WeakPolarHBondContact O-CG 3.32Å; V644-L648 PolarHBondContact O-N 3.06Å; A645-L648 PolarHBondContact O-N 2.96Å; L648-L651 HydrophobicContact CD2-CD1 4.41Å; L648-L651 PolarHBondContact O-N 3.04Å; L648-A652 WeakPolarHBondContact O-CB 3.41Å; L648-A652 PolarHBondContact O-N 3.09Å; L648-W689 HydrophobicContact CB-CZ3 4.19Å; L648-W689 VanDerWaalsContact O-CZ3 3.32Å; L648-W689 WeakPolarHBondContact O-CZ3 3.41Å |
| 649 | R | 93.4 | Very high | 91.3 | Very high | 27 Ų | 27 | 36.4 Ų | 36.4 | 10% | 0.102 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.3 | -40.8 | 172.2 | -71.9 | -176 | -170.8 | 112.2 | -7 | 112 | A645 K646 E647 A652 L653 L688 W689 E691 N693 | A645-R649 WeakPolarHBondContact O-CB 3.27Å; A645-R649 VanDerWaalsContact O-CG 3.23Å; A645-R649 WeakPolarHBondContact O-CG 3.18Å; A645-R649 PolarHBondContact O-N 3.17Å; K646-R649 PolarHBondContact O-N 3Å; E647-R649 VanDerWaalsContact C-N 3.33Å; E647-R649 PolarHBondContact O-N 2.92Å; R649-A652 PolarHBondContact O-N 3.03Å; R649-L653 PolarHBondContact O-N 3.43Å; R649-L688 WeakPolarHBondContact CD-O 3.24Å; R649-L688 PolarHBondContact NE-O 3.26Å; R649-W689 HydrophobicContact CB-CE3 4.38Å; R649-W689 HydrophobicContact CG-CE3 3.92Å; R649-W689 HydrophobicContact CG-CZ3 4.34Å; R649-E691 VanDerWaalsContact CD-O 3.27Å; R649-E691 WeakPolarHBondContact CD-O 3.27Å; R649-E691 IonicContact CZ-OE2 2.73Å; R649-E691 PolarHBondContact NE-O 3.05Å; R649-E691 VanDerWaalsContact NE-O 3.14Å; R649-E691 VanDerWaalsContact NH2-CD 3.29Å; R649-E691 IonicContact NH2-OE1 2.72Å; R649-E691 IonicContact NH2-OE2 3.59Å; R649-E691 PolarHBondContact NH2-OE2 3.47Å; R649-N693 PolarHBondContact O-ND2 3.31Å |
| 650 | S | 92.2 | Very high | 91.6 | Very high | 61.3333 Ų | 61.3333 | 37.1 Ų | 37.1 | 43% | 0.429 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.3 | -44.1 | 173.9 | -172.6 | 0 | 0 | 0 | 0 | 111.4 | K646 E647 A652 L653 T654 | K646-S650 PolarHBondContact O-N 2.99Å; K646-S650 VanDerWaalsContact O-N 3.09Å; E647-S650 CarbonylContact O-C 3.28Å; E647-S650 WeakPolarHBondContact O-CB 3.31Å; E647-S650 PolarHBondContact O-N 3.13Å; E647-S650 VanDerWaalsContact O-N 3.14Å; S650-A652 VanDerWaalsContact C-N 3.31Å; S650-A652 PolarHBondContact O-N 2.95Å; S650-L653 WeakPolarHBondContact O-CB 3.39Å; S650-L653 PolarHBondContact O-N 3.18Å; S650-L653 VanDerWaalsContact O-N 3.14Å; S650-T654 PolarHBondContact O-N 3.15Å; S650-T654 VanDerWaalsContact O-N 3.1Å |
| 651 | L | 91.9 | Very high | 92 | Very high | 22.6667 Ų | 22.6667 | 36.6 Ų | 36.6 | 12% | 0.119 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.4 | -35.8 | 178.9 | -72.7 | 173.9 | 0 | 0 | 0 | 112.2 | R612 F615 E647 L648 L653 T654 E655 | R612-L651 HydrophobicContact CB-CD1 4.23Å; R612-L651 HydrophobicContact CG-CD1 4.44Å; R612-L651 HydrophobicContact CG-CD2 4.36Å; F615-L651 HydrophobicContact CD2-CB 4.39Å; F615-L651 HydrophobicContact CE2-CB 3.53Å; F615-L651 VanDerWaalsContact CE2-CB 3.48Å; F615-L651 HydrophobicContact CE2-CD1 4.27Å; F615-L651 HydrophobicContact CE2-CG 4.49Å; F615-L651 HydrophobicContact CZ-CB 3.83Å; E647-L651 HydrophobicContact CG-CD1 4.13Å; E647-L651 HydrophobicContact CG-CG 4.37Å; E647-L651 WeakPolarHBondContact O-CG 3.21Å; E647-L651 PolarHBondContact O-N 3.42Å; L648-L651 HydrophobicContact CD2-CD1 4.41Å; L648-L651 PolarHBondContact O-N 3.04Å; L651-L653 PolarHBondContact O-N 2.92Å; L651-T654 VanDerWaalsContact CA-OG1 3.3Å; L651-T654 WeakPolarHBondContact CA-OG1 3.28Å; L651-T654 CarbonylContact O-C 3.51Å; L651-T654 PolarHBondContact O-N 3.3Å; L651-T654 VanDerWaalsContact O-N 3.12Å; L651-T654 PolarHBondContact O-OG1 3.13Å; L651-T654 VanDerWaalsContact O-OG1 3.1Å; L651-E655 WeakPolarHBondContact O-CB 3.28Å; L651-E655 WeakPolarHBondContact O-CG 3.38Å; L651-E655 PolarHBondContact O-N 3.28Å |
| 652 | A | 94.3 | Very high | 92.5 | Very high | 0.333333 Ų | 0.333333 | 34.8 Ų | 34.8 | 0% | 0.003 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.5 | -30.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F615 L648 R649 S650 A657 L658 W689 | F615-A652 HydrophobicContact CE1-CB 3.8Å; F615-A652 HydrophobicContact CZ-CB 4.11Å; L648-A652 WeakPolarHBondContact O-CB 3.41Å; L648-A652 PolarHBondContact O-N 3.09Å; R649-A652 PolarHBondContact O-N 3.03Å; S650-A652 VanDerWaalsContact C-N 3.31Å; S650-A652 PolarHBondContact O-N 2.95Å; A652-A657 HydrophobicContact CB-CB 4.21Å; A652-A657 PolarHBondContact O-N 3.28Å; A652-L658 PolarHBondContact O-N 3.08Å; A652-L658 VanDerWaalsContact O-N 3.15Å; A652-W689 HydrophobicContact CB-CB 4.43Å; A652-W689 HydrophobicContact CB-CD2 3.53Å; A652-W689 VanDerWaalsContact CB-CE2 3.42Å; A652-W689 HydrophobicContact CB-CE3 3.84Å; A652-W689 VanDerWaalsContact CB-CE3 3.4Å; A652-W689 HydrophobicContact CB-CG 3.9Å; A652-W689 HydrophobicContact CB-CH2 4.13Å; A652-W689 HydrophobicContact CB-CZ2 3.97Å; A652-W689 HydrophobicContact CB-CZ3 4.02Å |
| 653 | L | 93.3 | Very high | 92.9 | Very high | 1.33333 Ų | 1.33333 | 32.8 Ų | 32.8 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -74.1 | -49.3 | 169.2 | -71.5 | 168.2 | 0 | 0 | 0 | 110.8 | R649 S650 L651 E655 G656 L658 N693 D695 A696 L699 W982 Y984 | R649-L653 PolarHBondContact O-N 3.43Å; S650-L653 WeakPolarHBondContact O-CB 3.39Å; S650-L653 PolarHBondContact O-N 3.18Å; S650-L653 VanDerWaalsContact O-N 3.14Å; L651-L653 PolarHBondContact O-N 2.92Å; L653-E655 VanDerWaalsContact C-N 3.28Å; L653-E655 PolarHBondContact O-N 3.15Å; L653-G656 PolarHBondContact O-N 3.18Å; L653-G656 VanDerWaalsContact O-N 3.17Å; L653-L658 HydrophobicContact CD2-CB 4.4Å; L653-L658 HydrophobicContact CD2-CD2 3.56Å; L653-L658 HydrophobicContact CG-CD2 4.4Å; L653-N693 WeakPolarHBondContact CD1-ND2 3.44Å; L653-D695 HydrophobicContact CD1-CB 3.54Å; L653-D695 VanDerWaalsContact CD1-CB 3.49Å; L653-A696 HydrophobicContact CD2-CB 4.44Å; L653-L699 HydrophobicContact CD2-CD2 3.93Å; L653-W982 VanDerWaalsContact O-CE3 3.3Å; L653-Y984 HydrophobicContact CB-CD1 3.8Å; L653-Y984 HydrophobicContact CB-CD2 4.45Å; L653-Y984 HydrophobicContact CB-CE1 3.91Å; L653-Y984 HydrophobicContact CB-CG 4.11Å; L653-Y984 HydrophobicContact CD1-CD2 4.46Å; L653-Y984 HydrophobicContact CD1-CE2 4.24Å; L653-Y984 HydrophobicContact CD2-CD2 4.28Å; L653-Y984 HydrophobicContact CD2-CG 4.26Å |
| 654 | T | 91.1 | Very high | 93.1 | Very high | 26.3333 Ų | 26.3333 | 27.3 Ų | 27.3 | 16% | 0.162 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.9 | -26.9 | -177.5 | 61 | 0 | 0 | 0 | 0 | 114.3 | S650 L651 S981 W982 Y984 | S650-T654 PolarHBondContact O-N 3.15Å; S650-T654 VanDerWaalsContact O-N 3.1Å; L651-T654 VanDerWaalsContact CA-OG1 3.3Å; L651-T654 WeakPolarHBondContact CA-OG1 3.28Å; L651-T654 CarbonylContact O-C 3.51Å; L651-T654 PolarHBondContact O-N 3.3Å; L651-T654 VanDerWaalsContact O-N 3.12Å; L651-T654 PolarHBondContact O-OG1 3.13Å; L651-T654 VanDerWaalsContact O-OG1 3.1Å; T654-S981 WeakPolarHBondContact CA-OG 3.42Å; T654-S981 VanDerWaalsContact CB-OG 3.3Å; T654-S981 WeakPolarHBondContact CB-OG 3.2Å; T654-S981 CarbonylContact O-C 3.43Å; T654-S981 WeakPolarHBondContact O-CA 3.39Å; T654-W982 PolarHBondContact O-N 3.13Å; T654-Y984 HydrophobicContact CG2-CE1 4.4Å |
| 655 | E | 90.9 | Very high | 93.2 | Very high | 10 Ų | 10 | 25.4 Ų | 25.4 | 5% | 0.047 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 5 | 179 | -69.5 | -73.6 | 153.3 | 0 | 0 | 113 | R612 F615 R616 L651 L653 A657 F852 | R612-E655 HydrophobicContact CG-CG 4.47Å; R612-E655 IonicContact CZ-OE1 2.89Å; R612-E655 IonicContact NE-OE1 3.16Å; R612-E655 PolarHBondContact NE-OE1 3.02Å; R612-E655 IonicContact NH2-OE1 3.06Å; R612-E655 PolarHBondContact NH2-OE1 2.96Å; F615-E655 HydrophobicContact CB-CB 3.82Å; F615-E655 HydrophobicContact CB-CG 3.93Å; F615-E655 HydrophobicContact CD1-CB 4.21Å; F615-E655 HydrophobicContact CD2-CB 4.22Å; F615-E655 HydrophobicContact CD2-CG 3.8Å; F615-E655 HydrophobicContact CE2-CG 4.31Å; F615-E655 HydrophobicContact CG-CB 3.84Å; F615-E655 HydrophobicContact CG-CG 3.9Å; R616-E655 IonicContact CZ-OE2 2.77Å; R616-E655 VanDerWaalsContact CZ-OE2 3.32Å; R616-E655 IonicContact NE-OE2 3.17Å; R616-E655 PolarHBondContact NE-OE2 3.27Å; R616-E655 IonicContact NH2-OE1 3.27Å; R616-E655 PolarHBondContact NH2-OE1 3.4Å; R616-E655 IonicContact NH2-OE2 2.84Å; R616-E655 PolarHBondContact NH2-OE2 3.27Å; L651-E655 WeakPolarHBondContact O-CB 3.28Å; L651-E655 WeakPolarHBondContact O-CG 3.38Å; L651-E655 PolarHBondContact O-N 3.28Å; L653-E655 VanDerWaalsContact C-N 3.28Å; L653-E655 PolarHBondContact O-N 3.15Å; E655-A657 PolarHBondContact O-N 2.99Å; E655-A657 VanDerWaalsContact O-N 3.17Å; E655-F852 WeakPolarHBondContact O-CE1 3.39Å |
| 656 | G | 91.2 | Very high | 93.3 | Very high | 2.33333 Ų | 2.33333 | 25.5 Ų | 25.5 | 2% | 0.024 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 11.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L653 L659 H660 | L653-G656 PolarHBondContact O-N 3.18Å; L653-G656 VanDerWaalsContact O-N 3.17Å; G656-L659 PolarHBondContact O-N 3.1Å; G656-H660 WeakPolarHBondContact O-CB 3.28Å; G656-H660 PolarHBondContact O-N 3.25Å; G656-H660 VanDerWaalsContact O-N 3.1Å |
| 657 | A | 93.5 | Very high | 93.4 | Very high | 4 Ų | 4 | 18.9 Ų | 18.9 | 3% | 0.033 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -73 | -36 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F615 Y618 A652 E655 L659 H660 H661 W689 | F615-A657 HydrophobicContact CD1-CB 3.37Å; F615-A657 VanDerWaalsContact CD1-CB 3.41Å; F615-A657 HydrophobicContact CE1-CB 3.74Å; F615-A657 HydrophobicContact CG-CB 4.45Å; Y618-A657 HydrophobicContact CD2-CB 4.1Å; Y618-A657 HydrophobicContact CE2-CB 4.15Å; A652-A657 HydrophobicContact CB-CB 4.21Å; A652-A657 PolarHBondContact O-N 3.28Å; E655-A657 PolarHBondContact O-N 2.99Å; E655-A657 VanDerWaalsContact O-N 3.17Å; A657-L659 VanDerWaalsContact C-N 3.33Å; A657-L659 PolarHBondContact O-N 3.17Å; A657-H660 PolarHBondContact O-N 3.37Å; A657-H661 WeakPolarHBondContact O-CB 3.32Å; A657-H661 PolarHBondContact O-CD2 3.37Å; A657-H661 PolarHBondContact O-N 3.11Å; A657-W689 HydrophobicContact CB-CH2 3.85Å; A657-W689 HydrophobicContact CB-CZ3 4.17Å; A657-W689 WeakPolarHBondContact O-CZ3 3.36Å |
| 658 | L | 95.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.3 | -46.5 | 173.8 | -179.4 | 61.8 | 0 | 0 | 0 | 110.8 | A652 L653 H660 H661 F662 V686 W689 A696 L699 F700 | A652-L658 PolarHBondContact O-N 3.08Å; A652-L658 VanDerWaalsContact O-N 3.15Å; L653-L658 HydrophobicContact CD2-CB 4.4Å; L653-L658 HydrophobicContact CD2-CD2 3.56Å; L653-L658 HydrophobicContact CG-CD2 4.4Å; L658-H660 PolarHBondContact O-N 2.8Å; L658-H661 PolarHBondContact O-N 3.25Å; L658-F662 VanDerWaalsContact O-CB 3.22Å; L658-F662 WeakPolarHBondContact O-CB 3.4Å; L658-F662 PolarHBondContact O-N 3.03Å; L658-V686 HydrophobicContact CD1-CB 4.5Å; L658-V686 HydrophobicContact CD1-CG1 4.5Å; L658-V686 HydrophobicContact CD1-CG2 4.33Å; L658-W689 HydrophobicContact CB-CE3 4.32Å; L658-W689 HydrophobicContact CD1-CB 3.83Å; L658-W689 HydrophobicContact CD1-CE3 3.93Å; L658-W689 HydrophobicContact CD1-CG 4.14Å; L658-A696 HydrophobicContact CD2-CB 3.72Å; L658-L699 HydrophobicContact CD2-CD2 4.03Å; L658-F700 HydrophobicContact CD1-CZ 4.11Å; L658-F700 HydrophobicContact CD2-CZ 4.28Å; L658-F700 HydrophobicContact CG-CZ 4.38Å |
| 659 | L | 95 | Very high | 92.5 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.9 | -47.5 | 177.2 | -174.9 | 70.2 | 0 | 0 | 0 | 111.3 | G656 A657 F662 W663 M703 M845 E848 L849 W982 F987 | G656-L659 PolarHBondContact O-N 3.1Å; A657-L659 VanDerWaalsContact C-N 3.33Å; A657-L659 PolarHBondContact O-N 3.17Å; L659-F662 PolarHBondContact O-N 3.12Å; L659-W663 PolarHBondContact O-N 3.13Å; L659-M703 HydrophobicContact CD1-CE 3.59Å; L659-M703 HydrophobicContact CD1-SD 4Å; L659-M845 HydrophobicContact CD1-CB 4.3Å; L659-M845 HydrophobicContact CD1-CG 3.74Å; L659-M845 HydrophobicContact CD1-SD 3.53Å; L659-M845 WeakPolarHBondContact CD1-SD 3.43Å; L659-M845 HydrophobicContact CG-SD 4.38Å; L659-E848 HydrophobicContact CD2-CB 4.22Å; L659-E848 HydrophobicContact CD2-CG 3.91Å; L659-L849 HydrophobicContact CB-CD2 4.3Å; L659-L849 HydrophobicContact CD2-CB 4.25Å; L659-L849 HydrophobicContact CD2-CD2 3.83Å; L659-L849 HydrophobicContact CD2-CG 3.8Å; L659-L849 HydrophobicContact CG-CD1 4.44Å; L659-L849 HydrophobicContact CG-CD2 4.05Å; L659-L849 HydrophobicContact CG-CG 4.12Å; L659-W982 HydrophobicContact CB-CE3 4.46Å; L659-W982 HydrophobicContact CB-CH2 3.74Å; L659-W982 HydrophobicContact CB-CZ2 4.34Å; L659-W982 HydrophobicContact CB-CZ3 3.83Å; L659-W982 HydrophobicContact CD1-CH2 4.08Å; L659-W982 HydrophobicContact CD1-CZ2 4.36Å; L659-W982 HydrophobicContact CD2-CH2 3.89Å; L659-W982 HydrophobicContact CD2-CZ2 3.63Å; L659-W982 HydrophobicContact CG-CH2 4.12Å; L659-W982 HydrophobicContact CG-CZ2 4.35Å; L659-F987 HydrophobicContact CD1-CD1 4.39Å; L659-F987 HydrophobicContact CD1-CE1 3.78Å; L659-F987 HydrophobicContact CD1-CZ 4.44Å; L659-F987 HydrophobicContact CD2-CE1 4.44Å |
| 660 | H | 94.4 | Very high | 91.6 | Very high | 18.3333 Ų | 18.3333 | 23.1 Ų | 23.1 | 9% | 0.085 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.3 | -48.9 | -179.7 | 178.7 | 61.1 | 0 | 0 | 0 | 112.7 | Y618 G656 A657 L658 F662 W663 T664 L849 R853 | Y618-H660 PolarHBondContact O-NE2 2.87Å; Y618-H660 VanDerWaalsContact O-NE2 3.16Å; G656-H660 WeakPolarHBondContact O-CB 3.28Å; G656-H660 PolarHBondContact O-N 3.25Å; G656-H660 VanDerWaalsContact O-N 3.1Å; A657-H660 PolarHBondContact O-N 3.37Å; L658-H660 PolarHBondContact O-N 2.8Å; H660-F662 VanDerWaalsContact C-N 3.31Å; H660-F662 PolarHBondContact O-N 3.07Å; H660-W663 WeakPolarHBondContact O-CB 3.36Å; H660-W663 PolarHBondContact O-N 3.02Å; H660-T664 PolarHBondContact O-N 3.29Å; H660-T664 PolarHBondContact O-OG1 3.32Å; H660-T664 VanDerWaalsContact O-OG1 3.06Å; H660-L849 HydrophobicContact CB-CD1 4.4Å; H660-L849 HydrophobicContact CB-CD2 4.03Å; H660-R853 PolarHBondContact ND1-NH2 3.36Å |
| 661 | H | 95.6 | Very high | 90.7 | Very high | 2.33333 Ų | 2.33333 | 27.3 Ų | 27.3 | 1% | 0.011 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.9 | -30.3 | 177.8 | -77.2 | -70.1 | 0 | 0 | 0 | 112.6 | Y618 A657 L658 T664 A665 S682 L685 V686 W689 | Y618-H661 AromaticContact CD1-CE1 3.84Å; Y618-H661 AromaticContact CD1-NE2 3.36Å; Y618-H661 VanDerWaalsContact CD1-NE2 3.29Å; Y618-H661 WeakPolarHBondContact CD1-NE2 3.35Å; Y618-H661 AromaticContact CD2-CD2 3.84Å; Y618-H661 AromaticContact CD2-CE1 3.96Å; Y618-H661 AromaticContact CD2-NE2 3.37Å; Y618-H661 VanDerWaalsContact CD2-NE2 3.3Å; Y618-H661 WeakPolarHBondContact CD2-NE2 3.38Å; Y618-H661 AromaticContact CE1-CE1 3.58Å; Y618-H661 AromaticContact CE1-NE2 3.72Å; Y618-H661 AromaticContact CE2-CE1 3.84Å; Y618-H661 AromaticContact CE2-NE2 3.45Å; Y618-H661 WeakPolarHBondContact CE2-NE2 3.47Å; Y618-H661 AromaticContact CG-CE1 3.94Å; Y618-H661 AromaticContact CG-NE2 3.12Å; Y618-H661 AromaticContact CZ-CE1 3.67Å; Y618-H661 AromaticContact CZ-NE2 3.64Å; Y618-H661 VanDerWaalsContact CZ-NE2 3.32Å; A657-H661 WeakPolarHBondContact O-CB 3.32Å; A657-H661 PolarHBondContact O-CD2 3.37Å; A657-H661 PolarHBondContact O-N 3.11Å; L658-H661 PolarHBondContact O-N 3.25Å; H661-T664 PolarHBondContact O-N 3.4Å; H661-A665 WeakPolarHBondContact O-CB 3.28Å; H661-A665 PolarHBondContact O-N 3.23Å; H661-S682 VanDerWaalsContact ND1-CB 3.28Å; H661-S682 WeakPolarHBondContact ND1-CB 3.42Å; H661-S682 PolarHBondContact ND1-OG 3.5Å; H661-S682 VanDerWaalsContact O-CB 3.3Å; H661-S682 WeakPolarHBondContact O-CB 3.4Å; H661-S682 PolarHBondContact O-OG 3.38Å; H661-S682 VanDerWaalsContact O-OG 3.12Å; H661-L685 VanDerWaalsContact CE1-CD1 3.4Å; H661-L685 WeakPolarHBondContact CE1-CD1 3.23Å; H661-L685 WeakPolarHBondContact NE2-CD1 3.45Å; H661-V686 HydrophobicContact CB-CG2 4.19Å; H661-W689 HydrophobicContact CB-CZ3 3.89Å; H661-W689 AromaticContact CD2-CH2 3.47Å; H661-W689 VanDerWaalsContact CD2-CH2 3.44Å; H661-W689 WeakPolarHBondContact CD2-CH2 3.2Å; H661-W689 AromaticContact CD2-CZ3 3.52Å; H661-W689 AromaticContact CD2-NE1 3.4Å; H661-W689 PolarHBondContact CD2-NE1 3.42Å; H661-W689 AromaticContact CG-CZ3 3.89Å |
| 662 | F | 96.2 | Very high | 90.1 | Very high | 0.666667 Ų | 0.666667 | 27.7 Ų | 27.7 | 0% | 0.003 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.5 | -43.9 | 171.9 | -173 | -102.6 | 0 | 0 | 0 | 111.4 | L658 L659 H660 T664 A665 C666 V686 F700 M703 L704 W815 F818 F819 F822 M845 | L658-F662 VanDerWaalsContact O-CB 3.22Å; L658-F662 WeakPolarHBondContact O-CB 3.4Å; L658-F662 PolarHBondContact O-N 3.03Å; L659-F662 PolarHBondContact O-N 3.12Å; H660-F662 VanDerWaalsContact C-N 3.31Å; H660-F662 PolarHBondContact O-N 3.07Å; F662-T664 PolarHBondContact O-N 3.29Å; F662-A665 WeakPolarHBondContact O-CB 3.38Å; F662-A665 PolarHBondContact O-N 2.99Å; F662-C666 VanDerWaalsContact CZ-SG 3.58Å; F662-C666 WeakPolarHBondContact O-CB 3.45Å; F662-C666 PolarHBondContact O-N 2.89Å; F662-C666 VanDerWaalsContact O-N 3.11Å; F662-C666 PolarHBondContact O-SG 3.11Å; F662-V686 HydrophobicContact CB-CG2 4.11Å; F662-V686 HydrophobicContact CD2-CG1 4.09Å; F662-V686 HydrophobicContact CD2-CG2 4.32Å; F662-F700 AromaticContact CD2-CE1 3.69Å; F662-F700 HydrophobicContact CD2-CE1 3.69Å; F662-F700 HydrophobicContact CD2-CZ 4.28Å; F662-F700 HydrophobicContact CE2-CD1 4.49Å; F662-F700 AromaticContact CE2-CE1 3.9Å; F662-F700 HydrophobicContact CE2-CE1 3.9Å; F662-F700 HydrophobicContact CG-CE1 4.07Å; F662-F700 HydrophobicContact CZ-CE1 4.45Å; F662-M703 HydrophobicContact CD1-CE 3.97Å; F662-M703 HydrophobicContact CE1-CE 4.23Å; F662-L704 HydrophobicContact CE1-CD1 4.33Å; F662-L704 HydrophobicContact CE1-CD2 4.15Å; F662-L704 HydrophobicContact CE2-CD1 4.36Å; F662-L704 HydrophobicContact CZ-CD1 3.7Å; F662-L704 HydrophobicContact CZ-CD2 4.03Å; F662-L704 HydrophobicContact CZ-CG 4.38Å; F662-W815 HydrophobicContact CE2-CZ3 4.3Å; F662-F818 AromaticContact CE2-CE1 3.8Å; F662-F818 HydrophobicContact CE2-CE1 3.8Å; F662-F818 HydrophobicContact CE2-CZ 4.11Å; F662-F818 AromaticContact CZ-CE1 3.98Å; F662-F818 HydrophobicContact CZ-CE1 4.01Å; F662-F818 AromaticContact CZ-CZ 3.96Å; F662-F818 HydrophobicContact CZ-CZ 3.96Å; F662-F819 HydrophobicContact CD2-CE1 4.45Å; F662-F819 HydrophobicContact CE2-CE1 4.29Å; F662-F822 HydrophobicContact CZ-CE2 4.4Å; F662-M845 HydrophobicContact CD1-CE 4.09Å; F662-M845 HydrophobicContact CD1-SD 3.85Å; F662-M845 HydrophobicContact CE1-CE 4.32Å; F662-M845 HydrophobicContact CE1-SD 4.41Å |
| 663 | W | 95.1 | Very high | 89.5 | Confident | 67.3333 Ų | 67.3333 | 30.9 Ų | 30.9 | 26% | 0.255 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -58 | -48.5 | 171.6 | 176.4 | 94.8 | 0 | 0 | 0 | 111.4 | L659 H660 A665 C666 F667 M845 E846 L849 | L659-W663 PolarHBondContact O-N 3.13Å; H660-W663 WeakPolarHBondContact O-CB 3.36Å; H660-W663 PolarHBondContact O-N 3.02Å; W663-A665 VanDerWaalsContact C-N 3.33Å; W663-A665 PolarHBondContact O-N 3.04Å; W663-C666 PolarHBondContact O-N 3.33Å; W663-F667 AromaticContact CD1-CD2 3.63Å; W663-F667 HydrophobicContact CD2-CB 4.48Å; W663-F667 HydrophobicContact CG-CD2 4.16Å; W663-F667 AromaticContact NE1-CD2 3.95Å; W663-F667 WeakPolarHBondContact O-CB 3.26Å; W663-F667 PolarHBondContact O-N 3.13Å; W663-M845 HydrophobicContact CB-CE 4.02Å; W663-M845 HydrophobicContact CB-SD 4.47Å; W663-M845 HydrophobicContact CG-CE 4.42Å; W663-E846 HydrophobicContact CZ2-CG 4.46Å; W663-E846 WeakPolarHBondContact CZ2-OE1 3.4Å; W663-E846 VanDerWaalsContact NE1-CG 3.32Å; W663-E846 PolarHBondContact NE1-OE1 2.97Å; W663-L849 HydrophobicContact CB-CD1 4.36Å |
| 664 | T | 93.3 | Very high | 89.1 | Confident | 8.66667 Ų | 8.66667 | 34.6 Ų | 34.6 | 5% | 0.053 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.8 | -43.1 | 177.4 | -55.4 | 0 | 0 | 0 | 0 | 112 | H660 H661 F662 C666 T668 V678 Q679 S682 | H660-T664 PolarHBondContact O-N 3.29Å; H660-T664 PolarHBondContact O-OG1 3.32Å; H660-T664 VanDerWaalsContact O-OG1 3.06Å; H661-T664 PolarHBondContact O-N 3.4Å; F662-T664 PolarHBondContact O-N 3.29Å; T664-C666 VanDerWaalsContact C-N 3.32Å; T664-C666 PolarHBondContact O-N 3.43Å; T664-T668 WeakPolarHBondContact CG2-OG1 3.42Å; T664-T668 VanDerWaalsContact O-CB 3.31Å; T664-T668 WeakPolarHBondContact O-CB 3.35Å; T664-T668 PolarHBondContact O-N 2.93Å; T664-T668 PolarHBondContact O-OG1 3.04Å; T664-V678 HydrophobicContact CG2-CG1 3.98Å; T664-Q679 PolarHBondContact O-NE2 3.18Å; T664-S682 WeakPolarHBondContact CG2-OG 3.45Å |
| 665 | A | 93.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.5 | -36.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | H661 F662 W663 Q679 S682 R683 F819 | H661-A665 WeakPolarHBondContact O-CB 3.28Å; H661-A665 PolarHBondContact O-N 3.23Å; F662-A665 WeakPolarHBondContact O-CB 3.38Å; F662-A665 PolarHBondContact O-N 2.99Å; W663-A665 VanDerWaalsContact C-N 3.33Å; W663-A665 PolarHBondContact O-N 3.04Å; A665-Q679 PolarHBondContact O-NE2 3.28Å; A665-S682 VanDerWaalsContact CA-OG 3.26Å; A665-S682 WeakPolarHBondContact CA-OG 3.38Å; A665-S682 WeakPolarHBondContact CB-OG 3.49Å; A665-S682 PolarHBondContact N-OG 3.23Å; A665-S682 VanDerWaalsContact N-OG 3.14Å; A665-R683 HydrophobicContact CB-CB 4.46Å; A665-R683 HydrophobicContact CB-CG 3.57Å; A665-R683 PolarHBondContact O-NE 3.03Å; A665-R683 VanDerWaalsContact O-NE 3.1Å; A665-R683 PolarHBondContact O-NH2 2.89Å; A665-F819 HydrophobicContact CB-CD1 4.41Å; A665-F819 HydrophobicContact CB-CE1 3.62Å; A665-F819 HydrophobicContact CB-CZ 3.81Å |
| 666 | C | 92.7 | Very high | 88.7 | Confident | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -92.4 | -38.3 | -175 | -72.2 | 0 | 0 | 0 | 0 | 114.1 | F662 W663 T664 F822 Q823 | F662-C666 VanDerWaalsContact CZ-SG 3.58Å; F662-C666 WeakPolarHBondContact O-CB 3.45Å; F662-C666 PolarHBondContact O-N 2.89Å; F662-C666 VanDerWaalsContact O-N 3.11Å; F662-C666 PolarHBondContact O-SG 3.11Å; W663-C666 PolarHBondContact O-N 3.33Å; T664-C666 VanDerWaalsContact C-N 3.32Å; T664-C666 PolarHBondContact O-N 3.43Å; C666-F822 HydrophobicContact CB-CD1 4.14Å; C666-F822 HydrophobicContact CB-CE1 3.5Å; C666-F822 VanDerWaalsContact CB-CE1 3.45Å; C666-F822 HydrophobicContact CB-CE2 4.14Å; C666-F822 HydrophobicContact CB-CZ 3.5Å; C666-F822 VanDerWaalsContact CB-CZ 3.48Å; C666-F822 VanDerWaalsContact SG-CE2 3.59Å; C666-F822 VanDerWaalsContact SG-CZ 3.58Å; C666-Q823 PolarHBondContact O-NE2 3.31Å |
| 667 | F | 92.4 | Very high | 88.5 | Confident | 16.6667 Ų | 16.6667 | 36 Ų | 36 | 7% | 0.073 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -118 | -1.6 | -165 | -63.9 | -62.4 | 0 | 0 | 0 | 115.6 | W663 Q669 F822 R838 L841 R842 M845 | W663-F667 AromaticContact CD1-CD2 3.63Å; W663-F667 HydrophobicContact CD2-CB 4.48Å; W663-F667 HydrophobicContact CG-CD2 4.16Å; W663-F667 AromaticContact NE1-CD2 3.95Å; W663-F667 WeakPolarHBondContact O-CB 3.26Å; W663-F667 PolarHBondContact O-N 3.13Å; F667-Q669 PolarHBondContact O-N 3.06Å; F667-Q669 VanDerWaalsContact O-N 3.16Å; F667-F822 HydrophobicContact CD1-CE1 4.48Å; F667-F822 AromaticContact CE1-CE1 3.92Å; F667-F822 HydrophobicContact CE1-CE1 4.07Å; F667-F822 AromaticContact CE1-CZ 3.99Å; F667-F822 HydrophobicContact CE1-CZ 4.02Å; F667-F822 HydrophobicContact CE2-CZ 4.19Å; F667-F822 HydrophobicContact CZ-CE1 4.2Å; F667-F822 AromaticContact CZ-CZ 3.69Å; F667-F822 HydrophobicContact CZ-CZ 3.69Å; F667-R838 HydrophobicContact CE1-CB 4.45Å; F667-R838 VanDerWaalsContact CZ-O 3.27Å; F667-R838 WeakPolarHBondContact CZ-O 3.34Å; F667-L841 HydrophobicContact CE2-CD2 4.45Å; F667-L841 HydrophobicContact CE2-CG 4.41Å; F667-L841 HydrophobicContact CZ-CD2 4.3Å; F667-L841 HydrophobicContact CZ-CG 4.37Å; F667-R842 HydrophobicContact CD1-CB 4.27Å; F667-R842 HydrophobicContact CD1-CG 4.25Å; F667-R842 HydrophobicContact CD2-CB 4.23Å; F667-R842 HydrophobicContact CD2-CG 3.96Å; F667-R842 HydrophobicContact CE1-CB 3.96Å; F667-R842 HydrophobicContact CE1-CG 4.28Å; F667-R842 HydrophobicContact CE2-CB 3.83Å; F667-R842 HydrophobicContact CE2-CG 4.08Å; F667-R842 HydrophobicContact CG-CB 4.46Å; F667-R842 HydrophobicContact CG-CG 4.04Å; F667-R842 HydrophobicContact CZ-CB 3.67Å; F667-R842 HydrophobicContact CZ-CG 4.27Å; F667-M845 HydrophobicContact CD2-CE 3.97Å; F667-M845 HydrophobicContact CE2-CE 3.45Å; F667-M845 HydrophobicContact CZ-CE 4.49Å |
| 668 | T | 88.5 | Confident | 88.4 | Confident | 29 Ų | 29 | 36.3 Ų | 36.3 | 18% | 0.178 | 20% | 0.196 | C | C | . | . | trans | -61.6 | 120.2 | 167 | -62.9 | 0 | 0 | 0 | 0 | 109.7 | T664 Q679 | T664-T668 WeakPolarHBondContact CG2-OG1 3.42Å; T664-T668 VanDerWaalsContact O-CB 3.31Å; T664-T668 WeakPolarHBondContact O-CB 3.35Å; T664-T668 PolarHBondContact O-N 2.93Å; T664-T668 PolarHBondContact O-OG1 3.04Å; T668-Q679 HydrophobicContact CG2-CB 4.21Å; T668-Q679 PolarHBondContact O-NE2 3.07Å | ||
| 669 | Q | 78.5 | Confident | 88.2 | Confident | 156.667 Ų | 156.667 | 37 Ų | 37 | 73% | 0.732 | 20% | 0.199 | S | C | * | . | trans | -115.5 | 153.6 | 178.6 | -67.8 | -179.9 | 0.1 | 0 | 0 | 110.2 | F667 | F667-Q669 PolarHBondContact O-N 3.06Å; F667-Q669 VanDerWaalsContact O-N 3.16Å | ||
| 670 | G | 74 | Confident | 88.1 | Confident | 46.6667 Ų | 46.6667 | 38.2 Ų | 38.2 | 48% | 0.481 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 109.6 | 168.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 671 | N | 74.5 | Confident | 87.9 | Confident | 149.667 Ų | 149.667 | 37.5 Ų | 37.5 | 80% | 0.8 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -101.6 | 6.6 | -175.5 | -65.6 | -11.4 | 0 | 0 | 0 | 113.3 | P673 | N671-P673 WeakPolarHBondContact O-CD 3.35Š|
| 672 | D | 79.3 | Confident | 87.9 | Confident | 31.3333 Ų | 31.3333 | 37.4 Ų | 37.4 | 17% | 0.168 | 20% | 0.201 | C | C | . | . | trans | -64 | 118.7 | 179.1 | 177.9 | 1.2 | 0 | 0 | 0 | 109.8 | Q244 R674 S675 L676 | Q244-D672 VanDerWaalsContact CD-CG 3.49Å; Q244-D672 HydrophobicContact CG-CB 4.42Å; Q244-D672 PolarHBondContact NE2-OD1 2.94Å; D672-R674 PolarHBondContact O-N 3.15Å; D672-R674 VanDerWaalsContact O-N 3.1Å; D672-R674 VanDerWaalsContact OD1-CB 3.3Å; D672-R674 WeakPolarHBondContact OD1-CB 3.39Å; D672-R674 WeakPolarHBondContact OD1-CG 3.43Å; D672-R674 IonicContact OD1-CZ 3.66Å; D672-R674 PolarHBondContact OD1-N 3.12Å; D672-R674 IonicContact OD1-NE 3.15Å; D672-R674 PolarHBondContact OD1-NE 2.95Å; D672-R674 IonicContact OD1-NH2 3.51Å; D672-R674 IonicContact OD2-CZ 3.83Å; D672-R674 IonicContact OD2-NE 2.95Å; D672-R674 PolarHBondContact OD2-NE 3.39Å; D672-R674 IonicContact OD2-NH2 2.93Å; D672-R674 PolarHBondContact OD2-NH2 3.18Å; D672-S675 PolarHBondContact O-N 3.43Å; D672-S675 VanDerWaalsContact O-N 3.12Å; D672-S675 PolarHBondContact O-OG 3.09Å; D672-S675 PolarHBondContact OD2-OG 3.05Å; D672-L676 WeakPolarHBondContact O-CB 3.21Å; D672-L676 WeakPolarHBondContact O-CG 3.11Å; D672-L676 PolarHBondContact O-N 2.99Å | ||
| 673 | P | 80.8 | Confident | 87.8 | Confident | 68.3333 Ų | 68.3333 | 39.9 Ų | 39.9 | 44% | 0.444 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.1 | -28.1 | 179.8 | 23.3 | -34.7 | 0 | 0 | 0 | 112.8 | N671 A677 M725 | N671-P673 WeakPolarHBondContact O-CD 3.35Å; P673-A677 VanDerWaalsContact O-CB 3.27Å; P673-A677 WeakPolarHBondContact O-CB 3.39Å; P673-A677 PolarHBondContact O-N 3.17Å; P673-M725 HydrophobicContact CB-SD 4.42Å |
| 674 | R | 84.5 | Confident | 87.6 | Confident | 78 Ų | 78 | 38.9 Ų | 38.9 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -72.1 | -44 | 178.9 | -58.6 | 170.7 | -88.2 | 169.5 | 6.8 | 111.9 | Q244 L623 D672 L676 A677 V678 | Q244-R674 VanDerWaalsContact CD-NH2 3.32Å; L623-R674 HydrophobicContact CD1-CB 4.39Å; D672-R674 PolarHBondContact O-N 3.15Å; D672-R674 VanDerWaalsContact O-N 3.1Å; D672-R674 VanDerWaalsContact OD1-CB 3.3Å; D672-R674 WeakPolarHBondContact OD1-CB 3.39Å; D672-R674 WeakPolarHBondContact OD1-CG 3.43Å; D672-R674 IonicContact OD1-CZ 3.66Å; D672-R674 PolarHBondContact OD1-N 3.12Å; D672-R674 IonicContact OD1-NE 3.15Å; D672-R674 PolarHBondContact OD1-NE 2.95Å; D672-R674 IonicContact OD1-NH2 3.51Å; D672-R674 IonicContact OD2-CZ 3.83Å; D672-R674 IonicContact OD2-NE 2.95Å; D672-R674 PolarHBondContact OD2-NE 3.39Å; D672-R674 IonicContact OD2-NH2 2.93Å; D672-R674 PolarHBondContact OD2-NH2 3.18Å; R674-L676 VanDerWaalsContact C-N 3.35Å; R674-A677 PolarHBondContact O-N 2.94Å; R674-V678 WeakPolarHBondContact O-CG2 3.24Å; R674-V678 PolarHBondContact O-N 3.29Å; R674-V678 VanDerWaalsContact O-N 3.1Å |
| 675 | S | 86.3 | Confident | 87.7 | Confident | 22 Ų | 22 | 38.5 Ų | 38.5 | 15% | 0.154 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69 | -38.3 | 176.4 | 38 | 0 | 0 | 0 | 0 | 111 | D672 A677 V678 Q679 | D672-S675 PolarHBondContact O-N 3.43Å; D672-S675 VanDerWaalsContact O-N 3.12Å; D672-S675 PolarHBondContact O-OG 3.09Å; D672-S675 PolarHBondContact OD2-OG 3.05Å; S675-A677 PolarHBondContact O-N 2.86Å; S675-V678 PolarHBondContact O-N 3.09Å; S675-Q679 WeakPolarHBondContact O-CB 3.3Å; S675-Q679 PolarHBondContact O-N 2.98Å |
| 676 | L | 87.3 | Confident | 87.7 | Confident | 44 Ų | 44 | 38.5 Ų | 38.5 | 23% | 0.23 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.9 | -38.4 | 174 | -67.9 | 176.7 | 0 | 0 | 0 | 112.5 | D672 R674 Q679 Q680 M725 | D672-L676 WeakPolarHBondContact O-CB 3.21Å; D672-L676 WeakPolarHBondContact O-CG 3.11Å; D672-L676 PolarHBondContact O-N 2.99Å; R674-L676 VanDerWaalsContact C-N 3.35Å; L676-Q679 WeakPolarHBondContact O-CB 3.36Å; L676-Q679 PolarHBondContact O-N 3.18Å; L676-Q680 WeakPolarHBondContact O-CB 3.34Å; L676-Q680 PolarHBondContact O-N 3.13Å; L676-M725 HydrophobicContact CB-CG 4.13Å; L676-M725 HydrophobicContact CD1-CE 4.23Å |
| 677 | A | 88.1 | Confident | 87.7 | Confident | 3.33333 Ų | 3.33333 | 39.4 Ų | 39.4 | 3% | 0.028 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.1 | -43.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | P673 R674 S675 Q679 Q680 L681 M725 L726 | P673-A677 VanDerWaalsContact O-CB 3.27Å; P673-A677 WeakPolarHBondContact O-CB 3.39Å; P673-A677 PolarHBondContact O-N 3.17Å; R674-A677 PolarHBondContact O-N 2.94Å; S675-A677 PolarHBondContact O-N 2.86Å; A677-Q679 VanDerWaalsContact C-N 3.34Å; A677-Q680 PolarHBondContact O-N 3.09Å; A677-L681 VanDerWaalsContact O-CB 3.29Å; A677-L681 WeakPolarHBondContact O-CB 3.33Å; A677-L681 PolarHBondContact O-N 3.17Å; A677-M725 HydrophobicContact CB-CB 3.95Å; A677-M725 WeakPolarHBondContact CB-O 3.4Å; A677-L726 HydrophobicContact CB-CD2 4.48Å |
| 678 | V | 90.9 | Very high | 87.6 | Confident | 10.3333 Ų | 10.3333 | 39.4 Ų | 39.4 | 6% | 0.063 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66 | -37.7 | 175.3 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | L623 V626 R627 T664 R674 S675 L681 S682 | L623-V678 HydrophobicContact CB-CG2 4.46Å; V626-V678 HydrophobicContact CG1-CG1 3.88Å; V626-V678 HydrophobicContact CG1-CG2 4.45Å; R627-V678 HydrophobicContact CB-CG2 4.18Å; T664-V678 HydrophobicContact CG2-CG1 3.98Å; R674-V678 WeakPolarHBondContact O-CG2 3.24Å; R674-V678 PolarHBondContact O-N 3.29Å; R674-V678 VanDerWaalsContact O-N 3.1Å; S675-V678 PolarHBondContact O-N 3.09Å; V678-L681 PolarHBondContact O-N 3.46Å; V678-S682 VanDerWaalsContact O-CB 3.32Å; V678-S682 WeakPolarHBondContact O-CB 3.43Å; V678-S682 PolarHBondContact O-N 3.22Å; V678-S682 PolarHBondContact O-OG 3.16Å |
| 679 | Q | 92.4 | Very high | 87.9 | Confident | 15.6667 Ų | 15.6667 | 38 Ų | 38 | 7% | 0.073 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -48.7 | 173.9 | -179.1 | -178.9 | 66 | 0 | 0 | 111.9 | T664 A665 T668 S675 L676 A677 L681 S682 R683 | T664-Q679 PolarHBondContact O-NE2 3.18Å; A665-Q679 PolarHBondContact O-NE2 3.28Å; T668-Q679 HydrophobicContact CG2-CB 4.21Å; T668-Q679 PolarHBondContact O-NE2 3.07Å; S675-Q679 WeakPolarHBondContact O-CB 3.3Å; S675-Q679 PolarHBondContact O-N 2.98Å; L676-Q679 WeakPolarHBondContact O-CB 3.36Å; L676-Q679 PolarHBondContact O-N 3.18Å; A677-Q679 VanDerWaalsContact C-N 3.34Å; Q679-L681 VanDerWaalsContact C-N 3.28Å; Q679-L681 PolarHBondContact O-N 3.16Å; Q679-S682 WeakPolarHBondContact CA-OG 3.34Å; Q679-S682 WeakPolarHBondContact O-CB 3.48Å; Q679-S682 PolarHBondContact O-N 3.21Å; Q679-S682 VanDerWaalsContact O-N 3.15Å; Q679-S682 PolarHBondContact O-OG 3.18Å; Q679-R683 VanDerWaalsContact O-CG 3.28Å; Q679-R683 WeakPolarHBondContact O-CG 3.41Å; Q679-R683 PolarHBondContact O-N 3.31Å |
| 680 | Q | 91.2 | Very high | 88.4 | Confident | 27 Ų | 27 | 30.6 Ų | 30.6 | 13% | 0.126 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.6 | -43.9 | 177.1 | -176.6 | -173.3 | -8.8 | 0 | 0 | 110.9 | L676 A677 S682 R683 Q684 N724 | L676-Q680 WeakPolarHBondContact O-CB 3.34Å; L676-Q680 PolarHBondContact O-N 3.13Å; A677-Q680 PolarHBondContact O-N 3.09Å; Q680-S682 VanDerWaalsContact C-N 3.33Å; Q680-S682 PolarHBondContact O-N 2.79Å; Q680-R683 WeakPolarHBondContact O-CB 3.45Å; Q680-R683 PolarHBondContact O-N 3.35Å; Q680-Q684 WeakPolarHBondContact O-CG 3.39Å; Q680-Q684 PolarHBondContact O-N 3.35Å; Q680-Q684 VanDerWaalsContact O-N 3.13Å; Q680-N724 PolarHBondContact NE2-OD1 3.15Å |
| 681 | L | 92.1 | Very high | 89.1 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.4 | -42.3 | 176.3 | -173.1 | 118.9 | 0 | 0 | 0 | 111.8 | R627 M631 A677 V678 Q679 R683 Q684 L685 L726 | R627-L681 WeakPolarHBondContact O-CD2 3.38Å; M631-L681 HydrophobicContact CB-CD1 4.34Å; M631-L681 HydrophobicContact CG-CD1 3.75Å; M631-L681 VanDerWaalsContact CG-CD1 3.49Å; M631-L681 HydrophobicContact CG-CD2 4.24Å; A677-L681 VanDerWaalsContact O-CB 3.29Å; A677-L681 WeakPolarHBondContact O-CB 3.33Å; A677-L681 PolarHBondContact O-N 3.17Å; V678-L681 PolarHBondContact O-N 3.46Å; Q679-L681 VanDerWaalsContact C-N 3.28Å; Q679-L681 PolarHBondContact O-N 3.16Å; L681-R683 VanDerWaalsContact C-N 3.32Å; L681-R683 PolarHBondContact O-N 3.07Å; L681-Q684 WeakPolarHBondContact O-CB 3.31Å; L681-Q684 PolarHBondContact O-N 3.35Å; L681-Q684 VanDerWaalsContact O-N 3.15Å; L681-L685 HydrophobicContact CD2-CD1 3.49Å; L681-L685 VanDerWaalsContact CD2-CD1 3.46Å; L681-L685 HydrophobicContact CD2-CG 3.96Å; L681-L685 HydrophobicContact CG-CD1 4.27Å; L681-L685 WeakPolarHBondContact O-CG 3.27Å; L681-L685 PolarHBondContact O-N 3.25Å; L681-L726 HydrophobicContact CB-CD2 4.36Å; L681-L726 HydrophobicContact CD1-CD2 4.17Å |
| 682 | S | 94.6 | Very high | 89.5 | Confident | 0.333333 Ų | 0.333333 | 30.2 Ų | 30.2 | 0% | 0.002 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64 | -37.4 | 177.7 | 45.5 | 0 | 0 | 0 | 0 | 112.1 | H661 T664 A665 V678 Q679 Q680 Q684 L685 V686 | H661-S682 VanDerWaalsContact ND1-CB 3.28Å; H661-S682 WeakPolarHBondContact ND1-CB 3.42Å; H661-S682 PolarHBondContact ND1-OG 3.5Å; H661-S682 VanDerWaalsContact O-CB 3.3Å; H661-S682 WeakPolarHBondContact O-CB 3.4Å; H661-S682 PolarHBondContact O-OG 3.38Å; H661-S682 VanDerWaalsContact O-OG 3.12Å; T664-S682 WeakPolarHBondContact CG2-OG 3.45Å; A665-S682 VanDerWaalsContact CA-OG 3.26Å; A665-S682 WeakPolarHBondContact CA-OG 3.38Å; A665-S682 WeakPolarHBondContact CB-OG 3.49Å; A665-S682 PolarHBondContact N-OG 3.23Å; A665-S682 VanDerWaalsContact N-OG 3.14Å; V678-S682 VanDerWaalsContact O-CB 3.32Å; V678-S682 WeakPolarHBondContact O-CB 3.43Å; V678-S682 PolarHBondContact O-N 3.22Å; V678-S682 PolarHBondContact O-OG 3.16Å; Q679-S682 WeakPolarHBondContact CA-OG 3.34Å; Q679-S682 WeakPolarHBondContact O-CB 3.48Å; Q679-S682 PolarHBondContact O-N 3.21Å; Q679-S682 VanDerWaalsContact O-N 3.15Å; Q679-S682 PolarHBondContact O-OG 3.18Å; Q680-S682 VanDerWaalsContact C-N 3.33Å; Q680-S682 PolarHBondContact O-N 2.79Å; S682-Q684 VanDerWaalsContact C-N 3.33Å; S682-Q684 PolarHBondContact O-N 2.94Å; S682-L685 PolarHBondContact O-N 2.95Å; S682-V686 VanDerWaalsContact O-CG2 3.29Å; S682-V686 WeakPolarHBondContact O-CG2 3.4Å; S682-V686 PolarHBondContact O-N 3.18Å |
| 683 | R | 93.6 | Very high | 90 | Very high | 53.3333 Ų | 53.3333 | 29.6 Ų | 29.6 | 20% | 0.201 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.5 | -41.6 | 172.5 | -69.4 | 174 | 180 | -178.1 | 2.8 | 112 | A665 Q679 Q680 L681 A687 F819 | A665-R683 HydrophobicContact CB-CB 4.46Å; A665-R683 HydrophobicContact CB-CG 3.57Å; A665-R683 PolarHBondContact O-NE 3.03Å; A665-R683 VanDerWaalsContact O-NE 3.1Å; A665-R683 PolarHBondContact O-NH2 2.89Å; Q679-R683 VanDerWaalsContact O-CG 3.28Å; Q679-R683 WeakPolarHBondContact O-CG 3.41Å; Q679-R683 PolarHBondContact O-N 3.31Å; Q680-R683 WeakPolarHBondContact O-CB 3.45Å; Q680-R683 PolarHBondContact O-N 3.35Å; L681-R683 VanDerWaalsContact C-N 3.32Å; L681-R683 PolarHBondContact O-N 3.07Å; R683-A687 PolarHBondContact O-N 3.24Å; R683-F819 HydrophobicContact CB-CD2 3.99Å; R683-F819 HydrophobicContact CB-CE2 3.6Å; R683-F819 HydrophobicContact CB-CZ 4.18Å; R683-F819 HydrophobicContact CG-CD1 4.32Å; R683-F819 HydrophobicContact CG-CD2 3.63Å; R683-F819 HydrophobicContact CG-CE1 4.23Å; R683-F819 HydrophobicContact CG-CE2 3.53Å; R683-F819 VanDerWaalsContact CG-CE2 3.47Å; R683-F819 HydrophobicContact CG-CG 4.07Å; R683-F819 HydrophobicContact CG-CZ 3.85Å |
| 684 | Q | 91.7 | Very high | 90.6 | Very high | 47.6667 Ų | 47.6667 | 31.7 Ų | 31.7 | 22% | 0.223 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.8 | -44.9 | 174.8 | -69.6 | 174.7 | -5.8 | 0 | 0 | 111.5 | R634 Q680 L681 S682 V686 A687 L688 | R634-Q684 VanDerWaalsContact CD-OE1 3.3Å; Q680-Q684 WeakPolarHBondContact O-CG 3.39Å; Q680-Q684 PolarHBondContact O-N 3.35Å; Q680-Q684 VanDerWaalsContact O-N 3.13Å; L681-Q684 WeakPolarHBondContact O-CB 3.31Å; L681-Q684 PolarHBondContact O-N 3.35Å; L681-Q684 VanDerWaalsContact O-N 3.15Å; S682-Q684 VanDerWaalsContact C-N 3.33Å; S682-Q684 PolarHBondContact O-N 2.94Å; Q684-V686 PolarHBondContact O-N 2.84Å; Q684-A687 WeakPolarHBondContact O-CB 3.38Å; Q684-A687 PolarHBondContact O-N 2.96Å; Q684-L688 VanDerWaalsContact O-CG 3.31Å; Q684-L688 WeakPolarHBondContact O-CG 3.28Å; Q684-L688 PolarHBondContact O-N 3.42Å |
| 685 | L | 94.2 | Very high | 91 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.6 | -41.9 | 177.9 | -72.6 | 178.1 | 0 | 0 | 0 | 112.4 | M633 R634 I637 H661 L681 S682 A687 L688 W689 | M633-L685 HydrophobicContact CB-CD2 4.21Å; M633-L685 HydrophobicContact CG-CD2 3.82Å; R634-L685 HydrophobicContact CB-CD2 4.11Å; I637-L685 HydrophobicContact CD1-CD2 4.31Å; H661-L685 VanDerWaalsContact CE1-CD1 3.4Å; H661-L685 WeakPolarHBondContact CE1-CD1 3.23Å; H661-L685 WeakPolarHBondContact NE2-CD1 3.45Å; L681-L685 HydrophobicContact CD2-CD1 3.49Å; L681-L685 VanDerWaalsContact CD2-CD1 3.46Å; L681-L685 HydrophobicContact CD2-CG 3.96Å; L681-L685 HydrophobicContact CG-CD1 4.27Å; L681-L685 WeakPolarHBondContact O-CG 3.27Å; L681-L685 PolarHBondContact O-N 3.25Å; S682-L685 PolarHBondContact O-N 2.95Å; L685-A687 VanDerWaalsContact C-N 3.3Å; L685-A687 PolarHBondContact O-N 3.21Å; L685-L688 HydrophobicContact CD2-CD1 4.33Å; L685-L688 CarbonylContact O-C 3.23Å; L685-L688 PolarHBondContact O-N 3.18Å; L685-L688 VanDerWaalsContact O-N 3.11Å; L685-W689 HydrophobicContact CB-CD2 4.33Å; L685-W689 HydrophobicContact CB-CE3 4.05Å; L685-W689 HydrophobicContact CB-CH2 4.17Å; L685-W689 HydrophobicContact CB-CZ2 4.44Å; L685-W689 HydrophobicContact CB-CZ3 3.98Å; L685-W689 HydrophobicContact CD1-CH2 4.05Å; L685-W689 HydrophobicContact CD1-CZ2 4.2Å; L685-W689 HydrophobicContact CD1-CZ3 4.39Å; L685-W689 HydrophobicContact CD2-CZ2 4.4Å; L685-W689 VanDerWaalsContact O-CB 3.29Å; L685-W689 WeakPolarHBondContact O-CB 3.39Å; L685-W689 VanDerWaalsContact O-CG 3.29Å; L685-W689 PolarHBondContact O-N 3.17Å |
| 686 | V | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.4 | -44.3 | 173.9 | 166.5 | 0 | 0 | 0 | 0 | 111.3 | L658 H661 F662 S682 Q684 L688 W689 S690 F700 W815 F819 | L658-V686 HydrophobicContact CD1-CB 4.5Å; L658-V686 HydrophobicContact CD1-CG1 4.5Å; L658-V686 HydrophobicContact CD1-CG2 4.33Å; H661-V686 HydrophobicContact CB-CG2 4.19Å; F662-V686 HydrophobicContact CB-CG2 4.11Å; F662-V686 HydrophobicContact CD2-CG1 4.09Å; F662-V686 HydrophobicContact CD2-CG2 4.32Å; S682-V686 VanDerWaalsContact O-CG2 3.29Å; S682-V686 WeakPolarHBondContact O-CG2 3.4Å; S682-V686 PolarHBondContact O-N 3.18Å; Q684-V686 PolarHBondContact O-N 2.84Å; V686-L688 PolarHBondContact O-N 2.85Å; V686-W689 PolarHBondContact O-N 2.97Å; V686-S690 WeakPolarHBondContact O-CB 3.35Å; V686-S690 PolarHBondContact O-N 3.28Å; V686-S690 VanDerWaalsContact O-N 3.08Å; V686-S690 PolarHBondContact O-OG 3.12Å; V686-F700 HydrophobicContact CG1-CZ 4.04Å; V686-W815 HydrophobicContact CG1-CD2 4.4Å; V686-W815 HydrophobicContact CG1-CE3 4.12Å; V686-W815 HydrophobicContact CG1-CH2 3.75Å; V686-W815 HydrophobicContact CG1-CZ2 4.03Å; V686-W815 HydrophobicContact CG1-CZ3 3.8Å; V686-F819 HydrophobicContact CB-CZ 4.45Å; V686-F819 HydrophobicContact CG1-CZ 4.26Å |
| 687 | A | 91.8 | Very high | 91.6 | Very high | 24.3333 Ų | 24.3333 | 30 Ų | 30 | 20% | 0.201 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.5 | -48 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R683 Q684 L685 W689 S690 E691 W815 | R683-A687 PolarHBondContact O-N 3.24Å; Q684-A687 WeakPolarHBondContact O-CB 3.38Å; Q684-A687 PolarHBondContact O-N 2.96Å; L685-A687 VanDerWaalsContact C-N 3.3Å; L685-A687 PolarHBondContact O-N 3.21Å; A687-W689 VanDerWaalsContact C-N 3.34Å; A687-W689 PolarHBondContact O-N 3.38Å; A687-S690 PolarHBondContact O-N 3.01Å; A687-S690 PolarHBondContact O-OG 3.39Å; A687-S690 VanDerWaalsContact O-OG 3.05Å; A687-E691 PolarHBondContact O-N 3.25Å; A687-W815 HydrophobicContact CB-CB 4.46Å; A687-W815 VanDerWaalsContact CB-CD1 3.42Å; A687-W815 HydrophobicContact CB-CG 3.93Å |
| 688 | L | 91.2 | Very high | 91.9 | Very high | 16.6667 Ų | 16.6667 | 32.4 Ų | 32.4 | 9% | 0.087 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65 | -34.8 | 179 | -67.8 | 171.5 | 0 | 0 | 0 | 113.1 | R634 I637 E638 R649 Q684 L685 V686 L799 L802 | R634-L688 HydrophobicContact CB-CD1 4.41Å; R634-L688 HydrophobicContact CG-CD1 3.89Å; I637-L688 HydrophobicContact CD1-CB 4.26Å; I637-L688 HydrophobicContact CG2-CB 4.07Å; I637-L688 HydrophobicContact CG2-CD2 4.33Å; E638-L688 HydrophobicContact CG-CD1 4Å; E638-L688 HydrophobicContact CG-CD2 3.96Å; R649-L688 WeakPolarHBondContact CD-O 3.24Å; R649-L688 PolarHBondContact NE-O 3.26Å; Q684-L688 VanDerWaalsContact O-CG 3.31Å; Q684-L688 WeakPolarHBondContact O-CG 3.28Å; Q684-L688 PolarHBondContact O-N 3.42Å; L685-L688 HydrophobicContact CD2-CD1 4.33Å; L685-L688 CarbonylContact O-C 3.23Å; L685-L688 PolarHBondContact O-N 3.18Å; L685-L688 VanDerWaalsContact O-N 3.11Å; V686-L688 PolarHBondContact O-N 2.85Å; L688-L799 HydrophobicContact CD2-CB 4.31Å; L688-L799 HydrophobicContact CD2-CD1 3.35Å; L688-L799 HydrophobicContact CD2-CG 4.44Å; L688-L802 HydrophobicContact CD2-CD1 4.1Å |
| 689 | W | 93.5 | Very high | 92.1 | Very high | 0.666667 Ų | 0.666667 | 31.9 Ų | 31.9 | 0% | 0.003 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -76.4 | -29.2 | 179.6 | -70.7 | -18.4 | 0 | 0 | 0 | 114.2 | F615 Y618 M633 I637 L648 R649 A652 A657 L658 H661 L685 V686 A687 N693 | F615-W689 HydrophobicContact CD1-CZ2 4.48Å; F615-W689 HydrophobicContact CE1-CH2 4.33Å; F615-W689 AromaticContact CE1-CZ2 3.79Å; F615-W689 HydrophobicContact CE1-CZ2 3.93Å; F615-W689 HydrophobicContact CZ-CH2 4.34Å; Y618-W689 AromaticContact CE2-CH2 3.84Å; Y618-W689 HydrophobicContact CE2-CH2 3.84Å; Y618-W689 HydrophobicContact CE2-CZ2 4.19Å; M633-W689 HydrophobicContact CE-CH2 3.41Å; M633-W689 VanDerWaalsContact CE-CH2 3.41Å; M633-W689 HydrophobicContact CE-CZ2 4.12Å; M633-W689 HydrophobicContact CE-CZ3 4.37Å; M633-W689 HydrophobicContact CG-CH2 3.55Å; M633-W689 HydrophobicContact CG-CZ2 3.73Å; M633-W689 HydrophobicContact SD-CH2 4.21Å; M633-W689 HydrophobicContact SD-CZ2 4.39Å; I637-W689 HydrophobicContact CD1-CD2 4.18Å; I637-W689 HydrophobicContact CD1-CE3 3.77Å; I637-W689 HydrophobicContact CD1-CH2 3.28Å; I637-W689 HydrophobicContact CD1-CZ2 3.77Å; I637-W689 HydrophobicContact CD1-CZ3 3.29Å; I637-W689 VanDerWaalsContact CD1-NE1 3.29Å; I637-W689 HydrophobicContact CG1-CH2 4.05Å; I637-W689 HydrophobicContact CG1-CZ3 3.93Å; L648-W689 HydrophobicContact CB-CZ3 4.19Å; L648-W689 VanDerWaalsContact O-CZ3 3.32Å; L648-W689 WeakPolarHBondContact O-CZ3 3.41Å; R649-W689 HydrophobicContact CB-CE3 4.38Å; R649-W689 HydrophobicContact CG-CE3 3.92Å; R649-W689 HydrophobicContact CG-CZ3 4.34Å; A652-W689 HydrophobicContact CB-CB 4.43Å; A652-W689 HydrophobicContact CB-CD2 3.53Å; A652-W689 VanDerWaalsContact CB-CE2 3.42Å; A652-W689 HydrophobicContact CB-CE3 3.84Å; A652-W689 VanDerWaalsContact CB-CE3 3.4Å; A652-W689 HydrophobicContact CB-CG 3.9Å; A652-W689 HydrophobicContact CB-CH2 4.13Å; A652-W689 HydrophobicContact CB-CZ2 3.97Å; A652-W689 HydrophobicContact CB-CZ3 4.02Å; A657-W689 HydrophobicContact CB-CH2 3.85Å; A657-W689 HydrophobicContact CB-CZ3 4.17Å; A657-W689 WeakPolarHBondContact O-CZ3 3.36Å; L658-W689 HydrophobicContact CB-CE3 4.32Å; L658-W689 HydrophobicContact CD1-CB 3.83Å; L658-W689 HydrophobicContact CD1-CE3 3.93Å; L658-W689 HydrophobicContact CD1-CG 4.14Å; H661-W689 HydrophobicContact CB-CZ3 3.89Å; H661-W689 AromaticContact CD2-CH2 3.47Å; H661-W689 VanDerWaalsContact CD2-CH2 3.44Å; H661-W689 WeakPolarHBondContact CD2-CH2 3.2Å; H661-W689 AromaticContact CD2-CZ3 3.52Å; H661-W689 AromaticContact CD2-NE1 3.4Å; H661-W689 PolarHBondContact CD2-NE1 3.42Å; H661-W689 AromaticContact CG-CZ3 3.89Å; L685-W689 HydrophobicContact CB-CD2 4.33Å; L685-W689 HydrophobicContact CB-CE3 4.05Å; L685-W689 HydrophobicContact CB-CH2 4.17Å; L685-W689 HydrophobicContact CB-CZ2 4.44Å; L685-W689 HydrophobicContact CB-CZ3 3.98Å; L685-W689 HydrophobicContact CD1-CH2 4.05Å; L685-W689 HydrophobicContact CD1-CZ2 4.2Å; L685-W689 HydrophobicContact CD1-CZ3 4.39Å; L685-W689 HydrophobicContact CD2-CZ2 4.4Å; L685-W689 VanDerWaalsContact O-CB 3.29Å; L685-W689 WeakPolarHBondContact O-CB 3.39Å; L685-W689 VanDerWaalsContact O-CG 3.29Å; L685-W689 PolarHBondContact O-N 3.17Å; V686-W689 PolarHBondContact O-N 2.97Å; A687-W689 VanDerWaalsContact C-N 3.34Å; A687-W689 PolarHBondContact O-N 3.38Å; W689-N693 VanDerWaalsContact O-CB 3.3Å; W689-N693 WeakPolarHBondContact O-CB 3.39Å; W689-N693 PolarHBondContact O-ND2 2.99Å; W689-N693 VanDerWaalsContact O-ND2 3.1Å |
| 690 | S | 90.9 | Very high | 92.2 | Very high | 0.333333 Ų | 0.333333 | 31.2 Ų | 31.2 | 0% | 0.002 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -82.6 | -21.1 | 178.4 | 62.6 | 0 | 0 | 0 | 0 | 113.6 | V686 A687 N692 N693 W697 W815 | V686-S690 WeakPolarHBondContact O-CB 3.35Å; V686-S690 PolarHBondContact O-N 3.28Å; V686-S690 VanDerWaalsContact O-N 3.08Å; V686-S690 PolarHBondContact O-OG 3.12Å; A687-S690 PolarHBondContact O-N 3.01Å; A687-S690 PolarHBondContact O-OG 3.39Å; A687-S690 VanDerWaalsContact O-OG 3.05Å; S690-N692 PolarHBondContact O-N 3.16Å; S690-N693 PolarHBondContact O-N 3.15Å; S690-W697 PolarHBondContact O-NE1 3.18Å; S690-W697 VanDerWaalsContact O-NE1 3.07Å; S690-W815 WeakPolarHBondContact OG-CZ2 3.3Å; S690-W815 PolarHBondContact OG-NE1 2.86Å |
| 691 | E | 86.9 | Confident | 92.3 | Very high | 64.3333 Ų | 64.3333 | 35 Ų | 35 | 30% | 0.301 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 126.5 | 179.9 | -166.8 | -165.5 | 163.5 | 0 | 0 | 111.8 | R649 A687 N693 L799 S801 | R649-E691 VanDerWaalsContact CD-O 3.27Å; R649-E691 WeakPolarHBondContact CD-O 3.27Å; R649-E691 IonicContact CZ-OE2 2.73Å; R649-E691 PolarHBondContact NE-O 3.05Å; R649-E691 VanDerWaalsContact NE-O 3.14Å; R649-E691 VanDerWaalsContact NH2-CD 3.29Å; R649-E691 IonicContact NH2-OE1 2.72Å; R649-E691 IonicContact NH2-OE2 3.59Å; R649-E691 PolarHBondContact NH2-OE2 3.47Å; A687-E691 PolarHBondContact O-N 3.25Å; E691-N693 PolarHBondContact O-N 3.12Å; E691-N693 VanDerWaalsContact O-N 3.1Å; E691-L799 VanDerWaalsContact CD-CD2 3.43Å; E691-L799 HydrophobicContact CG-CD2 4.38Å; E691-L799 WeakPolarHBondContact OE1-CD2 3.23Å; E691-L799 WeakPolarHBondContact OE2-CD2 3.32Å; E691-S801 PolarHBondContact OE2-OG 3.33Å; E691-S801 VanDerWaalsContact OE2-OG 3.11Å |
| 692 | N | 84.6 | Confident | 92.3 | Very high | 123 Ų | 123 | 38.5 Ų | 38.5 | 66% | 0.658 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 27.5 | -178.6 | -63.7 | -47.7 | 0 | 0 | 0 | 114.6 | S690 K810 | S690-N692 PolarHBondContact O-N 3.16Å; N692-K810 PolarHBondContact OD1-NZ 3.41Å |
| 693 | N | 90 | Very high | 92.3 | Very high | 18.3333 Ų | 18.3333 | 38.6 Ų | 38.6 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | trans | -123.2 | 98.1 | -178.1 | -175 | -1.8 | 0 | 0 | 0 | 111.7 | R649 L653 W689 S690 E691 D695 A696 W697 | R649-N693 PolarHBondContact O-ND2 3.31Å; L653-N693 WeakPolarHBondContact CD1-ND2 3.44Å; W689-N693 VanDerWaalsContact O-CB 3.3Å; W689-N693 WeakPolarHBondContact O-CB 3.39Å; W689-N693 PolarHBondContact O-ND2 2.99Å; W689-N693 VanDerWaalsContact O-ND2 3.1Å; S690-N693 PolarHBondContact O-N 3.15Å; E691-N693 PolarHBondContact O-N 3.12Å; E691-N693 VanDerWaalsContact O-N 3.1Å; N693-D695 VanDerWaalsContact C-N 3.34Å; N693-D695 PolarHBondContact O-N 3.35Å; N693-D695 PolarHBondContact OD1-N 3.3Å; N693-A696 HydrophobicContact CB-CB 4.09Å; N693-A696 PolarHBondContact O-N 3.05Å; N693-A696 PolarHBondContact OD1-N 3.28Å; N693-W697 VanDerWaalsContact O-CD1 3.23Å; N693-W697 PolarHBondContact O-N 3.38Å | ||
| 694 | Q | 91.9 | Very high | 92.3 | Very high | 112.333 Ų | 112.333 | 36.3 Ų | 36.3 | 53% | 0.525 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64 | -39.6 | -176.7 | -173.4 | 59.4 | 39.8 | 0 | 0 | 112.9 | A696 W697 D698 | Q694-A696 VanDerWaalsContact C-N 3.25Å; Q694-A696 PolarHBondContact O-N 2.95Å; Q694-W697 WeakPolarHBondContact O-CB 3.38Å; Q694-W697 PolarHBondContact O-N 2.89Å; Q694-D698 VanDerWaalsContact NE2-CG 3.25Å; Q694-D698 PolarHBondContact NE2-OD1 2.9Å; Q694-D698 VanDerWaalsContact NE2-OD1 3.12Å; Q694-D698 PolarHBondContact NE2-OD2 3.5Å; Q694-D698 PolarHBondContact O-N 2.93Å |
| 695 | D | 94.1 | Very high | 92.2 | Very high | 58 Ų | 58 | 35.2 Ų | 35.2 | 31% | 0.31 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.9 | -35.6 | 179 | -76.1 | -49.1 | 0 | 0 | 0 | 111.8 | L653 N693 L699 Y984 R985 | L653-D695 HydrophobicContact CD1-CB 3.54Å; L653-D695 VanDerWaalsContact CD1-CB 3.49Å; N693-D695 VanDerWaalsContact C-N 3.34Å; N693-D695 PolarHBondContact O-N 3.35Å; N693-D695 PolarHBondContact OD1-N 3.3Å; D695-L699 VanDerWaalsContact O-CB 3.28Å; D695-L699 WeakPolarHBondContact O-CB 3.43Å; D695-L699 PolarHBondContact O-N 3.2Å; D695-Y984 HydrophobicContact CB-CD2 4.41Å; D695-Y984 HydrophobicContact CB-CE2 3.76Å; D695-Y984 WeakPolarHBondContact OD1-CE2 3.22Å; D695-Y984 PolarHBondContact OD2-OH 3.19Å; D695-R985 IonicContact OD1-NE 3.15Å; D695-R985 IonicContact OD1-NH2 3.7Å |
| 696 | A | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.4 | -39.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L653 L658 N693 Q694 L699 F700 | L653-A696 HydrophobicContact CD2-CB 4.44Å; L658-A696 HydrophobicContact CD2-CB 3.72Å; N693-A696 HydrophobicContact CB-CB 4.09Å; N693-A696 PolarHBondContact O-N 3.05Å; N693-A696 PolarHBondContact OD1-N 3.28Å; Q694-A696 VanDerWaalsContact C-N 3.25Å; Q694-A696 PolarHBondContact O-N 2.95Å; A696-L699 WeakPolarHBondContact O-CB 3.43Å; A696-L699 PolarHBondContact O-N 3.12Å; A696-F700 WeakPolarHBondContact O-CD2 3.38Å; A696-F700 WeakPolarHBondContact O-CG 3.36Å; A696-F700 PolarHBondContact O-N 3.34Å |
| 697 | W | 92.2 | Very high | 91.2 | Very high | 51.3333 Ų | 51.3333 | 38.9 Ų | 38.9 | 19% | 0.194 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.8 | -40.9 | 175.2 | -75.5 | 105.4 | 0 | 0 | 0 | 112.5 | S690 N693 Q694 L699 F700 K701 L712 I813 W815 | S690-W697 PolarHBondContact O-NE1 3.18Å; S690-W697 VanDerWaalsContact O-NE1 3.07Å; N693-W697 VanDerWaalsContact O-CD1 3.23Å; N693-W697 PolarHBondContact O-N 3.38Å; Q694-W697 WeakPolarHBondContact O-CB 3.38Å; Q694-W697 PolarHBondContact O-N 2.89Å; W697-L699 VanDerWaalsContact C-N 3.32Å; W697-L699 PolarHBondContact O-N 3.47Å; W697-F700 HydrophobicContact CE3-CD2 4.4Å; W697-F700 PolarHBondContact O-N 2.96Å; W697-K701 VanDerWaalsContact O-CG 3.31Å; W697-K701 WeakPolarHBondContact O-CG 3.41Å; W697-K701 PolarHBondContact O-N 3.08Å; W697-L712 HydrophobicContact CH2-CD1 3.91Å; W697-L712 HydrophobicContact CZ3-CD1 3.75Å; W697-I813 HydrophobicContact CH2-CD1 4.09Å; W697-I813 HydrophobicContact CH2-CG1 4.45Å; W697-I813 HydrophobicContact CH2-CG2 3.91Å; W697-I813 HydrophobicContact CZ2-CD1 3.61Å; W697-I813 HydrophobicContact CZ2-CG1 4.26Å; W697-I813 HydrophobicContact CZ2-CG2 4.26Å; W697-W815 HydrophobicContact CH2-CZ2 4.25Å |
| 698 | D | 93.9 | Very high | 91 | Very high | 53 Ų | 53 | 37.8 Ų | 37.8 | 28% | 0.283 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -69.4 | -33.6 | 177.7 | -65 | -23.7 | 0 | 0 | 0 | 111.4 | Q694 K701 R702 | Q694-D698 VanDerWaalsContact NE2-CG 3.25Å; Q694-D698 PolarHBondContact NE2-OD1 2.9Å; Q694-D698 VanDerWaalsContact NE2-OD1 3.12Å; Q694-D698 PolarHBondContact NE2-OD2 3.5Å; Q694-D698 PolarHBondContact O-N 2.93Å; D698-K701 PolarHBondContact O-N 3.01Å; D698-K701 WeakPolarHBondContact OD1-CE 3.34Å; D698-K701 IonicContact OD1-NZ 3.09Å; D698-K701 PolarHBondContact OD1-NZ 3.29Å; D698-R702 VanDerWaalsContact C-NH1 3.29Å; D698-R702 WeakPolarHBondContact O-CG 3.36Å; D698-R702 PolarHBondContact O-N 3.17Å; D698-R702 VanDerWaalsContact O-N 3.16Å; D698-R702 PolarHBondContact O-NH1 2.88Å; D698-R702 VanDerWaalsContact O-NH1 3.13Å |
| 699 | L | 95.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.4 | -49.6 | 168 | 176 | 66.4 | 0 | 0 | 0 | 111.7 | L653 L658 D695 A696 W697 K701 R702 M703 W982 Y984 F987 | L653-L699 HydrophobicContact CD2-CD2 3.93Å; L658-L699 HydrophobicContact CD2-CD2 4.03Å; D695-L699 VanDerWaalsContact O-CB 3.28Å; D695-L699 WeakPolarHBondContact O-CB 3.43Å; D695-L699 PolarHBondContact O-N 3.2Å; A696-L699 WeakPolarHBondContact O-CB 3.43Å; A696-L699 PolarHBondContact O-N 3.12Å; W697-L699 VanDerWaalsContact C-N 3.32Å; W697-L699 PolarHBondContact O-N 3.47Å; L699-K701 VanDerWaalsContact C-N 3.32Å; L699-K701 PolarHBondContact O-N 3.12Å; L699-R702 PolarHBondContact O-N 3.27Å; L699-M703 HydrophobicContact CD1-CG 4.1Å; L699-M703 HydrophobicContact CD1-SD 3.62Å; L699-M703 VanDerWaalsContact CD1-SD 3.52Å; L699-M703 HydrophobicContact CD2-SD 4.19Å; L699-M703 HydrophobicContact CG-CG 4.44Å; L699-M703 HydrophobicContact CG-SD 3.63Å; L699-M703 VanDerWaalsContact CG-SD 3.6Å; L699-M703 WeakPolarHBondContact O-CG 3.35Å; L699-M703 PolarHBondContact O-N 3.06Å; L699-W982 HydrophobicContact CD1-CH2 3.96Å; L699-W982 HydrophobicContact CD2-CH2 3.92Å; L699-W982 HydrophobicContact CD2-CZ3 3.96Å; L699-Y984 WeakPolarHBondContact CD1-O 3.31Å; L699-F987 HydrophobicContact CD1-CB 4.41Å; L699-F987 HydrophobicContact CD1-CD1 3.99Å |
| 700 | F | 95 | Very high | 90.4 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.7 | -39.5 | 178.1 | -72 | -49.8 | 0 | 0 | 0 | 112.7 | L658 F662 V686 A696 W697 R702 M703 L704 L709 W815 | L658-F700 HydrophobicContact CD1-CZ 4.11Å; L658-F700 HydrophobicContact CD2-CZ 4.28Å; L658-F700 HydrophobicContact CG-CZ 4.38Å; F662-F700 AromaticContact CD2-CE1 3.69Å; F662-F700 HydrophobicContact CD2-CE1 3.69Å; F662-F700 HydrophobicContact CD2-CZ 4.28Å; F662-F700 HydrophobicContact CE2-CD1 4.49Å; F662-F700 AromaticContact CE2-CE1 3.9Å; F662-F700 HydrophobicContact CE2-CE1 3.9Å; F662-F700 HydrophobicContact CG-CE1 4.07Å; F662-F700 HydrophobicContact CZ-CE1 4.45Å; V686-F700 HydrophobicContact CG1-CZ 4.04Å; A696-F700 WeakPolarHBondContact O-CD2 3.38Å; A696-F700 WeakPolarHBondContact O-CG 3.36Å; A696-F700 PolarHBondContact O-N 3.34Å; W697-F700 HydrophobicContact CE3-CD2 4.4Å; W697-F700 PolarHBondContact O-N 2.96Å; F700-R702 VanDerWaalsContact C-N 3.27Å; F700-R702 PolarHBondContact O-N 3.22Å; F700-M703 PolarHBondContact O-N 2.85Å; F700-M703 VanDerWaalsContact O-N 3.12Å; F700-L704 HydrophobicContact CB-CD1 4.34Å; F700-L704 HydrophobicContact CD1-CD1 3.88Å; F700-L704 HydrophobicContact CG-CD1 4.45Å; F700-L704 WeakPolarHBondContact O-CB 3.35Å; F700-L704 PolarHBondContact O-N 3.05Å; F700-L709 HydrophobicContact CB-CD1 4.45Å; F700-L709 HydrophobicContact CB-CD2 4.26Å; F700-W815 HydrophobicContact CD2-CH2 4.2Å; F700-W815 HydrophobicContact CE1-CH2 4.36Å; F700-W815 AromaticContact CE2-CH2 3.71Å; F700-W815 HydrophobicContact CE2-CH2 3.71Å; F700-W815 AromaticContact CE2-CZ2 3.95Å; F700-W815 HydrophobicContact CE2-CZ2 4Å; F700-W815 AromaticContact CZ-CH2 3.81Å; F700-W815 HydrophobicContact CZ-CH2 3.81Å; F700-W815 HydrophobicContact CZ-CZ2 4.41Å |
| 701 | K | 92.5 | Very high | 90.2 | Very high | 106.667 Ų | 106.667 | 40.1 Ų | 40.1 | 46% | 0.464 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.8 | -28.1 | 174.8 | -68.5 | 170.6 | -170 | 168.9 | 0 | 113.4 | W697 D698 L699 L706 L709 | W697-K701 VanDerWaalsContact O-CG 3.31Å; W697-K701 WeakPolarHBondContact O-CG 3.41Å; W697-K701 PolarHBondContact O-N 3.08Å; D698-K701 PolarHBondContact O-N 3.01Å; D698-K701 WeakPolarHBondContact OD1-CE 3.34Å; D698-K701 IonicContact OD1-NZ 3.09Å; D698-K701 PolarHBondContact OD1-NZ 3.29Å; L699-K701 VanDerWaalsContact C-N 3.32Å; L699-K701 PolarHBondContact O-N 3.12Å; K701-L706 HydrophobicContact CB-CD2 4.15Å; K701-L706 HydrophobicContact CG-CD2 3.89Å; K701-L709 HydrophobicContact CG-CD1 4.12Å |
| 702 | R | 93.1 | Very high | 90.1 | Very high | 75.6667 Ų | 75.6667 | 37.3 Ų | 37.3 | 29% | 0.286 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -82.4 | -22.6 | 174.2 | -71.9 | -170.8 | -58.3 | -83.1 | 2.7 | 113.4 | D698 L699 F700 Y984 R985 F987 K988 V989 | D698-R702 VanDerWaalsContact C-NH1 3.29Å; D698-R702 WeakPolarHBondContact O-CG 3.36Å; D698-R702 PolarHBondContact O-N 3.17Å; D698-R702 VanDerWaalsContact O-N 3.16Å; D698-R702 PolarHBondContact O-NH1 2.88Å; D698-R702 VanDerWaalsContact O-NH1 3.13Å; L699-R702 PolarHBondContact O-N 3.27Å; F700-R702 VanDerWaalsContact C-N 3.27Å; F700-R702 PolarHBondContact O-N 3.22Å; R702-Y984 PolarHBondContact NH2-O 3.1Å; R702-R985 PolarHBondContact NE-O 3.2Å; R702-R985 VanDerWaalsContact NE-O 3.12Å; R702-R985 PolarHBondContact NH2-O 2.96Å; R702-F987 WeakPolarHBondContact CB-O 3.49Å; R702-F987 WeakPolarHBondContact CD-O 3.34Å; R702-F987 PolarHBondContact NE-O 3.16Å; R702-F987 VanDerWaalsContact NE-O 3.1Å; R702-K988 HydrophobicContact CB-CB 4.03Å; R702-K988 HydrophobicContact CG-CB 4.42Å; R702-K988 CarbonylContact O-C 3.54Å; R702-K988 VanDerWaalsContact O-CA 3.32Å; R702-K988 WeakPolarHBondContact O-CA 3.09Å; R702-V989 PolarHBondContact O-N 2.96Å; R702-V989 VanDerWaalsContact O-N 3.1Å |
| 703 | M | 94.3 | Very high | 90 | Very high | 2.33333 Ų | 2.33333 | 37.4 Ų | 37.4 | 1% | 0.011 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -97.4 | -32.9 | -177.4 | -71 | 175.2 | 55 | 0 | 0 | 113.8 | L659 F662 L699 F700 L841 M845 F987 V989 Y991 | L659-M703 HydrophobicContact CD1-CE 3.59Å; L659-M703 HydrophobicContact CD1-SD 4Å; F662-M703 HydrophobicContact CD1-CE 3.97Å; F662-M703 HydrophobicContact CE1-CE 4.23Å; L699-M703 HydrophobicContact CD1-CG 4.1Å; L699-M703 HydrophobicContact CD1-SD 3.62Å; L699-M703 VanDerWaalsContact CD1-SD 3.52Å; L699-M703 HydrophobicContact CD2-SD 4.19Å; L699-M703 HydrophobicContact CG-CG 4.44Å; L699-M703 HydrophobicContact CG-SD 3.63Å; L699-M703 VanDerWaalsContact CG-SD 3.6Å; L699-M703 WeakPolarHBondContact O-CG 3.35Å; L699-M703 PolarHBondContact O-N 3.06Å; F700-M703 PolarHBondContact O-N 2.85Å; F700-M703 VanDerWaalsContact O-N 3.12Å; M703-L841 HydrophobicContact CE-CD1 4.42Å; M703-M845 HydrophobicContact CE-CG 4.06Å; M703-M845 HydrophobicContact CE-SD 3.32Å; M703-M845 WeakPolarHBondContact CE-SD 3.42Å; M703-F987 HydrophobicContact CE-CE1 4.09Å; M703-F987 HydrophobicContact CG-CD1 3.82Å; M703-F987 HydrophobicContact CG-CE1 3.67Å; M703-F987 HydrophobicContact SD-CD1 3.89Å; M703-F987 HydrophobicContact SD-CE1 3.73Å; M703-V989 HydrophobicContact CB-CG2 4.11Å; M703-V989 HydrophobicContact CG-CG2 4.09Å; M703-Y991 PolarHBondContact O-OH 3.13Å |
| 704 | L | 93.2 | Very high | 89.5 | Confident | 5.33333 Ų | 5.33333 | 38.3 Ų | 38.3 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -123.3 | 143.8 | -166.9 | -60.6 | 168.1 | 0 | 0 | 0 | 111.1 | F662 F700 L706 L708 L709 F818 F822 L841 | F662-L704 HydrophobicContact CE1-CD1 4.33Å; F662-L704 HydrophobicContact CE1-CD2 4.15Å; F662-L704 HydrophobicContact CE2-CD1 4.36Å; F662-L704 HydrophobicContact CZ-CD1 3.7Å; F662-L704 HydrophobicContact CZ-CD2 4.03Å; F662-L704 HydrophobicContact CZ-CG 4.38Å; F700-L704 HydrophobicContact CB-CD1 4.34Å; F700-L704 HydrophobicContact CD1-CD1 3.88Å; F700-L704 HydrophobicContact CG-CD1 4.45Å; F700-L704 WeakPolarHBondContact O-CB 3.35Å; F700-L704 PolarHBondContact O-N 3.05Å; L704-L706 PolarHBondContact O-N 3.39Å; L704-L708 HydrophobicContact CD2-CD2 4.43Å; L704-L709 HydrophobicContact CB-CD1 4.46Å; L704-L709 HydrophobicContact CB-CD2 4.24Å; L704-L709 HydrophobicContact CB-CG 4.27Å; L704-L709 HydrophobicContact CD1-CD2 3.78Å; L704-F818 HydrophobicContact CD1-CE2 4.15Å; L704-F818 HydrophobicContact CD1-CZ 3.77Å; L704-F822 HydrophobicContact CD2-CE2 4.48Å; L704-L841 HydrophobicContact CD2-CD2 3.74Å |
| 705 | P | 89.7 | Confident | 88.7 | Confident | 25.3333 Ų | 25.3333 | 39.7 Ų | 39.7 | 17% | 0.165 | 21% | 0.205 | C | C | . | . | trans | -59.3 | 136.9 | 171 | -22.2 | 33.3 | 0 | 0 | 0 | 111.6 | G707 L708 L709 L831 W833 Y991 | P705-G707 VanDerWaalsContact C-N 3.25Å; P705-G707 PolarHBondContact O-N 3.21Å; P705-L708 WeakPolarHBondContact O-CB 3.39Å; P705-L708 PolarHBondContact O-N 3.21Å; P705-L709 PolarHBondContact O-N 2.93Å; P705-L831 HydrophobicContact CB-CD1 3.7Å; P705-L831 HydrophobicContact CG-CD1 4.14Å; P705-W833 HydrophobicContact CG-CE3 4.11Å; P705-W833 HydrophobicContact CG-CZ3 4.17Å; P705-Y991 HydrophobicContact CG-CE2 4.41Å | ||
| 706 | L | 84.7 | Confident | 87.9 | Confident | 72.3333 Ų | 72.3333 | 42 Ų | 42 | 38% | 0.379 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.2 | -31 | -178.4 | -60.6 | -174.4 | 0 | 0 | 0 | 112.9 | K701 L704 L708 L709 S710 N1002 | K701-L706 HydrophobicContact CB-CD2 4.15Å; K701-L706 HydrophobicContact CG-CD2 3.89Å; L704-L706 PolarHBondContact O-N 3.39Å; L706-L708 VanDerWaalsContact C-N 3.27Å; L706-L708 PolarHBondContact O-N 2.97Å; L706-L709 HydrophobicContact CD2-CD1 3.94Å; L706-L709 PolarHBondContact O-N 3.3Å; L706-L709 VanDerWaalsContact O-N 3.16Å; L706-S710 PolarHBondContact O-N 3.13Å; L706-N1002 WeakPolarHBondContact CD1-ND2 3.36Å |
| 707 | G | 83.5 | Confident | 87.1 | Confident | 5.33333 Ų | 5.33333 | 49.6 Ų | 49.6 | 6% | 0.055 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60 | -33.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P705 S710 D830 | P705-G707 VanDerWaalsContact C-N 3.25Å; P705-G707 PolarHBondContact O-N 3.21Å; G707-S710 VanDerWaalsContact O-CB 3.32Å; G707-S710 WeakPolarHBondContact O-CB 3.36Å; G707-S710 PolarHBondContact O-N 3.29Å; G707-S710 PolarHBondContact O-OG 2.9Å; G707-D830 WeakPolarHBondContact CA-OD2 3.48Å |
| 708 | L | 88.2 | Confident | 86.4 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -75.7 | -35.7 | 175.4 | -169.2 | 69.9 | 0 | 0 | 0 | 111.5 | L704 P705 L706 S710 Y711 F818 F822 L831 W833 | L704-L708 HydrophobicContact CD2-CD2 4.43Å; P705-L708 WeakPolarHBondContact O-CB 3.39Å; P705-L708 PolarHBondContact O-N 3.21Å; L706-L708 VanDerWaalsContact C-N 3.27Å; L706-L708 PolarHBondContact O-N 2.97Å; L708-S710 PolarHBondContact O-N 3.15Å; L708-Y711 HydrophobicContact CD1-CD2 4.1Å; L708-Y711 HydrophobicContact CD1-CE2 4.21Å; L708-Y711 WeakPolarHBondContact O-CD2 3.28Å; L708-Y711 PolarHBondContact O-N 3.04Å; L708-F818 HydrophobicContact CD2-CE2 3.85Å; L708-F818 HydrophobicContact CD2-CZ 4.12Å; L708-F818 HydrophobicContact CG-CD2 4.29Å; L708-F818 HydrophobicContact CG-CE2 3.75Å; L708-F818 HydrophobicContact CG-CZ 4.38Å; L708-F822 HydrophobicContact CD2-CD2 4.01Å; L708-L831 HydrophobicContact CB-CD1 3.91Å; L708-L831 HydrophobicContact CB-CD2 4.19Å; L708-L831 HydrophobicContact CD1-CD2 4.07Å; L708-W833 HydrophobicContact CD1-CG 4.46Å; L708-W833 HydrophobicContact CD2-CD2 4.28Å; L708-W833 HydrophobicContact CD2-CH2 4.49Å; L708-W833 HydrophobicContact CD2-CZ2 4.14Å |
| 709 | L | 88.3 | Confident | 85.5 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.6 | -23.9 | 174.2 | -64.2 | 178.5 | 0 | 0 | 0 | 112.3 | F700 K701 L704 P705 L706 Y711 L712 F818 | F700-L709 HydrophobicContact CB-CD1 4.45Å; F700-L709 HydrophobicContact CB-CD2 4.26Å; K701-L709 HydrophobicContact CG-CD1 4.12Å; L704-L709 HydrophobicContact CB-CD1 4.46Å; L704-L709 HydrophobicContact CB-CD2 4.24Å; L704-L709 HydrophobicContact CB-CG 4.27Å; L704-L709 HydrophobicContact CD1-CD2 3.78Å; P705-L709 PolarHBondContact O-N 2.93Å; L706-L709 HydrophobicContact CD2-CD1 3.94Å; L706-L709 PolarHBondContact O-N 3.3Å; L706-L709 VanDerWaalsContact O-N 3.16Å; L709-Y711 PolarHBondContact O-N 3.02Å; L709-L712 HydrophobicContact CB-CD1 4.45Å; L709-L712 HydrophobicContact CD2-CD1 3.66Å; L709-L712 VanDerWaalsContact O-CB 3.24Å; L709-L712 WeakPolarHBondContact O-CB 3.45Å; L709-L712 PolarHBondContact O-N 2.98Å; L709-F818 HydrophobicContact CD2-CE2 4.2Å |
| 710 | S | 84.1 | Confident | 84.4 | Confident | 30.6667 Ų | 30.6667 | 54.6 Ų | 54.6 | 21% | 0.214 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -58.5 | -30.1 | 176.7 | 81.2 | 0 | 0 | 0 | 0 | 113.3 | L706 G707 L708 L712 E713 S714 | L706-S710 PolarHBondContact O-N 3.13Å; G707-S710 VanDerWaalsContact O-CB 3.32Å; G707-S710 WeakPolarHBondContact O-CB 3.36Å; G707-S710 PolarHBondContact O-N 3.29Å; G707-S710 PolarHBondContact O-OG 2.9Å; L708-S710 PolarHBondContact O-N 3.15Å; S710-L712 PolarHBondContact O-N 3.08Å; S710-E713 PolarHBondContact O-N 3.27Å; S710-E713 VanDerWaalsContact O-N 3.1Å; S710-S714 PolarHBondContact O-N 3.28Å |
| 711 | Y | 85.9 | Confident | 83.1 | Confident | 20 Ų | 20 | 64 Ų | 64 | 8% | 0.078 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -66.9 | -19.8 | 176 | -65.1 | -65.4 | 0 | 0 | 0 | 113.5 | L708 L709 E713 S714 L817 Q821 H826 K828 L831 | L708-Y711 HydrophobicContact CD1-CD2 4.1Å; L708-Y711 HydrophobicContact CD1-CE2 4.21Å; L708-Y711 WeakPolarHBondContact O-CD2 3.28Å; L708-Y711 PolarHBondContact O-N 3.04Å; L709-Y711 PolarHBondContact O-N 3.02Å; Y711-E713 PolarHBondContact O-N 3.41Å; Y711-S714 PolarHBondContact O-N 3.21Å; Y711-L817 HydrophobicContact CD1-CD2 4.21Å; Y711-Q821 HydrophobicContact CD1-CB 4.49Å; Y711-Q821 HydrophobicContact CD1-CG 3.88Å; Y711-Q821 HydrophobicContact CD2-CB 3.8Å; Y711-Q821 HydrophobicContact CD2-CG 4.04Å; Y711-Q821 HydrophobicContact CE1-CG 4Å; Y711-Q821 HydrophobicContact CE2-CB 3.92Å; Y711-Q821 HydrophobicContact CE2-CG 4.16Å; Y711-Q821 HydrophobicContact CG-CB 4.13Å; Y711-Q821 HydrophobicContact CG-CG 3.9Å; Y711-H826 AromaticContact CE2-CE1 3.92Å; Y711-H826 AromaticContact CZ-CE1 3.83Å; Y711-H826 PolarHBondContact OH-CE1 3.19Å; Y711-H826 PolarHBondContact OH-ND1 3.25Å; Y711-H826 VanDerWaalsContact OH-ND1 3.13Å; Y711-K828 PolarHBondContact OH-NZ 3.23Å; Y711-L831 HydrophobicContact CE2-CD2 3.94Å |
| 712 | L | 85.5 | Confident | 82 | Confident | 4.66667 Ų | 4.66667 | 63.7 Ų | 63.7 | 2% | 0.024 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -70.2 | -23.7 | 174.8 | -68.9 | 167.2 | 0 | 0 | 0 | 112.3 | W697 L709 S710 I813 N814 W815 F818 | W697-L712 HydrophobicContact CH2-CD1 3.91Å; W697-L712 HydrophobicContact CZ3-CD1 3.75Å; L709-L712 HydrophobicContact CB-CD1 4.45Å; L709-L712 HydrophobicContact CD2-CD1 3.66Å; L709-L712 VanDerWaalsContact O-CB 3.24Å; L709-L712 WeakPolarHBondContact O-CB 3.45Å; L709-L712 PolarHBondContact O-N 2.98Å; S710-L712 PolarHBondContact O-N 3.08Å; L712-I813 HydrophobicContact CB-CG2 4.01Å; L712-I813 HydrophobicContact CD2-CG2 3.87Å; L712-I813 HydrophobicContact CG-CG2 4.39Å; L712-N814 PolarHBondContact O-N 3.16Å; L712-W815 HydrophobicContact CD1-CH2 4.22Å; L712-W815 HydrophobicContact CD1-CZ2 4.42Å; L712-W815 HydrophobicContact CD1-CZ3 4.38Å; L712-W815 HydrophobicContact CD2-CD2 3.64Å; L712-W815 HydrophobicContact CD2-CE3 3.66Å; L712-W815 HydrophobicContact CD2-CG 4.08Å; L712-W815 HydrophobicContact CD2-CH2 4.36Å; L712-W815 HydrophobicContact CD2-CZ2 4.35Å; L712-W815 HydrophobicContact CD2-CZ3 4.02Å; L712-F818 HydrophobicContact CD1-CD2 4.13Å; L712-F818 HydrophobicContact CD1-CG 4.48Å; L712-F818 HydrophobicContact CD2-CB 3.4Å; L712-F818 HydrophobicContact CD2-CD2 4.07Å; L712-F818 HydrophobicContact CD2-CG 3.78Å; L712-F818 HydrophobicContact CG-CB 3.95Å; L712-F818 HydrophobicContact CG-CD2 3.87Å; L712-F818 HydrophobicContact CG-CG 4.11Å |
| 713 | E | 82 | Confident | 81 | Confident | 125.667 Ų | 125.667 | 66 Ų | 66 | 59% | 0.587 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -94 | -8.5 | 177.8 | -61.2 | 177.5 | -164.5 | 0 | 0 | 112.5 | S710 Y711 R1041 | S710-E713 PolarHBondContact O-N 3.27Å; S710-E713 VanDerWaalsContact O-N 3.1Å; Y711-E713 PolarHBondContact O-N 3.41Å; E713-R1041 VanDerWaalsContact CD-NH2 3.34Å; E713-R1041 IonicContact OE1-CZ 3.27Å; E713-R1041 IonicContact OE1-NH1 2.71Å; E713-R1041 PolarHBondContact OE1-NH1 2.87Å; E713-R1041 IonicContact OE1-NH2 3.05Å; E713-R1041 IonicContact OE2-CZ 2.83Å; E713-R1041 IonicContact OE2-NH1 3.24Å; E713-R1041 PolarHBondContact OE2-NH1 3.29Å; E713-R1041 IonicContact OE2-NH2 3.11Å; E713-R1041 PolarHBondContact OE2-NH2 2.91Å |
| 714 | S | 78.4 | Confident | 79.9 | Confident | 37.6667 Ų | 37.6667 | 70.3 Ų | 70.3 | 26% | 0.263 | 38% | 0.377 | S | S | . | . | trans | -75 | 138.5 | 177.9 | 179 | 0 | 0 | 0 | 0 | 111.7 | S710 Y711 E716 N814 | S710-S714 PolarHBondContact O-N 3.28Å; Y711-S714 PolarHBondContact O-N 3.21Å; S714-E716 VanDerWaalsContact C-N 3.3Å; S714-E716 PolarHBondContact O-N 3.26Å; S714-E716 WeakPolarHBondContact OG-CB 3.25Å; S714-E716 PolarHBondContact OG-N 3.08Å; S714-E716 VanDerWaalsContact OG-N 3.16Å; S714-N814 VanDerWaalsContact O-CB 3.31Å; S714-N814 WeakPolarHBondContact O-CB 3.25Å; S714-N814 PolarHBondContact O-ND2 3.19Å; S714-N814 VanDerWaalsContact O-ND2 3.12Å | ||
| 715 | T | 75.1 | Confident | 79.2 | Confident | 141.333 Ų | 141.333 | 73.3 Ų | 73.3 | 87% | 0.867 | 39% | 0.392 | S | S | * | . | trans | -84.3 | 2.5 | 174.9 | 56.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 716 | E | 77.5 | Confident | 78.7 | Confident | 107.667 Ų | 107.667 | 73.1 Ų | 73.1 | 50% | 0.503 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 129.9 | -178.9 | -175 | -177.1 | -174.5 | 0 | 0 | 112 | S714 N814 L817 | S714-E716 VanDerWaalsContact C-N 3.3Å; S714-E716 PolarHBondContact O-N 3.26Å; S714-E716 WeakPolarHBondContact OG-CB 3.25Å; S714-E716 PolarHBondContact OG-N 3.08Å; S714-E716 VanDerWaalsContact OG-N 3.16Å; E716-N814 PolarHBondContact O-ND2 3.18Å; E716-L817 HydrophobicContact CB-CD1 4.49Å; E716-L817 HydrophobicContact CB-CD2 4.02Å; E716-L817 HydrophobicContact CG-CD1 4.29Å |
| 717 | E | 77.1 | Confident | 78.3 | Confident | 158.667 Ų | 158.667 | 71.9 Ų | 71.9 | 74% | 0.741 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -80.7 | 139.7 | 173.6 | -65.7 | -160.8 | 148.2 | 0 | 0 | 111.3 | ||
| 718 | P | 77.3 | Confident | 77.9 | Confident | 27.3333 Ų | 27.3333 | 78 Ų | 78 | 18% | 0.177 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 142.4 | 176.4 | 28.3 | -34.6 | 0 | 0 | 0 | 110.8 | V720 R816 L817 Y820 | P718-V720 PolarHBondContact O-N 2.96Å; P718-V720 VanDerWaalsContact O-N 3.11Å; P718-R816 HydrophobicContact CG-CB 3.97Å; P718-L817 HydrophobicContact CB-CD1 4.36Å; P718-Y820 HydrophobicContact CB-CD1 4.31Å; P718-Y820 HydrophobicContact CB-CG 4.12Å |
| 719 | P | 74.5 | Confident | 77.6 | Confident | 92.3333 Ų | 92.3333 | 79.8 Ų | 79.8 | 60% | 0.6 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -69.2 | -13 | -173.5 | 26.7 | -34.9 | 0 | 0 | 0 | 114.2 | Y820 | P719-Y820 VanDerWaalsContact CD-CE1 3.46Å; P719-Y820 HydrophobicContact CG-CE1 3.75Å; P719-Y820 HydrophobicContact CG-CE2 4.05Å; P719-Y820 VanDerWaalsContact CG-OH 3.28Å; P719-Y820 WeakPolarHBondContact CG-OH 3.42Å |
| 720 | V | 73 | Confident | 77.3 | Confident | 90 Ų | 90 | 83.2 Ų | 83.2 | 55% | 0.545 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -106.7 | 120.1 | -177.9 | -176 | 0 | 0 | 0 | 0 | 110.3 | P718 V722 Y820 | P718-V720 PolarHBondContact O-N 2.96Å; P718-V720 VanDerWaalsContact O-N 3.11Å; V720-V722 PolarHBondContact O-N 3.06Å; V720-Y820 HydrophobicContact CG2-CE2 4.31Å |
| 721 | K | 68.3 | Low | 77.4 | Confident | 198.667 Ų | 198.667 | 81.7 Ų | 81.7 | 86% | 0.864 | 43% | 0.432 | S | S | * | . | trans | -71.9 | 112.9 | 170.8 | -68.3 | -174.7 | 178.9 | -178.2 | 0 | 109.7 | I723 | K721-I723 PolarHBondContact O-N 3.34Š| ||
| 722 | V | 68.1 | Low | 77.4 | Confident | 99.6667 Ų | 99.6667 | 86.6 Ų | 86.6 | 60% | 0.604 | 46% | 0.459 | S | S | * | . | trans | -72.6 | 126.1 | 177.6 | -179 | 0 | 0 | 0 | 0 | 109.6 | V720 | V720-V722 PolarHBondContact O-N 3.06Š| ||
| 723 | I | 72.2 | Confident | 77.4 | Confident | 125.333 Ų | 125.333 | 91.8 Ų | 91.8 | 64% | 0.643 | 48% | 0.483 | S | S | * | . | trans | -71.6 | 132.7 | 174.3 | -60.2 | 170.5 | 0 | 0 | 0 | 108.9 | K721 M725 | K721-I723 PolarHBondContact O-N 3.34Å; I723-M725 HydrophobicContact CB-CE 4.14Å; I723-M725 HydrophobicContact CG2-CE 3.79Å; I723-M725 HydrophobicContact CG2-SD 4.37Å; I723-M725 PolarHBondContact O-N 3.09Å | ||
| 724 | N | 72.4 | Confident | 77.5 | Confident | 91.6667 Ų | 91.6667 | 87.2 Ų | 87.2 | 49% | 0.49 | 46% | 0.462 | S | S | . | . | trans | -73 | 114.2 | 174.2 | -144.9 | 6.7 | 0 | 0 | 0 | 110.1 | Q680 L726 | Q680-N724 PolarHBondContact NE2-OD1 3.15Å; N724-L726 PolarHBondContact OD1-N 3.23Å | ||
| 725 | M | 78.2 | Confident | 77.8 | Confident | 69 Ų | 69 | 86 Ų | 86 | 34% | 0.34 | 45% | 0.454 | S | S | . | . | trans | -96 | -1.5 | 177.2 | -63.1 | -71.8 | 151.7 | 0 | 0 | 112.6 | R627 P673 L676 A677 I723 | R627-M725 PolarHBondContact NH2-O 3.21Å; P673-M725 HydrophobicContact CB-SD 4.42Å; L676-M725 HydrophobicContact CB-CG 4.13Å; L676-M725 HydrophobicContact CD1-CE 4.23Å; A677-M725 HydrophobicContact CB-CB 3.95Å; A677-M725 WeakPolarHBondContact CB-O 3.4Å; I723-M725 HydrophobicContact CB-CE 4.14Å; I723-M725 HydrophobicContact CG2-CE 3.79Å; I723-M725 HydrophobicContact CG2-SD 4.37Å; I723-M725 PolarHBondContact O-N 3.09Å | ||
| 726 | L | 78.8 | Confident | 78.3 | Confident | 20.6667 Ų | 20.6667 | 84.9 Ų | 84.9 | 11% | 0.108 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -82.1 | 153.7 | 174.9 | -64.8 | 174.9 | 0 | 0 | 0 | 110.7 | A677 L681 N724 D728 | A677-L726 HydrophobicContact CB-CD2 4.48Å; L681-L726 HydrophobicContact CB-CD2 4.36Å; L681-L726 HydrophobicContact CD1-CD2 4.17Å; N724-L726 PolarHBondContact OD1-N 3.23Å; L726-D728 PolarHBondContact O-N 3.29Å; L726-D728 VanDerWaalsContact O-N 3.16Å |
| 727 | P | 75.1 | Confident | 78.6 | Confident | 46.6667 Ų | 46.6667 | 83 Ų | 83 | 30% | 0.303 | 43% | 0.43 | S | S | . | . | trans | -56.2 | 127.6 | 178.6 | -21.4 | 32.8 | 0 | 0 | 0 | 110.8 | P590 Y591 R627 M631 | P590-P727 WeakPolarHBondContact CD-O 3.43Å; Y591-P727 HydrophobicContact CE2-CB 4.38Å; R627-P727 VanDerWaalsContact NH2-CD 3.26Å; M631-P727 HydrophobicContact CE-CG 4.32Å; M631-P727 HydrophobicContact SD-CG 4.42Å | ||
| 728 | D | 75.9 | Confident | 78.9 | Confident | 135 Ų | 135 | 76.4 Ų | 76.4 | 72% | 0.722 | 40% | 0.399 | S | S | * | . | trans | -118.8 | 139.4 | 177.5 | -162.1 | 1 | 0 | 0 | 0 | 109.3 | L726 | L726-D728 PolarHBondContact O-N 3.29Å; L726-D728 VanDerWaalsContact O-N 3.16Å | ||
| 729 | R | 81.5 | Confident | 79.1 | Confident | 37.6667 Ų | 37.6667 | 77.9 Ų | 77.9 | 14% | 0.142 | 40% | 0.404 | C | S | . | . | trans | -157.2 | 113.3 | 179 | -172.1 | 177.7 | 80.5 | 165.9 | 1.6 | 108.2 | H531 E542 P590 N731 L734 | H531-R729 PolarHBondContact ND1-NH1 2.96Å; E542-R729 IonicContact OE1-CZ 2.93Å; E542-R729 IonicContact OE1-NH1 3.41Å; E542-R729 PolarHBondContact OE1-NH1 3.46Å; E542-R729 IonicContact OE1-NH2 3.39Å; E542-R729 PolarHBondContact OE1-NH2 2.92Å; E542-R729 IonicContact OE2-CZ 3.34Å; E542-R729 IonicContact OE2-NH1 3.47Å; E542-R729 PolarHBondContact OE2-NH1 3.32Å; E542-R729 IonicContact OE2-NH2 3.02Å; E542-R729 PolarHBondContact OE2-NH2 2.99Å; P590-R729 HydrophobicContact CB-CB 4.15Å; P590-R729 WeakPolarHBondContact CB-O 3.32Å; P590-R729 HydrophobicContact CG-CB 3.58Å; R729-N731 VanDerWaalsContact C-N 3.32Å; R729-N731 PolarHBondContact NE-OD1 3.14Å; R729-N731 PolarHBondContact NH2-OD1 3.06Å; R729-N731 PolarHBondContact O-N 2.97Å; R729-L734 HydrophobicContact CG-CD1 4.09Å | ||
| 730 | D | 82.5 | Confident | 79.5 | Confident | 86 Ų | 86 | 77.2 Ų | 77.2 | 46% | 0.46 | 39% | 0.394 | S | S | . | . | trans | -75.9 | 87.3 | 177.1 | -166.2 | -18.1 | 0 | 0 | 0 | 110.8 | L732 Q733 L734 | D730-L732 PolarHBondContact O-N 3.19Å; D730-L732 WeakPolarHBondContact OD1-CA 3.39Å; D730-L732 VanDerWaalsContact OD1-CB 3.28Å; D730-L732 WeakPolarHBondContact OD1-CB 3.36Å; D730-L732 PolarHBondContact OD1-N 3.13Å; D730-Q733 HydrophobicContact CB-CB 3.93Å; D730-Q733 VanDerWaalsContact CG-CB 3.49Å; D730-Q733 PolarHBondContact O-N 3.11Å; D730-Q733 PolarHBondContact OD1-N 3.31Å; D730-L734 WeakPolarHBondContact O-CG 3.35Å; D730-L734 PolarHBondContact O-N 3.16Å; D730-L734 VanDerWaalsContact O-N 3.11Å | ||
| 731 | N | 85.9 | Confident | 79.9 | Confident | 1 Ų | 1 | 77.7 Ų | 77.7 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.1 | -26.8 | 175.4 | -64.4 | -46 | 0 | 0 | 0 | 112.3 | I539 P590 E593 R729 L734 A735 L792 | I539-N731 HydrophobicContact CD1-CB 3.82Å; I539-N731 WeakPolarHBondContact CD1-O 3.46Å; P590-N731 PolarHBondContact O-ND2 3.16Å; E593-N731 WeakPolarHBondContact OE2-CB 3.34Å; E593-N731 PolarHBondContact OE2-ND2 2.99Å; R729-N731 VanDerWaalsContact C-N 3.32Å; R729-N731 PolarHBondContact NE-OD1 3.14Å; R729-N731 PolarHBondContact NH2-OD1 3.06Å; R729-N731 PolarHBondContact O-N 2.97Å; N731-L734 PolarHBondContact O-N 3.03Å; N731-A735 VanDerWaalsContact O-CB 3.26Å; N731-A735 WeakPolarHBondContact O-CB 3.4Å; N731-A735 PolarHBondContact O-N 2.86Å; N731-L792 HydrophobicContact CB-CD1 3.77Å; N731-L792 HydrophobicContact CB-CD2 4.18Å |
| 732 | L | 85.7 | Confident | 80.4 | Confident | 122.667 Ų | 122.667 | 69.1 Ų | 69.1 | 64% | 0.642 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -69.9 | -43.3 | 178.7 | -179 | 66.7 | 0 | 0 | 0 | 109.9 | D730 L734 A735 H736 L792 | D730-L732 PolarHBondContact O-N 3.19Å; D730-L732 WeakPolarHBondContact OD1-CA 3.39Å; D730-L732 VanDerWaalsContact OD1-CB 3.28Å; D730-L732 WeakPolarHBondContact OD1-CB 3.36Å; D730-L732 PolarHBondContact OD1-N 3.13Å; L732-L734 VanDerWaalsContact C-N 3.34Å; L732-L734 PolarHBondContact O-N 3.03Å; L732-A735 PolarHBondContact O-N 2.91Å; L732-H736 VanDerWaalsContact O-CB 3.31Å; L732-H736 WeakPolarHBondContact O-CB 3.34Å; L732-H736 PolarHBondContact O-N 2.94Å; L732-L792 HydrophobicContact CB-CD1 4.48Å |
| 733 | Q | 86.6 | Confident | 81 | Confident | 114 Ų | 114 | 68.7 Ų | 68.7 | 53% | 0.533 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.3 | -48.1 | 170.3 | -175.9 | -177.7 | -7.8 | 0 | 0 | 110.9 | D730 A735 H736 E737 | D730-Q733 HydrophobicContact CB-CB 3.93Å; D730-Q733 VanDerWaalsContact CG-CB 3.49Å; D730-Q733 PolarHBondContact O-N 3.11Å; D730-Q733 PolarHBondContact OD1-N 3.31Å; Q733-A735 VanDerWaalsContact C-N 3.31Å; Q733-A735 PolarHBondContact O-N 2.98Å; Q733-H736 PolarHBondContact O-N 3.37Å; Q733-H736 VanDerWaalsContact O-N 3.13Å; Q733-E737 HydrophobicContact CG-CG 4.37Å; Q733-E737 PolarHBondContact NE2-OE1 2.72Å; Q733-E737 WeakPolarHBondContact O-CB 3.08Å; Q733-E737 WeakPolarHBondContact O-CG 3.3Å; Q733-E737 PolarHBondContact O-N 3.05Å |
| 734 | L | 83.9 | Confident | 81.4 | Confident | 28.3333 Ų | 28.3333 | 68.1 Ų | 68.1 | 15% | 0.148 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.8 | -38.9 | 178.5 | -68.9 | 175 | 0 | 0 | 0 | 112.8 | P537 I539 R729 D730 N731 L732 E737 H738 | P537-L734 HydrophobicContact CG-CD1 4.39Å; P537-L734 HydrophobicContact CG-CD2 4.11Å; I539-L734 HydrophobicContact CB-CB 4.38Å; I539-L734 HydrophobicContact CD1-CB 3.98Å; I539-L734 HydrophobicContact CG2-CB 4.4Å; R729-L734 HydrophobicContact CG-CD1 4.09Å; D730-L734 WeakPolarHBondContact O-CG 3.35Å; D730-L734 PolarHBondContact O-N 3.16Å; D730-L734 VanDerWaalsContact O-N 3.11Å; N731-L734 PolarHBondContact O-N 3.03Å; L732-L734 VanDerWaalsContact C-N 3.34Å; L732-L734 PolarHBondContact O-N 3.03Å; L734-E737 PolarHBondContact O-N 2.74Å; L734-H738 WeakPolarHBondContact O-CB 3.36Å; L734-H738 PolarHBondContact O-N 3.05Å |
| 735 | A | 84.2 | Confident | 81.6 | Confident | 11.6667 Ų | 11.6667 | 70.9 Ų | 70.9 | 10% | 0.096 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.8 | -38.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I539 N731 L732 Q733 H738 M739 V790 L792 | I539-A735 HydrophobicContact CG2-CB 4.4Å; N731-A735 VanDerWaalsContact O-CB 3.26Å; N731-A735 WeakPolarHBondContact O-CB 3.4Å; N731-A735 PolarHBondContact O-N 2.86Å; L732-A735 PolarHBondContact O-N 2.91Å; Q733-A735 VanDerWaalsContact C-N 3.31Å; Q733-A735 PolarHBondContact O-N 2.98Å; A735-H738 WeakPolarHBondContact O-CB 3.3Å; A735-H738 PolarHBondContact O-N 3.24Å; A735-M739 PolarHBondContact O-N 2.94Å; A735-M739 VanDerWaalsContact O-N 3.09Å; A735-V790 HydrophobicContact CB-CB 4.06Å; A735-V790 HydrophobicContact CB-CG1 4.1Å; A735-L792 HydrophobicContact CB-CD1 4.31Å; A735-L792 HydrophobicContact CB-CG 4.35Å |
| 736 | H | 86.3 | Confident | 81.6 | Confident | 119.667 Ų | 119.667 | 71 Ų | 71 | 55% | 0.554 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -67.3 | -45.7 | 175 | -175.4 | 67 | 0 | 0 | 0 | 111.5 | L732 Q733 H738 M739 M740 | L732-H736 VanDerWaalsContact O-CB 3.31Å; L732-H736 WeakPolarHBondContact O-CB 3.34Å; L732-H736 PolarHBondContact O-N 2.94Å; Q733-H736 PolarHBondContact O-N 3.37Å; Q733-H736 VanDerWaalsContact O-N 3.13Å; H736-H738 VanDerWaalsContact C-N 3.29Å; H736-H738 PolarHBondContact O-N 2.98Å; H736-M739 WeakPolarHBondContact O-CA 3.42Å; H736-M739 VanDerWaalsContact O-CB 3.31Å; H736-M739 WeakPolarHBondContact O-CB 3.44Å; H736-M739 PolarHBondContact O-N 2.99Å; H736-M739 VanDerWaalsContact O-N 3.09Å; H736-M740 WeakPolarHBondContact O-CG 3.43Å; H736-M740 PolarHBondContact O-N 3.09Å |
| 737 | E | 84 | Confident | 81.5 | Confident | 66.6667 Ų | 66.6667 | 76.4 Ų | 76.4 | 31% | 0.312 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.3 | -37.4 | 174.4 | -96.7 | -175.5 | -169.6 | 0 | 0 | 111.9 | Q733 L734 M739 M740 R741 | Q733-E737 HydrophobicContact CG-CG 4.37Å; Q733-E737 PolarHBondContact NE2-OE1 2.72Å; Q733-E737 WeakPolarHBondContact O-CB 3.08Å; Q733-E737 WeakPolarHBondContact O-CG 3.3Å; Q733-E737 PolarHBondContact O-N 3.05Å; L734-E737 PolarHBondContact O-N 2.74Å; E737-M739 VanDerWaalsContact C-N 3.34Å; E737-M739 PolarHBondContact O-N 3.29Å; E737-M740 PolarHBondContact O-N 3.28Å; E737-R741 VanDerWaalsContact CD-NH1 3.31Å; E737-R741 WeakPolarHBondContact O-CD 3.47Å; E737-R741 WeakPolarHBondContact O-CG 3.28Å; E737-R741 PolarHBondContact O-N 3.14Å; E737-R741 PolarHBondContact O-NH1 3.5Å; E737-R741 IonicContact OE1-CZ 3.17Å; E737-R741 IonicContact OE1-NH1 2.7Å; E737-R741 IonicContact OE1-NH2 3.96Å; E737-R741 PolarHBondContact OE1-NH2 2.79Å; E737-R741 IonicContact OE2-CZ 3.85Å; E737-R741 VanDerWaalsContact OE2-CZ 3.31Å; E737-R741 IonicContact OE2-NH1 3.98Å; E737-R741 PolarHBondContact OE2-NH1 3.32Å; E737-R741 VanDerWaalsContact OE2-NH1 3.07Å; E737-R741 IonicContact OE2-NH2 3.33Å; E737-R741 PolarHBondContact OE2-NH2 3.32Å |
| 738 | H | 82.4 | Confident | 81.6 | Confident | 20 Ų | 20 | 77.3 Ų | 77.3 | 9% | 0.093 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 172.4 | 177.2 | -83.5 | 0 | 0 | 0 | 111.7 | D538 I539 R540 L734 A735 H736 R741 I742 V790 | D538-H738 IonicContact OD1-CD2 3.7Å; D538-H738 PolarHBondContact OD1-CD2 3.36Å; D538-H738 IonicContact OD1-NE2 3.63Å; D538-H738 PolarHBondContact OD1-NE2 2.72Å; I539-H738 HydrophobicContact CG2-CB 4.26Å; R540-H738 WeakPolarHBondContact CB-NE2 3.38Å; L734-H738 WeakPolarHBondContact O-CB 3.36Å; L734-H738 PolarHBondContact O-N 3.05Å; A735-H738 WeakPolarHBondContact O-CB 3.3Å; A735-H738 PolarHBondContact O-N 3.24Å; H736-H738 VanDerWaalsContact C-N 3.29Å; H736-H738 PolarHBondContact O-N 2.98Å; H738-R741 PolarHBondContact O-N 3.28Å; H738-I742 WeakPolarHBondContact CE1-CD1 3.34Å; H738-I742 WeakPolarHBondContact O-CG1 3.46Å; H738-I742 PolarHBondContact O-N 2.99Å; H738-I742 VanDerWaalsContact O-N 3.16Å; H738-V790 HydrophobicContact CB-CG2 4.4Å; H738-V790 WeakPolarHBondContact ND1-CG2 3.45Å |
| 739 | M | 81.9 | Confident | 81.6 | Confident | 58.3333 Ų | 58.3333 | 77.3 Ų | 77.3 | 29% | 0.287 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 173.6 | -171.6 | 70.4 | 77.2 | 0 | 0 | 111.9 | A735 H736 E737 R741 I742 E743 P789 | A735-M739 PolarHBondContact O-N 2.94Å; A735-M739 VanDerWaalsContact O-N 3.09Å; H736-M739 WeakPolarHBondContact O-CA 3.42Å; H736-M739 VanDerWaalsContact O-CB 3.31Å; H736-M739 WeakPolarHBondContact O-CB 3.44Å; H736-M739 PolarHBondContact O-N 2.99Å; H736-M739 VanDerWaalsContact O-N 3.09Å; E737-M739 VanDerWaalsContact C-N 3.34Å; E737-M739 PolarHBondContact O-N 3.29Å; M739-R741 VanDerWaalsContact C-N 3.3Å; M739-R741 PolarHBondContact O-N 3.11Å; M739-I742 CarbonylContact O-C 3.41Å; M739-I742 WeakPolarHBondContact O-CA 3.36Å; M739-I742 WeakPolarHBondContact O-CB 3.38Å; M739-I742 PolarHBondContact O-N 3.07Å; M739-E743 HydrophobicContact CG-CG 4.42Å; M739-E743 WeakPolarHBondContact CG-OE1 3.39Å; M739-E743 PolarHBondContact O-N 2.97Å; M739-P789 HydrophobicContact CE-CB 3.55Å; M739-P789 VanDerWaalsContact CE-CB 3.43Å; M739-P789 HydrophobicContact CE-CG 4.18Å |
| 740 | M | 83.4 | Confident | 81.1 | Confident | 78.3333 Ų | 78.3333 | 79.3 Ų | 79.3 | 39% | 0.386 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.4 | -43.2 | 179 | -70.2 | -60.4 | -61.8 | 0 | 0 | 111.5 | H736 E737 I742 E743 E744 | H736-M740 WeakPolarHBondContact O-CG 3.43Å; H736-M740 PolarHBondContact O-N 3.09Å; E737-M740 PolarHBondContact O-N 3.28Å; M740-I742 VanDerWaalsContact C-N 3.28Å; M740-I742 PolarHBondContact O-N 3.2Å; M740-E743 PolarHBondContact O-N 3.19Å; M740-E743 VanDerWaalsContact O-N 3.15Å; M740-E744 WeakPolarHBondContact O-CB 3.33Å; M740-E744 VanDerWaalsContact O-CG 3.3Å; M740-E744 WeakPolarHBondContact O-CG 3.18Å; M740-E744 PolarHBondContact O-N 3.13Å |
| 741 | R | 80.3 | Confident | 80.7 | Confident | 101 Ų | 101 | 77.8 Ų | 77.8 | 38% | 0.381 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.5 | -33.9 | 174.9 | -69.8 | 172.8 | -168.6 | 114.4 | 1.1 | 113 | E737 H738 M739 R745 | E737-R741 VanDerWaalsContact CD-NH1 3.31Å; E737-R741 WeakPolarHBondContact O-CD 3.47Å; E737-R741 WeakPolarHBondContact O-CG 3.28Å; E737-R741 PolarHBondContact O-N 3.14Å; E737-R741 PolarHBondContact O-NH1 3.5Å; E737-R741 IonicContact OE1-CZ 3.17Å; E737-R741 IonicContact OE1-NH1 2.7Å; E737-R741 IonicContact OE1-NH2 3.96Å; E737-R741 PolarHBondContact OE1-NH2 2.79Å; E737-R741 IonicContact OE2-CZ 3.85Å; E737-R741 VanDerWaalsContact OE2-CZ 3.31Å; E737-R741 IonicContact OE2-NH1 3.98Å; E737-R741 PolarHBondContact OE2-NH1 3.32Å; E737-R741 VanDerWaalsContact OE2-NH1 3.07Å; E737-R741 IonicContact OE2-NH2 3.33Å; E737-R741 PolarHBondContact OE2-NH2 3.32Å; H738-R741 PolarHBondContact O-N 3.28Å; M739-R741 VanDerWaalsContact C-N 3.3Å; M739-R741 PolarHBondContact O-N 3.11Å; R741-R745 VanDerWaalsContact O-CB 3.28Å; R741-R745 WeakPolarHBondContact O-CB 3.37Å; R741-R745 PolarHBondContact O-N 3.04Å; R741-R745 VanDerWaalsContact O-N 3.14Å |
| 742 | I | 78.9 | Confident | 80.2 | Confident | 18.3333 Ų | 18.3333 | 82.1 Ų | 82.1 | 9% | 0.094 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -70.3 | -44.9 | 174.2 | -69.9 | 166.3 | 0 | 0 | 0 | 110.3 | H738 M739 M740 R745 K746 E787 | H738-I742 WeakPolarHBondContact CE1-CD1 3.34Å; H738-I742 WeakPolarHBondContact O-CG1 3.46Å; H738-I742 PolarHBondContact O-N 2.99Å; H738-I742 VanDerWaalsContact O-N 3.16Å; M739-I742 CarbonylContact O-C 3.41Å; M739-I742 WeakPolarHBondContact O-CA 3.36Å; M739-I742 WeakPolarHBondContact O-CB 3.38Å; M739-I742 PolarHBondContact O-N 3.07Å; M740-I742 VanDerWaalsContact C-N 3.28Å; M740-I742 PolarHBondContact O-N 3.2Å; I742-R745 WeakPolarHBondContact O-CB 3.27Å; I742-R745 PolarHBondContact O-N 3.14Å; I742-K746 HydrophobicContact CG2-CD 4.05Å; I742-K746 HydrophobicContact CG2-CG 4.43Å; I742-K746 WeakPolarHBondContact O-CB 3.26Å; I742-K746 VanDerWaalsContact O-CG 3.28Å; I742-K746 WeakPolarHBondContact O-CG 3.42Å; I742-K746 PolarHBondContact O-N 3.09Å; I742-E787 HydrophobicContact CG2-CG 4.33Å |
| 743 | E | 80.9 | Confident | 79.8 | Confident | 89.6667 Ų | 89.6667 | 81.1 Ų | 81.1 | 42% | 0.419 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 179.1 | -98 | 152.5 | -167.6 | 0 | 0 | 111.8 | M739 M740 R745 K746 Q747 | M739-E743 HydrophobicContact CG-CG 4.42Å; M739-E743 WeakPolarHBondContact CG-OE1 3.39Å; M739-E743 PolarHBondContact O-N 2.97Å; M740-E743 PolarHBondContact O-N 3.19Å; M740-E743 VanDerWaalsContact O-N 3.15Å; E743-R745 VanDerWaalsContact C-N 3.33Å; E743-R745 PolarHBondContact O-N 2.99Å; E743-K746 CarbonylContact O-C 3.49Å; E743-K746 WeakPolarHBondContact O-CA 3.3Å; E743-K746 WeakPolarHBondContact O-CB 3.43Å; E743-K746 PolarHBondContact O-N 3.16Å; E743-K746 VanDerWaalsContact O-N 3.13Å; E743-Q747 VanDerWaalsContact O-CG 3.3Å; E743-Q747 WeakPolarHBondContact O-CG 3.39Å; E743-Q747 PolarHBondContact O-N 3.1Å; E743-Q747 VanDerWaalsContact O-N 3.09Å |
| 744 | E | 81.2 | Confident | 79.2 | Confident | 114.667 Ų | 114.667 | 80.3 Ų | 80.3 | 54% | 0.536 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57.7 | -45.8 | 172.7 | -73.6 | 173 | 179.9 | 0 | 0 | 111.4 | M740 K746 Q747 T748 | M740-E744 WeakPolarHBondContact O-CB 3.33Å; M740-E744 VanDerWaalsContact O-CG 3.3Å; M740-E744 WeakPolarHBondContact O-CG 3.18Å; M740-E744 PolarHBondContact O-N 3.13Å; E744-K746 VanDerWaalsContact C-N 3.31Å; E744-K746 PolarHBondContact O-N 2.94Å; E744-Q747 PolarHBondContact O-N 3.14Å; E744-Q747 VanDerWaalsContact O-N 3.16Å; E744-T748 WeakPolarHBondContact O-CG2 3.3Å; E744-T748 PolarHBondContact O-N 2.97Å; E744-T748 PolarHBondContact O-OG1 3.11Å |
| 745 | R | 76.9 | Confident | 78.7 | Confident | 148.667 Ų | 148.667 | 81.3 Ų | 81.3 | 56% | 0.561 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.2 | -42 | 175.2 | -176.1 | 179.4 | -102.9 | 175.9 | -2.1 | 111.2 | R741 I742 E743 Q747 T748 Y751 | R741-R745 VanDerWaalsContact O-CB 3.28Å; R741-R745 WeakPolarHBondContact O-CB 3.37Å; R741-R745 PolarHBondContact O-N 3.04Å; R741-R745 VanDerWaalsContact O-N 3.14Å; I742-R745 WeakPolarHBondContact O-CB 3.27Å; I742-R745 PolarHBondContact O-N 3.14Å; E743-R745 VanDerWaalsContact C-N 3.33Å; E743-R745 PolarHBondContact O-N 2.99Å; R745-Q747 VanDerWaalsContact C-N 3.3Å; R745-Q747 PolarHBondContact O-N 2.95Å; R745-T748 VanDerWaalsContact O-CB 3.3Å; R745-T748 WeakPolarHBondContact O-CB 3.4Å; R745-T748 PolarHBondContact O-N 3.27Å; R745-T748 VanDerWaalsContact O-N 3.13Å; R745-T748 PolarHBondContact O-OG1 2.88Å; R745-Y751 HydrophobicContact CG-CD2 4.05Å; R745-Y751 WeakPolarHBondContact O-CB 3.39Å |
| 746 | K | 76.7 | Confident | 78.3 | Confident | 71.6667 Ų | 71.6667 | 87.5 Ų | 87.5 | 31% | 0.312 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.8 | -30.1 | 177.5 | -74.4 | 179.9 | 175 | -175 | 0 | 113.2 | I742 E743 E744 T748 Y751 E787 | I742-K746 HydrophobicContact CG2-CD 4.05Å; I742-K746 HydrophobicContact CG2-CG 4.43Å; I742-K746 WeakPolarHBondContact O-CB 3.26Å; I742-K746 VanDerWaalsContact O-CG 3.28Å; I742-K746 WeakPolarHBondContact O-CG 3.42Å; I742-K746 PolarHBondContact O-N 3.09Å; E743-K746 CarbonylContact O-C 3.49Å; E743-K746 WeakPolarHBondContact O-CA 3.3Å; E743-K746 WeakPolarHBondContact O-CB 3.43Å; E743-K746 PolarHBondContact O-N 3.16Å; E743-K746 VanDerWaalsContact O-N 3.13Å; E744-K746 VanDerWaalsContact C-N 3.31Å; E744-K746 PolarHBondContact O-N 2.94Å; K746-T748 VanDerWaalsContact C-N 3.33Å; K746-Y751 HydrophobicContact CB-CD1 4.18Å; K746-Y751 HydrophobicContact CB-CE1 4.17Å; K746-Y751 HydrophobicContact CD-CE1 4.47Å; K746-Y751 VanDerWaalsContact CE-OH 3.27Å; K746-Y751 WeakPolarHBondContact CE-OH 3.28Å; K746-Y751 HydrophobicContact CG-CD1 4.11Å; K746-Y751 HydrophobicContact CG-CD2 4.48Å; K746-Y751 HydrophobicContact CG-CE1 3.69Å; K746-Y751 HydrophobicContact CG-CE2 4.21Å; K746-Y751 HydrophobicContact CG-CG 4.42Å; K746-Y751 WeakPolarHBondContact O-CD1 3.37Å; K746-E787 WeakPolarHBondContact CE-OE2 3.41Å; K746-E787 IonicContact NZ-OE2 3.39Å; K746-E787 PolarHBondContact NZ-OE2 3.19Å |
| 747 | Q | 77 | Confident | 77.9 | Confident | 133.667 Ų | 133.667 | 85.7 Ų | 85.7 | 63% | 0.625 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -76 | -19.1 | 175.4 | -69.4 | 174 | 20.8 | 0 | 0 | 113.1 | E743 E744 R745 I749 Q752 | E743-Q747 VanDerWaalsContact O-CG 3.3Å; E743-Q747 WeakPolarHBondContact O-CG 3.39Å; E743-Q747 PolarHBondContact O-N 3.1Å; E743-Q747 VanDerWaalsContact O-N 3.09Å; E744-Q747 PolarHBondContact O-N 3.14Å; E744-Q747 VanDerWaalsContact O-N 3.16Å; R745-Q747 VanDerWaalsContact C-N 3.3Å; R745-Q747 PolarHBondContact O-N 2.95Å; Q747-I749 PolarHBondContact O-N 3.16Å; Q747-Q752 PolarHBondContact O-NE2 3.49Å; Q747-Q752 VanDerWaalsContact O-NE2 3.14Å |
| 748 | T | 78.3 | Confident | 77.4 | Confident | 65.3333 Ų | 65.3333 | 84.7 Ų | 84.7 | 40% | 0.401 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -63.2 | 138.8 | 178.8 | 37.4 | 0 | 0 | 0 | 0 | 111.7 | E744 R745 K746 S750 Y751 Q752 | E744-T748 WeakPolarHBondContact O-CG2 3.3Å; E744-T748 PolarHBondContact O-N 2.97Å; E744-T748 PolarHBondContact O-OG1 3.11Å; R745-T748 VanDerWaalsContact O-CB 3.3Å; R745-T748 WeakPolarHBondContact O-CB 3.4Å; R745-T748 PolarHBondContact O-N 3.27Å; R745-T748 VanDerWaalsContact O-N 3.13Å; R745-T748 PolarHBondContact O-OG1 2.88Å; K746-T748 VanDerWaalsContact C-N 3.33Å; T748-S750 PolarHBondContact O-N 3.29Å; T748-S750 VanDerWaalsContact O-N 3.14Å; T748-Y751 WeakPolarHBondContact O-CB 3.44Å; T748-Y751 PolarHBondContact O-N 3.35Å; T748-Y751 VanDerWaalsContact O-N 3.11Å; T748-Y751 WeakPolarHBondContact OG1-CB 3.42Å; T748-Y751 PolarHBondContact OG1-N 2.94Å; T748-Q752 PolarHBondContact O-N 3.11Å; T748-Q752 VanDerWaalsContact O-N 3.11Å |
| 749 | I | 74.4 | Confident | 77.1 | Confident | 135.333 Ų | 135.333 | 88.9 Ų | 88.9 | 69% | 0.694 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -54.5 | -40.6 | 179 | -62.2 | 171.9 | 0 | 0 | 0 | 110.8 | Q747 Y751 Q752 L753 | Q747-I749 PolarHBondContact O-N 3.16Å; I749-Y751 VanDerWaalsContact C-N 3.31Å; I749-Y751 PolarHBondContact O-N 3.09Å; I749-Q752 PolarHBondContact O-N 3.27Å; I749-L753 VanDerWaalsContact O-CB 3.23Å; I749-L753 WeakPolarHBondContact O-CB 3.35Å; I749-L753 PolarHBondContact O-N 3.19Å |
| 750 | S | 72.3 | Confident | 76.9 | Confident | 80.3333 Ų | 80.3333 | 91.6 Ų | 91.6 | 56% | 0.562 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -57.5 | -44.8 | 177.7 | -51.3 | 0 | 0 | 0 | 0 | 112.2 | T748 L753 E754 | T748-S750 PolarHBondContact O-N 3.29Å; T748-S750 VanDerWaalsContact O-N 3.14Å; S750-L753 PolarHBondContact O-N 3.35Å; S750-E754 WeakPolarHBondContact O-CB 3.31Å; S750-E754 WeakPolarHBondContact O-CG 3.1Å; S750-E754 PolarHBondContact O-N 3.28Å |
| 751 | Y | 73.3 | Confident | 76.5 | Confident | 54.6667 Ų | 54.6667 | 90.8 Ų | 90.8 | 21% | 0.214 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -67.8 | -44.5 | 178 | -174.6 | -82 | 0 | 0 | 0 | 111.8 | R745 K746 T748 I749 L753 E754 S755 E787 | R745-Y751 HydrophobicContact CG-CD2 4.05Å; R745-Y751 WeakPolarHBondContact O-CB 3.39Å; K746-Y751 HydrophobicContact CB-CD1 4.18Å; K746-Y751 HydrophobicContact CB-CE1 4.17Å; K746-Y751 HydrophobicContact CD-CE1 4.47Å; K746-Y751 VanDerWaalsContact CE-OH 3.27Å; K746-Y751 WeakPolarHBondContact CE-OH 3.28Å; K746-Y751 HydrophobicContact CG-CD1 4.11Å; K746-Y751 HydrophobicContact CG-CD2 4.48Å; K746-Y751 HydrophobicContact CG-CE1 3.69Å; K746-Y751 HydrophobicContact CG-CE2 4.21Å; K746-Y751 HydrophobicContact CG-CG 4.42Å; K746-Y751 WeakPolarHBondContact O-CD1 3.37Å; T748-Y751 WeakPolarHBondContact O-CB 3.44Å; T748-Y751 PolarHBondContact O-N 3.35Å; T748-Y751 VanDerWaalsContact O-N 3.11Å; T748-Y751 WeakPolarHBondContact OG1-CB 3.42Å; T748-Y751 PolarHBondContact OG1-N 2.94Å; I749-Y751 VanDerWaalsContact C-N 3.31Å; I749-Y751 PolarHBondContact O-N 3.09Å; Y751-L753 PolarHBondContact O-N 3.2Å; Y751-E754 PolarHBondContact O-N 3.25Å; Y751-S755 WeakPolarHBondContact O-CB 3.35Å; Y751-S755 PolarHBondContact O-N 3.35Å; Y751-E787 WeakPolarHBondContact CE2-OE1 3.41Å; Y751-E787 VanDerWaalsContact OH-CD 3.31Å; Y751-E787 PolarHBondContact OH-OE1 3.06Å; Y751-E787 PolarHBondContact OH-OE2 3.25Å |
| 752 | Q | 75.3 | Confident | 76.2 | Confident | 91.3333 Ų | 91.3333 | 87.8 Ų | 87.8 | 43% | 0.427 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.7 | -33.8 | 176.2 | -65.4 | -174.8 | 9.4 | 0 | 0 | 112.1 | Q747 T748 I749 K756 | Q747-Q752 PolarHBondContact O-NE2 3.49Å; Q747-Q752 VanDerWaalsContact O-NE2 3.14Å; T748-Q752 PolarHBondContact O-N 3.11Å; T748-Q752 VanDerWaalsContact O-N 3.11Å; I749-Q752 PolarHBondContact O-N 3.27Å; Q752-K756 WeakPolarHBondContact O-CB 3.41Å; Q752-K756 WeakPolarHBondContact O-CD 3.33Å; Q752-K756 VanDerWaalsContact O-CG 3.27Å; Q752-K756 WeakPolarHBondContact O-CG 3.41Å; Q752-K756 PolarHBondContact O-N 3.04Å; Q752-K756 VanDerWaalsContact O-N 3.12Å |
| 753 | L | 77.3 | Confident | 76.1 | Confident | 101.667 Ų | 101.667 | 91.7 Ų | 91.7 | 53% | 0.532 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -72.6 | -46.2 | 176.1 | -160.3 | 97.7 | 0 | 0 | 0 | 111.1 | I749 S750 Y751 S755 K756 I757 | I749-L753 VanDerWaalsContact O-CB 3.23Å; I749-L753 WeakPolarHBondContact O-CB 3.35Å; I749-L753 PolarHBondContact O-N 3.19Å; S750-L753 PolarHBondContact O-N 3.35Å; Y751-L753 PolarHBondContact O-N 3.2Å; L753-S755 PolarHBondContact O-N 3.44Å; L753-K756 PolarHBondContact O-N 3.05Å; L753-I757 HydrophobicContact CD1-CD1 4.33Å; L753-I757 HydrophobicContact CD2-CD1 3.96Å; L753-I757 HydrophobicContact CG-CD1 4.07Å; L753-I757 WeakPolarHBondContact O-CB 3.36Å; L753-I757 WeakPolarHBondContact O-CD1 3.37Å; L753-I757 VanDerWaalsContact O-CG1 3.22Å; L753-I757 WeakPolarHBondContact O-CG1 3.31Å; L753-I757 PolarHBondContact O-N 3.06Å |
| 754 | E | 74.7 | Confident | 75.9 | Confident | 96 Ų | 96 | 94.2 Ų | 94.2 | 45% | 0.449 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56.9 | -48.3 | 173.6 | -80.4 | -176.2 | -154.3 | 0 | 0 | 111.4 | S750 Y751 I757 D758 K783 | S750-E754 WeakPolarHBondContact O-CB 3.31Å; S750-E754 WeakPolarHBondContact O-CG 3.1Å; S750-E754 PolarHBondContact O-N 3.28Å; Y751-E754 PolarHBondContact O-N 3.25Å; E754-I757 PolarHBondContact O-N 3.16Å; E754-D758 WeakPolarHBondContact O-CB 3.37Å; E754-D758 PolarHBondContact O-N 2.87Å; E754-K783 IonicContact OE2-NZ 3.16Å; E754-K783 PolarHBondContact OE2-NZ 3.28Å |
| 755 | S | 72.3 | Confident | 75.6 | Confident | 49.3333 Ų | 49.3333 | 91.2 Ų | 91.2 | 35% | 0.345 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 177.3 | 165.8 | 0 | 0 | 0 | 0 | 112 | Y751 L753 I757 D758 D759 | Y751-S755 WeakPolarHBondContact O-CB 3.35Å; Y751-S755 PolarHBondContact O-N 3.35Å; L753-S755 PolarHBondContact O-N 3.44Å; S755-I757 VanDerWaalsContact C-N 3.32Å; S755-I757 PolarHBondContact O-N 3.41Å; S755-D758 PolarHBondContact O-N 3.09Å; S755-D759 WeakPolarHBondContact O-CB 3.45Å; S755-D759 PolarHBondContact O-N 2.93Å |
| 756 | K | 77.3 | Confident | 75.6 | Confident | 142 Ų | 142 | 89.6 Ų | 89.6 | 62% | 0.617 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.6 | -35.3 | 176.1 | -77.1 | 175.3 | -177.7 | 173.9 | 0 | 112.7 | Q752 L753 L760 | Q752-K756 WeakPolarHBondContact O-CB 3.41Å; Q752-K756 WeakPolarHBondContact O-CD 3.33Å; Q752-K756 VanDerWaalsContact O-CG 3.27Å; Q752-K756 WeakPolarHBondContact O-CG 3.41Å; Q752-K756 PolarHBondContact O-N 3.04Å; Q752-K756 VanDerWaalsContact O-N 3.12Å; L753-K756 PolarHBondContact O-N 3.05Å; K756-L760 WeakPolarHBondContact O-CB 3.38Å; K756-L760 PolarHBondContact O-N 3.07Å |
| 757 | I | 76.9 | Confident | 75.6 | Confident | 82.3333 Ų | 82.3333 | 95.1 Ų | 95.1 | 42% | 0.422 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.4 | -45.2 | 175.4 | -72.4 | 167.5 | 0 | 0 | 0 | 110 | L753 E754 S755 D759 L760 L761 | L753-I757 HydrophobicContact CD1-CD1 4.33Å; L753-I757 HydrophobicContact CD2-CD1 3.96Å; L753-I757 HydrophobicContact CG-CD1 4.07Å; L753-I757 WeakPolarHBondContact O-CB 3.36Å; L753-I757 WeakPolarHBondContact O-CD1 3.37Å; L753-I757 VanDerWaalsContact O-CG1 3.22Å; L753-I757 WeakPolarHBondContact O-CG1 3.31Å; L753-I757 PolarHBondContact O-N 3.06Å; E754-I757 PolarHBondContact O-N 3.16Å; S755-I757 VanDerWaalsContact C-N 3.32Å; S755-I757 PolarHBondContact O-N 3.41Å; I757-D759 VanDerWaalsContact C-N 3.35Å; I757-D759 PolarHBondContact O-N 3.5Å; I757-L760 PolarHBondContact O-N 3.06Å; I757-L761 HydrophobicContact CG2-CD1 3.73Å; I757-L761 HydrophobicContact CG2-CG 4.22Å; I757-L761 VanDerWaalsContact O-CB 3.27Å; I757-L761 WeakPolarHBondContact O-CB 3.34Å; I757-L761 WeakPolarHBondContact O-CG 3.35Å; I757-L761 PolarHBondContact O-N 3.09Å |
| 758 | D | 73.1 | Confident | 75.7 | Confident | 47 Ų | 47 | 92.6 Ų | 92.6 | 25% | 0.251 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 177.9 | -91.7 | -13.5 | 0 | 0 | 0 | 111.7 | E754 S755 L761 T762 N780 K783 | E754-D758 WeakPolarHBondContact O-CB 3.37Å; E754-D758 PolarHBondContact O-N 2.87Å; S755-D758 PolarHBondContact O-N 3.09Å; D758-L761 PolarHBondContact O-N 2.8Å; D758-T762 VanDerWaalsContact O-CB 3.27Å; D758-T762 WeakPolarHBondContact O-CB 3.28Å; D758-T762 VanDerWaalsContact O-CG2 3.3Å; D758-T762 WeakPolarHBondContact O-CG2 3.2Å; D758-T762 PolarHBondContact O-N 3.33Å; D758-T762 PolarHBondContact O-OG1 3.2Å; D758-N780 PolarHBondContact OD2-ND2 3.31Å; D758-K783 IonicContact OD2-NZ 2.67Å; D758-K783 PolarHBondContact OD2-NZ 2.64Å |
| 759 | D | 76.4 | Confident | 75.4 | Confident | 106.667 Ų | 106.667 | 92.5 Ų | 92.5 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.9 | -46 | 172.7 | -82.8 | -10.4 | 0 | 0 | 0 | 111.6 | S755 I757 L761 T762 H763 | S755-D759 WeakPolarHBondContact O-CB 3.45Å; S755-D759 PolarHBondContact O-N 2.93Å; I757-D759 VanDerWaalsContact C-N 3.35Å; I757-D759 PolarHBondContact O-N 3.5Å; D759-L761 VanDerWaalsContact C-N 3.35Å; D759-L761 PolarHBondContact O-N 2.83Å; D759-T762 VanDerWaalsContact CA-OG1 3.29Å; D759-T762 WeakPolarHBondContact CA-OG1 3.45Å; D759-T762 PolarHBondContact O-N 3.13Å; D759-T762 PolarHBondContact O-OG1 3.45Å; D759-H763 VanDerWaalsContact O-CB 3.28Å; D759-H763 WeakPolarHBondContact O-CB 3.44Å; D759-H763 PolarHBondContact O-N 3.33Å |
| 760 | L | 77.9 | Confident | 75.3 | Confident | 116.333 Ų | 116.333 | 89.9 Ų | 89.9 | 61% | 0.609 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63 | -43.6 | 177.3 | -175.1 | 126 | 0 | 0 | 0 | 111.2 | K756 I757 T762 W764 | K756-L760 WeakPolarHBondContact O-CB 3.38Å; K756-L760 PolarHBondContact O-N 3.07Å; I757-L760 PolarHBondContact O-N 3.06Å; L760-T762 VanDerWaalsContact C-N 3.34Å; L760-W764 WeakPolarHBondContact O-CB 3.31Å; L760-W764 PolarHBondContact O-N 3.16Å |
| 761 | L | 75.6 | Confident | 75 | Confident | 60.3333 Ų | 60.3333 | 91.3 Ų | 91.3 | 32% | 0.316 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.1 | -36.9 | 177.3 | -74.9 | 173.7 | 0 | 0 | 0 | 111.9 | I757 D758 D759 R765 | I757-L761 HydrophobicContact CG2-CD1 3.73Å; I757-L761 HydrophobicContact CG2-CG 4.22Å; I757-L761 VanDerWaalsContact O-CB 3.27Å; I757-L761 WeakPolarHBondContact O-CB 3.34Å; I757-L761 WeakPolarHBondContact O-CG 3.35Å; I757-L761 PolarHBondContact O-N 3.09Å; D758-L761 PolarHBondContact O-N 2.8Å; D759-L761 VanDerWaalsContact C-N 3.35Å; D759-L761 PolarHBondContact O-N 2.83Å; L761-R765 VanDerWaalsContact O-CB 3.3Å; L761-R765 WeakPolarHBondContact O-CB 3.31Å; L761-R765 WeakPolarHBondContact O-CD 3.46Å; L761-R765 VanDerWaalsContact O-CG 3.24Å; L761-R765 WeakPolarHBondContact O-CG 3.31Å; L761-R765 PolarHBondContact O-N 3.27Å |
| 762 | T | 74 | Confident | 74.3 | Confident | 37.6667 Ų | 37.6667 | 93 Ų | 93 | 23% | 0.231 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -71.5 | -46.8 | 177.7 | -29.8 | 0 | 0 | 0 | 0 | 111 | D758 D759 L760 W764 R765 L766 I772 | D758-T762 VanDerWaalsContact O-CB 3.27Å; D758-T762 WeakPolarHBondContact O-CB 3.28Å; D758-T762 VanDerWaalsContact O-CG2 3.3Å; D758-T762 WeakPolarHBondContact O-CG2 3.2Å; D758-T762 PolarHBondContact O-N 3.33Å; D758-T762 PolarHBondContact O-OG1 3.2Å; D759-T762 VanDerWaalsContact CA-OG1 3.29Å; D759-T762 WeakPolarHBondContact CA-OG1 3.45Å; D759-T762 PolarHBondContact O-N 3.13Å; D759-T762 PolarHBondContact O-OG1 3.45Å; L760-T762 VanDerWaalsContact C-N 3.34Å; T762-W764 VanDerWaalsContact C-N 3.33Å; T762-W764 PolarHBondContact O-N 3.05Å; T762-R765 PolarHBondContact O-N 3.3Å; T762-L766 HydrophobicContact CG2-CD1 4.21Å; T762-L766 WeakPolarHBondContact O-CB 3.47Å; T762-L766 VanDerWaalsContact O-CG 3.28Å; T762-L766 WeakPolarHBondContact O-CG 3.4Å; T762-L766 PolarHBondContact O-N 2.95Å; T762-I772 HydrophobicContact CG2-CD1 4.43Å |
| 763 | H | 76.6 | Confident | 73.5 | Confident | 101 Ų | 101 | 91.2 Ų | 91.2 | 47% | 0.468 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.4 | -41 | 173.6 | 172.7 | -86.2 | 0 | 0 | 0 | 111.9 | D759 R765 L766 R767 | D759-H763 VanDerWaalsContact O-CB 3.28Å; D759-H763 WeakPolarHBondContact O-CB 3.44Å; D759-H763 PolarHBondContact O-N 3.33Å; H763-R765 PolarHBondContact O-N 2.79Å; H763-L766 PolarHBondContact O-N 3.25Å; H763-R767 VanDerWaalsContact CE1-CZ 3.41Å; H763-R767 PolarHBondContact CE1-NE 3Å; H763-R767 PolarHBondContact CE1-NH2 3.04Å; H763-R767 PolarHBondContact NE2-NE 3.49Å; H763-R767 PolarHBondContact NE2-NH2 3.11Å; H763-R767 VanDerWaalsContact O-CB 3.27Å; H763-R767 WeakPolarHBondContact O-CB 3.4Å; H763-R767 PolarHBondContact O-N 3.18Å |
| 764 | W | 75.8 | Confident | 72.5 | Confident | 142.333 Ų | 142.333 | 95.3 Ų | 95.3 | 54% | 0.539 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 176 | -171.5 | 84.3 | 0 | 0 | 0 | 111.5 | L760 T762 L766 R767 V768 L770 | L760-W764 WeakPolarHBondContact O-CB 3.31Å; L760-W764 PolarHBondContact O-N 3.16Å; T762-W764 VanDerWaalsContact C-N 3.33Å; T762-W764 PolarHBondContact O-N 3.05Å; W764-L766 PolarHBondContact O-N 2.94Å; W764-R767 PolarHBondContact O-N 3.15Å; W764-V768 HydrophobicContact CD2-CG2 4.17Å; W764-V768 HydrophobicContact CE3-CG2 4.2Å; W764-V768 HydrophobicContact CH2-CG2 4.37Å; W764-V768 HydrophobicContact CZ2-CG2 4.19Å; W764-V768 HydrophobicContact CZ3-CG2 4.34Å; W764-V768 WeakPolarHBondContact O-CB 3.43Å; W764-V768 VanDerWaalsContact O-CG2 3.28Å; W764-V768 WeakPolarHBondContact O-CG2 3.31Å; W764-V768 PolarHBondContact O-N 3.3Å; W764-L770 HydrophobicContact CZ3-CD1 4.14Å |
| 765 | R | 75.4 | Confident | 71.5 | Confident | 51 Ų | 51 | 95.6 Ų | 95.6 | 19% | 0.192 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 175.2 | -76.7 | 172.3 | -175.9 | 125.4 | 1.5 | 112.3 | L761 T762 H763 R767 V768 G769 L770 | L761-R765 VanDerWaalsContact O-CB 3.3Å; L761-R765 WeakPolarHBondContact O-CB 3.31Å; L761-R765 WeakPolarHBondContact O-CD 3.46Å; L761-R765 VanDerWaalsContact O-CG 3.24Å; L761-R765 WeakPolarHBondContact O-CG 3.31Å; L761-R765 PolarHBondContact O-N 3.27Å; T762-R765 PolarHBondContact O-N 3.3Å; H763-R765 PolarHBondContact O-N 2.79Å; R765-R767 VanDerWaalsContact C-N 3.31Å; R765-R767 PolarHBondContact O-N 2.91Å; R765-V768 CarbonylContact O-C 3.46Å; R765-V768 PolarHBondContact O-N 3.17Å; R765-G769 PolarHBondContact O-N 3.15Å; R765-G769 VanDerWaalsContact O-N 3.13Å; R765-L770 HydrophobicContact CB-CB 4.19Å; R765-L770 HydrophobicContact CG-CB 4.31Å; R765-L770 PolarHBondContact O-N 3.46Å |
| 766 | L | 76.8 | Confident | 70.6 | Confident | 114.667 Ų | 114.667 | 94.8 Ų | 94.8 | 60% | 0.6 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.1 | -41.3 | 176.6 | -73.3 | 168.2 | 0 | 0 | 0 | 111.7 | T762 H763 W764 V768 G769 | T762-L766 HydrophobicContact CG2-CD1 4.21Å; T762-L766 WeakPolarHBondContact O-CB 3.47Å; T762-L766 VanDerWaalsContact O-CG 3.28Å; T762-L766 WeakPolarHBondContact O-CG 3.4Å; T762-L766 PolarHBondContact O-N 2.95Å; H763-L766 PolarHBondContact O-N 3.25Å; W764-L766 PolarHBondContact O-N 2.94Å; L766-V768 VanDerWaalsContact C-N 3.32Å; L766-V768 PolarHBondContact O-N 3.22Å; L766-G769 PolarHBondContact O-N 3.15Å; L766-G769 VanDerWaalsContact O-N 3.16Å |
| 767 | R | 77 | Confident | 69.5 | Low | 187.333 Ų | 187.333 | 89 Ų | 89 | 71% | 0.707 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.8 | -33.9 | 177.5 | -169.5 | -174.3 | -68.7 | -157.6 | -3.4 | 113 | H763 W764 R765 G769 | H763-R767 VanDerWaalsContact CE1-CZ 3.41Å; H763-R767 PolarHBondContact CE1-NE 3Å; H763-R767 PolarHBondContact CE1-NH2 3.04Å; H763-R767 PolarHBondContact NE2-NE 3.49Å; H763-R767 PolarHBondContact NE2-NH2 3.11Å; H763-R767 VanDerWaalsContact O-CB 3.27Å; H763-R767 WeakPolarHBondContact O-CB 3.4Å; H763-R767 PolarHBondContact O-N 3.18Å; W764-R767 PolarHBondContact O-N 3.15Å; R765-R767 VanDerWaalsContact C-N 3.31Å; R765-R767 PolarHBondContact O-N 2.91Å; R767-G769 VanDerWaalsContact C-N 3.3Å |
| 768 | V | 78.6 | Confident | 68.4 | Low | 81.3333 Ų | 81.3333 | 92.3 Ų | 92.3 | 49% | 0.493 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -87.4 | -2.2 | 178.2 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | W764 R765 L766 L770 | W764-V768 HydrophobicContact CD2-CG2 4.17Å; W764-V768 HydrophobicContact CE3-CG2 4.2Å; W764-V768 HydrophobicContact CH2-CG2 4.37Å; W764-V768 HydrophobicContact CZ2-CG2 4.19Å; W764-V768 HydrophobicContact CZ3-CG2 4.34Å; W764-V768 WeakPolarHBondContact O-CB 3.43Å; W764-V768 VanDerWaalsContact O-CG2 3.28Å; W764-V768 WeakPolarHBondContact O-CG2 3.31Å; W764-V768 PolarHBondContact O-N 3.3Å; R765-V768 CarbonylContact O-C 3.46Å; R765-V768 PolarHBondContact O-N 3.17Å; L766-V768 VanDerWaalsContact C-N 3.32Å; L766-V768 PolarHBondContact O-N 3.22Å; V768-L770 VanDerWaalsContact C-N 3.26Å; V768-L770 HydrophobicContact CB-CD1 4.12Å; V768-L770 HydrophobicContact CB-CG 4.45Å; V768-L770 HydrophobicContact CG1-CD1 3.82Å; V768-L770 HydrophobicContact CG1-CG 4.16Å; V768-L770 PolarHBondContact O-N 3.06Å |
| 769 | G | 72.3 | Confident | 67.5 | Low | 64 Ų | 64 | 95.8 Ų | 95.8 | 66% | 0.66 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 17.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R765 L766 R767 | R765-G769 PolarHBondContact O-N 3.15Å; R765-G769 VanDerWaalsContact O-N 3.13Å; L766-G769 PolarHBondContact O-N 3.15Å; L766-G769 VanDerWaalsContact O-N 3.16Å; R767-G769 VanDerWaalsContact C-N 3.3Å |
| 770 | L | 71.9 | Confident | 66.6 | Low | 81.3333 Ų | 81.3333 | 92.8 Ų | 92.8 | 43% | 0.426 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 126.1 | 177.3 | -77.5 | 158.2 | 0 | 0 | 0 | 109.9 | W764 R765 V768 I772 | W764-L770 HydrophobicContact CZ3-CD1 4.14Å; R765-L770 HydrophobicContact CB-CB 4.19Å; R765-L770 HydrophobicContact CG-CB 4.31Å; R765-L770 PolarHBondContact O-N 3.46Å; V768-L770 VanDerWaalsContact C-N 3.26Å; V768-L770 HydrophobicContact CB-CD1 4.12Å; V768-L770 HydrophobicContact CB-CG 4.45Å; V768-L770 HydrophobicContact CG1-CD1 3.82Å; V768-L770 HydrophobicContact CG1-CG 4.16Å; V768-L770 PolarHBondContact O-N 3.06Å; L770-I772 PolarHBondContact O-N 2.76Å |
| 771 | P | 66 | Low | 65.7 | Low | 110 Ų | 110 | 92.8 Ų | 92.8 | 71% | 0.714 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 139.7 | 175.3 | 25.4 | -32.2 | 0 | 0 | 0 | 110.6 | P773 | P771-P773 VanDerWaalsContact O-CD 3.25Å; P771-P773 WeakPolarHBondContact O-CD 3.36Å; P771-P773 VanDerWaalsContact O-N 3.17Å |
| 772 | I | 59.8 | Low | 64.9 | Low | 89.6667 Ų | 89.6667 | 94.9 Ų | 94.9 | 46% | 0.46 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 120.9 | 176.5 | -58.6 | 166.6 | 0 | 0 | 0 | 108.1 | T762 L770 K774 I776 | T762-I772 HydrophobicContact CG2-CD1 4.43Å; L770-I772 PolarHBondContact O-N 2.76Å; I772-K774 PolarHBondContact O-N 3.01Å; I772-I776 HydrophobicContact CG2-CB 4.33Å |
| 773 | P | 57.8 | Low | 64.5 | Low | 52.3333 Ų | 52.3333 | 97 Ų | 97 | 34% | 0.34 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 128.8 | 178.9 | -22.7 | 32.2 | 0 | 0 | 0 | 110.9 | P771 V775 I776 G777 | P771-P773 VanDerWaalsContact O-CD 3.25Å; P771-P773 WeakPolarHBondContact O-CD 3.36Å; P771-P773 VanDerWaalsContact O-N 3.17Å; P773-V775 PolarHBondContact O-N 3.06Å; P773-I776 HydrophobicContact CB-CD1 4.36Å; P773-I776 HydrophobicContact CB-CG1 4.21Å; P773-I776 HydrophobicContact CG-CD1 3.93Å; P773-I776 HydrophobicContact CG-CG1 4.33Å; P773-I776 PolarHBondContact O-N 2.95Å; P773-G777 PolarHBondContact O-N 2.88Å |
| 774 | K | 57.1 | Low | 63.9 | Low | 188.667 Ų | 188.667 | 96.3 Ų | 96.3 | 82% | 0.82 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -54.3 | -22.7 | 175.8 | -67.8 | -177.1 | 178.8 | 179.5 | 0 | 113.3 | I772 G777 K778 | I772-K774 PolarHBondContact O-N 3.01Å; K774-G777 PolarHBondContact O-N 3.04Å; K774-K778 WeakPolarHBondContact O-CB 3.24Å; K774-K778 WeakPolarHBondContact O-CG 3.4Å; K774-K778 PolarHBondContact O-N 3.2Å |
| 775 | V | 53.5 | Low | 63.2 | Low | 102 Ų | 102 | 90.8 Ų | 90.8 | 62% | 0.618 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -71.6 | -42.8 | 176 | -175.1 | 0 | 0 | 0 | 0 | 111.7 | P773 G777 K778 Q779 | P773-V775 PolarHBondContact O-N 3.06Å; V775-G777 VanDerWaalsContact C-N 3.31Å; V775-K778 WeakPolarHBondContact O-CB 3.31Å; V775-K778 PolarHBondContact O-N 2.93Å; V775-Q779 PolarHBondContact O-N 2.99Å |
| 776 | I | 53.6 | Low | 62.8 | Low | 32.6667 Ų | 32.6667 | 92.6 Ų | 92.6 | 17% | 0.168 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 173.5 | -59.3 | 179.6 | 0 | 0 | 0 | 109 | I772 P773 K778 Q779 N780 | I772-I776 HydrophobicContact CG2-CB 4.33Å; P773-I776 HydrophobicContact CB-CD1 4.36Å; P773-I776 HydrophobicContact CB-CG1 4.21Å; P773-I776 HydrophobicContact CG-CD1 3.93Å; P773-I776 HydrophobicContact CG-CG1 4.33Å; P773-I776 PolarHBondContact O-N 2.95Å; I776-K778 VanDerWaalsContact C-N 3.29Å; I776-K778 PolarHBondContact O-N 3.09Å; I776-Q779 PolarHBondContact O-N 3.18Å; I776-Q779 VanDerWaalsContact O-N 3.1Å; I776-N780 VanDerWaalsContact O-CB 3.22Å; I776-N780 WeakPolarHBondContact O-CB 3.39Å; I776-N780 PolarHBondContact O-N 3.36Å; I776-N780 PolarHBondContact O-OD1 3.24Å |
| 777 | G | 54.2 | Low | 62.5 | Low | 19.3333 Ų | 19.3333 | 89.3 Ų | 89.3 | 20% | 0.199 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -53.9 | -43.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P773 K774 V775 H781 | P773-G777 PolarHBondContact O-N 2.88Å; K774-G777 PolarHBondContact O-N 3.04Å; V775-G777 VanDerWaalsContact C-N 3.31Å; G777-H781 WeakPolarHBondContact O-CB 3.37Å; G777-H781 PolarHBondContact O-CD2 2.9Å; G777-H781 VanDerWaalsContact O-CG 3.24Å; G777-H781 PolarHBondContact O-N 3.12Å |
| 778 | K | 52.4 | Low | 62.4 | Low | 153.333 Ų | 153.333 | 87.3 Ų | 87.3 | 67% | 0.667 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65.5 | -42 | 174.8 | -83.6 | -174.9 | 175.8 | -174.3 | 0 | 113.6 | K774 V775 I776 H781 L782 | K774-K778 WeakPolarHBondContact O-CB 3.24Å; K774-K778 WeakPolarHBondContact O-CG 3.4Å; K774-K778 PolarHBondContact O-N 3.2Å; V775-K778 WeakPolarHBondContact O-CB 3.31Å; V775-K778 PolarHBondContact O-N 2.93Å; I776-K778 VanDerWaalsContact C-N 3.29Å; I776-K778 PolarHBondContact O-N 3.09Å; K778-H781 PolarHBondContact O-N 3.21Å; K778-L782 VanDerWaalsContact O-CG 3.29Å; K778-L782 WeakPolarHBondContact O-CG 3.2Å; K778-L782 PolarHBondContact O-N 3.1Å |
| 779 | Q | 55.4 | Low | 62.3 | Low | 120 Ų | 120 | 87 Ų | 87 | 56% | 0.561 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -68.8 | -42.9 | 178.2 | -79.6 | -175.4 | -31.3 | 0 | 0 | 111.6 | V775 I776 L782 K783 | V775-Q779 PolarHBondContact O-N 2.99Å; I776-Q779 PolarHBondContact O-N 3.18Å; I776-Q779 VanDerWaalsContact O-N 3.1Å; Q779-L782 PolarHBondContact O-N 3.15Å; Q779-L782 VanDerWaalsContact O-N 3.16Å; Q779-K783 WeakPolarHBondContact O-CG 3.39Å; Q779-K783 PolarHBondContact O-N 3.14Å |
| 780 | N | 58 | Low | 62.8 | Low | 43.6667 Ų | 43.6667 | 84.8 Ų | 84.8 | 23% | 0.234 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 175 | -71.3 | 15 | 0 | 0 | 0 | 110.4 | D758 I776 L782 K783 E784 | D758-N780 PolarHBondContact OD2-ND2 3.31Å; I776-N780 VanDerWaalsContact O-CB 3.22Å; I776-N780 WeakPolarHBondContact O-CB 3.39Å; I776-N780 PolarHBondContact O-N 3.36Å; I776-N780 PolarHBondContact O-OD1 3.24Å; N780-L782 VanDerWaalsContact C-N 3.32Å; N780-L782 PolarHBondContact O-N 3.19Å; N780-L782 VanDerWaalsContact O-N 3.17Å; N780-K783 PolarHBondContact O-N 3.09Å; N780-K783 VanDerWaalsContact O-N 3.15Å; N780-E784 WeakPolarHBondContact O-CA 3.31Å; N780-E784 VanDerWaalsContact O-CB 3.28Å; N780-E784 WeakPolarHBondContact O-CB 3.33Å; N780-E784 VanDerWaalsContact O-CG 3.25Å; N780-E784 WeakPolarHBondContact O-CG 3.34Å; N780-E784 PolarHBondContact O-N 2.96Å |
| 781 | H | 57 | Low | 63.4 | Low | 117 Ų | 117 | 86.2 Ų | 86.2 | 54% | 0.542 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.5 | -29.9 | 174.4 | -72.1 | -35 | 0 | 0 | 0 | 114 | G777 K778 E784 A785 | G777-H781 WeakPolarHBondContact O-CB 3.37Å; G777-H781 PolarHBondContact O-CD2 2.9Å; G777-H781 VanDerWaalsContact O-CG 3.24Å; G777-H781 PolarHBondContact O-N 3.12Å; K778-H781 PolarHBondContact O-N 3.21Å; H781-E784 IonicContact CE1-OE2 3.54Å; H781-E784 IonicContact CG-OE2 3.49Å; H781-E784 IonicContact ND1-OE1 3.49Å; H781-E784 IonicContact ND1-OE2 3.2Å; H781-E784 PolarHBondContact ND1-OE2 2.91Å; H781-A785 WeakPolarHBondContact O-CB 3.41Å; H781-A785 PolarHBondContact O-N 2.91Å; H781-A785 VanDerWaalsContact O-N 3.15Å |
| 782 | L | 60.1 | Low | 64.3 | Low | 104 Ų | 104 | 82.7 Ų | 82.7 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -72.6 | -46.7 | 172.7 | -74 | 167.5 | 0 | 0 | 0 | 111.1 | K778 Q779 N780 E784 A785 E786 | K778-L782 VanDerWaalsContact O-CG 3.29Å; K778-L782 WeakPolarHBondContact O-CG 3.2Å; K778-L782 PolarHBondContact O-N 3.1Å; Q779-L782 PolarHBondContact O-N 3.15Å; Q779-L782 VanDerWaalsContact O-N 3.16Å; N780-L782 VanDerWaalsContact C-N 3.32Å; N780-L782 PolarHBondContact O-N 3.19Å; N780-L782 VanDerWaalsContact O-N 3.17Å; L782-E784 PolarHBondContact O-N 3.27Å; L782-A785 PolarHBondContact O-N 3.14Å; L782-E786 WeakPolarHBondContact O-CG 3.43Å; L782-E786 PolarHBondContact O-N 3.12Å |
| 783 | K | 64.5 | Low | 65.6 | Low | 82.3333 Ų | 82.3333 | 79.9 Ų | 79.9 | 36% | 0.358 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58 | -51.5 | 173.2 | -74.1 | -174.4 | 173.9 | -171.9 | 0 | 111.3 | E754 D758 Q779 N780 A785 E786 E787 | E754-K783 IonicContact OE2-NZ 3.16Å; E754-K783 PolarHBondContact OE2-NZ 3.28Å; D758-K783 IonicContact OD2-NZ 2.67Å; D758-K783 PolarHBondContact OD2-NZ 2.64Å; Q779-K783 WeakPolarHBondContact O-CG 3.39Å; Q779-K783 PolarHBondContact O-N 3.14Å; N780-K783 PolarHBondContact O-N 3.09Å; N780-K783 VanDerWaalsContact O-N 3.15Å; K783-A785 VanDerWaalsContact C-N 3.27Å; K783-A785 PolarHBondContact O-N 2.95Å; K783-E786 PolarHBondContact O-N 3Å; K783-E786 VanDerWaalsContact O-N 3.12Å; K783-E787 WeakPolarHBondContact O-CB 3.4Å; K783-E787 VanDerWaalsContact O-CG 3.31Å; K783-E787 WeakPolarHBondContact O-CG 3.3Å; K783-E787 PolarHBondContact O-N 3.23Å |
| 784 | E | 64 | Low | 66.8 | Low | 86 Ų | 86 | 86.9 Ų | 86.9 | 40% | 0.402 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -57.7 | -35.3 | 174.7 | -74.5 | 167.7 | -167.9 | 0 | 0 | 112.3 | N780 H781 L782 E787 R788 | N780-E784 WeakPolarHBondContact O-CA 3.31Å; N780-E784 VanDerWaalsContact O-CB 3.28Å; N780-E784 WeakPolarHBondContact O-CB 3.33Å; N780-E784 VanDerWaalsContact O-CG 3.25Å; N780-E784 WeakPolarHBondContact O-CG 3.34Å; N780-E784 PolarHBondContact O-N 2.96Å; H781-E784 IonicContact CE1-OE2 3.54Å; H781-E784 IonicContact CG-OE2 3.49Å; H781-E784 IonicContact ND1-OE1 3.49Å; H781-E784 IonicContact ND1-OE2 3.2Å; H781-E784 PolarHBondContact ND1-OE2 2.91Å; L782-E784 PolarHBondContact O-N 3.27Å; E784-E787 PolarHBondContact O-N 3.03Å; E784-R788 WeakPolarHBondContact O-CD 3.16Å; E784-R788 VanDerWaalsContact O-CG 3.23Å; E784-R788 WeakPolarHBondContact O-CG 3.22Å; E784-R788 PolarHBondContact O-N 3.19Å; E784-R788 PolarHBondContact O-NE 3.28Å |
| 785 | A | 62.5 | Low | 68 | Low | 25.3333 Ų | 25.3333 | 78.4 Ų | 78.4 | 21% | 0.209 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -71.9 | -43.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | R540 H781 L782 K783 E787 R788 | R540-A785 VanDerWaalsContact CZ-O 3.27Å; R540-A785 PolarHBondContact NE-O 3.33Å; R540-A785 PolarHBondContact NH1-O 3.38Å; R540-A785 VanDerWaalsContact NH2-C 3.28Å; R540-A785 PolarHBondContact NH2-O 3.25Å; H781-A785 WeakPolarHBondContact O-CB 3.41Å; H781-A785 PolarHBondContact O-N 2.91Å; H781-A785 VanDerWaalsContact O-N 3.15Å; L782-A785 PolarHBondContact O-N 3.14Å; K783-A785 VanDerWaalsContact C-N 3.27Å; K783-A785 PolarHBondContact O-N 2.95Å; A785-E787 PolarHBondContact O-N 3.03Å; A785-R788 WeakPolarHBondContact O-CB 3.39Å; A785-R788 PolarHBondContact O-N 2.85Å; A785-R788 VanDerWaalsContact O-N 3.14Å |
| 786 | E | 66.5 | Low | 69.3 | Low | 90.3333 Ų | 90.3333 | 77.8 Ų | 77.8 | 42% | 0.422 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 174.3 | -72.9 | 179.3 | -179.4 | 0 | 0 | 112 | Q495 L782 K783 R788 | Q495-E786 PolarHBondContact NE2-OE1 3.23Å; L782-E786 WeakPolarHBondContact O-CG 3.43Å; L782-E786 PolarHBondContact O-N 3.12Å; K783-E786 PolarHBondContact O-N 3Å; K783-E786 VanDerWaalsContact O-N 3.12Å; E786-R788 VanDerWaalsContact C-N 3.35Å; E786-R788 PolarHBondContact O-N 3.44Å; E786-R788 VanDerWaalsContact O-N 3.14Å |
| 787 | E | 70.2 | Confident | 69.9 | Low | 44 Ų | 44 | 79.5 Ų | 79.5 | 21% | 0.206 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -5.1 | -179.5 | -71.9 | 178.2 | -150.7 | 0 | 0 | 115.4 | I742 K746 Y751 K783 E784 A785 | I742-E787 HydrophobicContact CG2-CG 4.33Å; K746-E787 WeakPolarHBondContact CE-OE2 3.41Å; K746-E787 IonicContact NZ-OE2 3.39Å; K746-E787 PolarHBondContact NZ-OE2 3.19Å; Y751-E787 WeakPolarHBondContact CE2-OE1 3.41Å; Y751-E787 VanDerWaalsContact OH-CD 3.31Å; Y751-E787 PolarHBondContact OH-OE1 3.06Å; Y751-E787 PolarHBondContact OH-OE2 3.25Å; K783-E787 WeakPolarHBondContact O-CB 3.4Å; K783-E787 VanDerWaalsContact O-CG 3.31Å; K783-E787 WeakPolarHBondContact O-CG 3.3Å; K783-E787 PolarHBondContact O-N 3.23Å; E784-E787 PolarHBondContact O-N 3.03Å; A785-E787 PolarHBondContact O-N 3.03Å |
| 788 | R | 75.1 | Confident | 70.3 | Confident | 145.333 Ų | 145.333 | 82.6 Ų | 82.6 | 55% | 0.548 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -71.8 | 144.4 | 178 | -80.9 | 168.4 | -161.8 | -169.6 | 2.3 | 111.3 | R540 E784 A785 E786 V790 | R540-R788 PolarHBondContact NH1-O 3.37Å; E784-R788 WeakPolarHBondContact O-CD 3.16Å; E784-R788 VanDerWaalsContact O-CG 3.23Å; E784-R788 WeakPolarHBondContact O-CG 3.22Å; E784-R788 PolarHBondContact O-N 3.19Å; E784-R788 PolarHBondContact O-NE 3.28Å; A785-R788 WeakPolarHBondContact O-CB 3.39Å; A785-R788 PolarHBondContact O-N 2.85Å; A785-R788 VanDerWaalsContact O-N 3.14Å; E786-R788 VanDerWaalsContact C-N 3.35Å; E786-R788 PolarHBondContact O-N 3.44Å; E786-R788 VanDerWaalsContact O-N 3.14Å; R788-V790 PolarHBondContact O-N 3.12Å |
| 789 | P | 76.8 | Confident | 70.5 | Confident | 75.3333 Ų | 75.3333 | 78.2 Ų | 78.2 | 49% | 0.489 | 37% | 0.373 | S | S | . | . | trans | -54.9 | 138.7 | 172.1 | 23.1 | -33.2 | 0 | 0 | 0 | 110.9 | M739 V791 | M739-P789 HydrophobicContact CE-CB 3.55Å; M739-P789 VanDerWaalsContact CE-CB 3.43Å; M739-P789 HydrophobicContact CE-CG 4.18Å; P789-V791 PolarHBondContact O-N 3.02Å; P789-V791 VanDerWaalsContact O-N 3.09Å | ||
| 790 | V | 83.3 | Confident | 70.4 | Confident | 17.6667 Ų | 17.6667 | 79 Ų | 79 | 11% | 0.107 | 38% | 0.377 | C | S | . | . | trans | -70.3 | 110.8 | 173.2 | 173.9 | 0 | 0 | 0 | 0 | 107.7 | I539 R540 A735 H738 R788 L792 | I539-V790 HydrophobicContact CG1-CG1 4.39Å; I539-V790 HydrophobicContact CG2-CB 4.32Å; I539-V790 HydrophobicContact CG2-CG1 3.9Å; I539-V790 HydrophobicContact CG2-CG2 3.88Å; R540-V790 HydrophobicContact CB-CG2 3.87Å; R540-V790 HydrophobicContact CG-CG2 4.46Å; A735-V790 HydrophobicContact CB-CB 4.06Å; A735-V790 HydrophobicContact CB-CG1 4.1Å; H738-V790 HydrophobicContact CB-CG2 4.4Å; H738-V790 WeakPolarHBondContact ND1-CG2 3.45Å; R788-V790 PolarHBondContact O-N 3.12Å; V790-L792 HydrophobicContact CG1-CD2 3.95Å; V790-L792 HydrophobicContact CG1-CG 4.47Å; V790-L792 PolarHBondContact O-N 3.09Å | ||
| 791 | V | 83.2 | Confident | 70 | Confident | 111.667 Ų | 111.667 | 80.3 Ų | 80.3 | 68% | 0.677 | 39% | 0.389 | S | S | * | . | trans | -90 | 111.9 | 175 | -178.7 | 0 | 0 | 0 | 0 | 107.9 | Q543 P789 | Q543-V791 PolarHBondContact NE2-O 2.81Å; P789-V791 PolarHBondContact O-N 3.02Å; P789-V791 VanDerWaalsContact O-N 3.09Å | ||
| 792 | L | 85.8 | Confident | 69.6 | Low | 35 Ų | 35 | 79.3 Ų | 79.3 | 18% | 0.183 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 139.1 | 173.6 | -60.7 | 177.6 | 0 | 0 | 0 | 110.1 | I539 E593 T594 N731 L732 A735 V790 R794 | I539-L792 HydrophobicContact CD1-CD2 3.89Å; I539-L792 HydrophobicContact CG1-CD2 4.41Å; E593-L792 HydrophobicContact CB-CB 4.38Å; E593-L792 HydrophobicContact CB-CD2 4.43Å; E593-L792 CarbonylContact O-C 3.39Å; E593-L792 WeakPolarHBondContact O-CA 3.41Å; T594-L792 HydrophobicContact CG2-CD2 4.2Å; N731-L792 HydrophobicContact CB-CD1 3.77Å; N731-L792 HydrophobicContact CB-CD2 4.18Å; L732-L792 HydrophobicContact CB-CD1 4.48Å; A735-L792 HydrophobicContact CB-CD1 4.31Å; A735-L792 HydrophobicContact CB-CG 4.35Å; V790-L792 HydrophobicContact CG1-CD2 3.95Å; V790-L792 HydrophobicContact CG1-CG 4.47Å; V790-L792 PolarHBondContact O-N 3.09Å; L792-R794 PolarHBondContact O-N 2.98Å |
| 793 | R | 86.1 | Confident | 68.9 | Low | 32.6667 Ų | 32.6667 | 82.4 Ų | 82.4 | 12% | 0.123 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 122.8 | 171.2 | -178.2 | -169.8 | 98.6 | 96.3 | -5.1 | 108.3 | S592 E593 E639 P795 | S592-R793 PolarHBondContact O-NE 3.41Å; S592-R793 VanDerWaalsContact O-NE 3.08Å; S592-R793 PolarHBondContact OG-NH2 3.32Å; E593-R793 PolarHBondContact O-N 3.11Å; E639-R793 IonicContact OE1-NH2 3.02Å; E639-R793 IonicContact OE2-CZ 3.22Å; E639-R793 VanDerWaalsContact OE2-CZ 3.3Å; E639-R793 IonicContact OE2-NH1 3.4Å; E639-R793 PolarHBondContact OE2-NH1 3.32Å; E639-R793 IonicContact OE2-NH2 3.43Å; E639-R793 PolarHBondContact OE2-NH2 3.1Å; R793-P795 WeakPolarHBondContact O-CD 3.35Å |
| 794 | R | 83.6 | Confident | 67.9 | Low | 198 Ų | 198 | 81.6 Ų | 81.6 | 75% | 0.747 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -75.5 | 124.4 | 172.7 | -96.9 | -176.5 | 178 | -174.4 | -1.1 | 109.9 | L792 L799 | L792-R794 PolarHBondContact O-N 2.98Å; R794-L799 HydrophobicContact CB-CD2 4.37Å |
| 795 | P | 82.1 | Confident | 67 | Low | 10.6667 Ų | 10.6667 | 83.2 Ų | 83.2 | 7% | 0.069 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 138.4 | 174.4 | -8.2 | 13.1 | 0 | 0 | 0 | 111.9 | L589 E639 R793 H797 L798 | L589-P795 HydrophobicContact CD1-CB 4.29Å; L589-P795 HydrophobicContact CD1-CG 4.11Å; L589-P795 HydrophobicContact CD2-CG 3.87Å; E639-P795 VanDerWaalsContact OE1-CA 3.27Å; E639-P795 WeakPolarHBondContact OE1-CA 3.44Å; E639-P795 VanDerWaalsContact OE1-CB 3.23Å; E639-P795 WeakPolarHBondContact OE1-CB 3.3Å; E639-P795 WeakPolarHBondContact OE2-CA 3.48Å; R793-P795 WeakPolarHBondContact O-CD 3.35Å; P795-H797 VanDerWaalsContact C-N 3.33Å; P795-H797 WeakPolarHBondContact CB-CE1 3.42Å; P795-H797 WeakPolarHBondContact CB-ND1 3.4Å; P795-H797 WeakPolarHBondContact CG-CE1 3.45Å; P795-H797 PolarHBondContact O-N 3.03Å; P795-L798 HydrophobicContact CB-CD1 4.39Å; P795-L798 HydrophobicContact CB-CG 4.28Å; P795-L798 HydrophobicContact CG-CD1 4.15Å; P795-L798 PolarHBondContact O-N 2.93Å |
| 796 | R | 80 | Confident | 66.2 | Low | 90 Ų | 90 | 85.6 Ų | 85.6 | 34% | 0.34 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68 | -6.9 | 179 | -70.6 | -177 | -109 | -142.7 | -6.1 | 110.8 | D601 L604 E638 E639 G640 L798 L799 Q800 | D601-R796 VanDerWaalsContact CG-NH1 3.32Å; D601-R796 IonicContact OD1-CZ 3.53Å; D601-R796 IonicContact OD1-NE 2.74Å; D601-R796 IonicContact OD1-NH1 3.35Å; D601-R796 PolarHBondContact OD1-NH1 3Å; D601-R796 IonicContact OD1-NH2 3.31Å; D601-R796 PolarHBondContact OD1-NH2 3.03Å; D601-R796 IonicContact OD2-NH1 3.77Å; D601-R796 PolarHBondContact OD2-NH1 3.49Å; D601-R796 VanDerWaalsContact OD2-NH1 3.16Å; D601-R796 IonicContact OD2-NH2 2.85Å; D601-R796 PolarHBondContact OD2-NH2 2.9Å; L604-R796 VanDerWaalsContact CD2-NH2 3.35Å; E638-R796 CarbonylContact C-O 3.59Å; E639-R796 VanDerWaalsContact CD-N 3.26Å; E639-R796 WeakPolarHBondContact O-CD 3.14Å; E639-R796 PolarHBondContact O-NE 3.14Å; E639-R796 PolarHBondContact O-NH1 3.12Å; E639-R796 PolarHBondContact O-NH2 3.18Å; E639-R796 PolarHBondContact OE1-N 3.21Å; E639-R796 WeakPolarHBondContact OE2-CA 3.44Å; E639-R796 WeakPolarHBondContact OE2-CB 3.34Å; E639-R796 PolarHBondContact OE2-N 2.98Å; G640-R796 PolarHBondContact O-NH1 2.82Å; R796-L798 VanDerWaalsContact C-N 3.25Å; R796-L798 PolarHBondContact O-N 3.04Å; R796-L799 WeakPolarHBondContact O-CB 3.32Å; R796-L799 PolarHBondContact O-N 3.26Å; R796-Q800 PolarHBondContact O-N 2.92Å |
| 797 | H | 67.9 | Low | 65.4 | Low | 67.6667 Ų | 67.6667 | 86.4 Ų | 86.4 | 31% | 0.313 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.3 | -1.6 | 175.5 | 43.4 | -56.6 | 0 | 0 | 0 | 111.3 | E638 E639 P795 L799 Q800 | E638-H797 HydrophobicContact CB-CB 4.43Å; E639-H797 IonicContact OE1-CE1 2.79Å; E639-H797 IonicContact OE1-CG 3.68Å; E639-H797 PolarHBondContact OE1-N 2.97Å; E639-H797 IonicContact OE1-ND1 3.27Å; E639-H797 PolarHBondContact OE1-ND1 2.89Å; E639-H797 VanDerWaalsContact OE1-ND1 3.11Å; P795-H797 VanDerWaalsContact C-N 3.33Å; P795-H797 WeakPolarHBondContact CB-CE1 3.42Å; P795-H797 WeakPolarHBondContact CB-ND1 3.4Å; P795-H797 WeakPolarHBondContact CG-CE1 3.45Å; P795-H797 PolarHBondContact O-N 3.03Å; H797-L799 VanDerWaalsContact C-N 3.32Å; H797-L799 PolarHBondContact O-N 3.4Å; H797-Q800 PolarHBondContact O-N 3.22Å |
| 798 | L | 62.2 | Low | 64.3 | Low | 83.6667 Ų | 83.6667 | 91.8 Ų | 91.8 | 44% | 0.438 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.7 | -23.1 | 172.7 | -66.3 | -174.1 | 0 | 0 | 0 | 112.3 | E638 G640 T642 P795 R796 Q800 S801 L802 | E638-L798 PolarHBondContact O-N 2.88Å; G640-L798 WeakPolarHBondContact O-CD1 3.4Å; T642-L798 HydrophobicContact CG2-CD1 4.17Å; P795-L798 HydrophobicContact CB-CD1 4.39Å; P795-L798 HydrophobicContact CB-CG 4.28Å; P795-L798 HydrophobicContact CG-CD1 4.15Å; P795-L798 PolarHBondContact O-N 2.93Å; R796-L798 VanDerWaalsContact C-N 3.25Å; R796-L798 PolarHBondContact O-N 3.04Å; L798-Q800 VanDerWaalsContact C-N 3.27Å; L798-Q800 PolarHBondContact O-N 3.43Å; L798-S801 PolarHBondContact O-N 3.09Å; L798-S801 PolarHBondContact O-OG 3.14Å; L798-L802 WeakPolarHBondContact O-CD1 3.48Å; L798-L802 WeakPolarHBondContact O-CG 3.46Å; L798-L802 PolarHBondContact O-N 2.9Å |
| 799 | L | 56.1 | Low | 62.9 | Low | 61.3333 Ų | 61.3333 | 88.8 Ų | 88.8 | 32% | 0.321 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -87.4 | 1.6 | 177.3 | -57.1 | 174.2 | 0 | 0 | 0 | 110.9 | I637 L688 E691 R794 R796 H797 S801 L802 R803 | I637-L799 HydrophobicContact CG2-CD1 3.72Å; L688-L799 HydrophobicContact CD2-CB 4.31Å; L688-L799 HydrophobicContact CD2-CD1 3.35Å; L688-L799 HydrophobicContact CD2-CG 4.44Å; E691-L799 VanDerWaalsContact CD-CD2 3.43Å; E691-L799 HydrophobicContact CG-CD2 4.38Å; E691-L799 WeakPolarHBondContact OE1-CD2 3.23Å; E691-L799 WeakPolarHBondContact OE2-CD2 3.32Å; R794-L799 HydrophobicContact CB-CD2 4.37Å; R796-L799 WeakPolarHBondContact O-CB 3.32Å; R796-L799 PolarHBondContact O-N 3.26Å; H797-L799 VanDerWaalsContact C-N 3.32Å; H797-L799 PolarHBondContact O-N 3.4Å; L799-S801 VanDerWaalsContact C-N 3.31Å; L799-S801 PolarHBondContact O-N 3.18Å; L799-L802 PolarHBondContact O-N 3.09Å; L799-R803 PolarHBondContact O-N 2.81Å |
| 800 | Q | 53.4 | Low | 61.6 | Low | 138 Ų | 138 | 93.5 Ų | 93.5 | 65% | 0.645 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -70.3 | -22.6 | 178.8 | -164.1 | 130.3 | 25 | 0 | 0 | 112.6 | R796 H797 L798 L802 R803 | R796-Q800 PolarHBondContact O-N 2.92Å; H797-Q800 PolarHBondContact O-N 3.22Å; L798-Q800 VanDerWaalsContact C-N 3.27Å; L798-Q800 PolarHBondContact O-N 3.43Å; Q800-L802 VanDerWaalsContact C-N 3.25Å; Q800-L802 PolarHBondContact O-N 3.32Å; Q800-R803 CarbonylContact O-C 3.59Å; Q800-R803 PolarHBondContact O-N 2.89Å |
| 801 | S | 50.1 | Low | 60.1 | Low | 69.25 Ų | 69.25 | 98 Ų | 98 | 48% | 0.484 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -68 | -24.4 | 176.2 | 62.3 | 0 | 0 | 0 | 0 | 114.1 | E691 L798 L799 R803 | E691-S801 PolarHBondContact OE2-OG 3.33Å; E691-S801 VanDerWaalsContact OE2-OG 3.11Å; L798-S801 PolarHBondContact O-N 3.09Å; L798-S801 PolarHBondContact O-OG 3.14Å; L799-S801 VanDerWaalsContact C-N 3.31Å; L799-S801 PolarHBondContact O-N 3.18Å; S801-R803 VanDerWaalsContact C-N 3.26Å; S801-R803 PolarHBondContact O-N 3.47Å |
| 802 | L | 47.4 | Very low | 59.1 | Low | 96.5 Ų | 96.5 | 98 Ų | 98 | 51% | 0.505 | 53% | 0.53 | S | S | . | . | G | 310 helix | trans | -88.9 | -18.2 | 179.1 | -73 | 167.8 | 0 | 0 | 0 | 113.4 | L688 L798 L799 Q800 G804 | L688-L802 HydrophobicContact CD2-CD1 4.1Å; L798-L802 WeakPolarHBondContact O-CD1 3.48Å; L798-L802 WeakPolarHBondContact O-CG 3.46Å; L798-L802 PolarHBondContact O-N 2.9Å; L799-L802 PolarHBondContact O-N 3.09Å; Q800-L802 VanDerWaalsContact C-N 3.25Å; Q800-L802 PolarHBondContact O-N 3.32Å; L802-G804 PolarHBondContact O-N 2.89Å |
| 803 | R | 46.3 | Very low | 58.8 | Low | 168.75 Ų | 168.75 | 99.7 Ų | 99.7 | 64% | 0.637 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -90.9 | 102.3 | 173.9 | -165.4 | -178.1 | -90.8 | -128.5 | 1.8 | 107.9 | L799 Q800 S801 D805 | L799-R803 PolarHBondContact O-N 2.81Å; Q800-R803 CarbonylContact O-C 3.59Å; Q800-R803 PolarHBondContact O-N 2.89Å; S801-R803 VanDerWaalsContact C-N 3.26Å; S801-R803 PolarHBondContact O-N 3.47Å; R803-D805 WeakPolarHBondContact CD-OD2 3.29Å; R803-D805 WeakPolarHBondContact CG-OD2 3.14Å; R803-D805 IonicContact CZ-OD2 3.58Å; R803-D805 IonicContact NE-OD2 3.31Å; R803-D805 IonicContact NH1-OD2 2.74Å; R803-D805 PolarHBondContact NH1-OD2 3.33Å; R803-D805 PolarHBondContact O-N 3.11Å; R803-D805 VanDerWaalsContact O-N 3.1Å |
| 804 | G | 44.1 | Very low | 58.8 | Low | 67.25 Ų | 67.25 | 99.4 Ų | 99.4 | 69% | 0.693 | 54% | 0.539 | S | S | * | . | trans | -66.2 | 22.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 117 | L802 S806 | L802-G804 PolarHBondContact O-N 2.89Å; G804-S806 PolarHBondContact O-N 3.27Å | ||
| 805 | D | 44.5 | Very low | 59 | Low | 119.5 Ų | 119.5 | 90.8 Ų | 90.8 | 64% | 0.639 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -91 | 16.2 | -173.4 | -61.8 | -23.5 | 0 | 0 | 0 | 113.9 | R803 A807 N808 | R803-D805 WeakPolarHBondContact CD-OD2 3.29Å; R803-D805 WeakPolarHBondContact CG-OD2 3.14Å; R803-D805 IonicContact CZ-OD2 3.58Å; R803-D805 IonicContact NE-OD2 3.31Å; R803-D805 IonicContact NH1-OD2 2.74Å; R803-D805 PolarHBondContact NH1-OD2 3.33Å; R803-D805 PolarHBondContact O-N 3.11Å; R803-D805 VanDerWaalsContact O-N 3.1Å; D805-A807 PolarHBondContact O-N 3.36Å; D805-A807 VanDerWaalsContact O-N 3.11Å; D805-N808 PolarHBondContact O-N 2.95Å |
| 806 | S | 45.2 | Very low | 59.3 | Low | 74.75 Ų | 74.75 | 98.9 Ų | 98.9 | 52% | 0.523 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -89.4 | 44.1 | 178.2 | -115.2 | 0 | 0 | 0 | 0 | 113.4 | G804 N808 C809 | G804-S806 PolarHBondContact O-N 3.27Å; S806-N808 PolarHBondContact O-N 3.17Å; S806-N808 VanDerWaalsContact O-N 3.12Å; S806-C809 PolarHBondContact O-N 3.1Å |
| 807 | A | 50.1 | Low | 59.6 | Low | 108.25 Ų | 108.25 | 94.7 Ų | 94.7 | 90% | 0.895 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -63.2 | -15.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D805 | D805-A807 PolarHBondContact O-N 3.36Å; D805-A807 VanDerWaalsContact O-N 3.11Å |
| 808 | N | 46 | Very low | 60.7 | Low | 157.25 Ų | 157.25 | 91.4 Ų | 91.4 | 84% | 0.841 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | 10.8 | -176.8 | -120.4 | 0.5 | 0 | 0 | 0 | 113.9 | D805 S806 K810 | D805-N808 PolarHBondContact O-N 2.95Å; S806-N808 PolarHBondContact O-N 3.17Å; S806-N808 VanDerWaalsContact O-N 3.12Å; N808-K810 PolarHBondContact O-N 3.09Å |
| 809 | C | 47 | Very low | 62 | Low | 81.75 Ų | 81.75 | 87.8 Ų | 87.8 | 55% | 0.552 | 49% | 0.485 | S | S | * | . | trans | -87.6 | 127.3 | 176.2 | -73.6 | 0 | 0 | 0 | 0 | 110.4 | S806 | S806-C809 PolarHBondContact O-N 3.1Š| ||
| 810 | K | 49.2 | Very low | 63.5 | Low | 173.5 Ų | 173.5 | 88.4 Ų | 88.4 | 75% | 0.754 | 48% | 0.484 | S | S | * | . | trans | -45.9 | 145 | 172.7 | -73.7 | 177.8 | 179.1 | 176.6 | 0 | 110.8 | N692 N808 T812 | N692-K810 PolarHBondContact OD1-NZ 3.41Å; N808-K810 PolarHBondContact O-N 3.09Å; K810-T812 PolarHBondContact O-N 3.19Å; K810-T812 VanDerWaalsContact O-N 3.13Å | ||
| 811 | P | 51.3 | Low | 65.1 | Low | 112 Ų | 112 | 82.8 Ų | 82.8 | 73% | 0.727 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 129.5 | -177.6 | 21.3 | -33.1 | 0 | 0 | 0 | 110.8 | I813 | P811-I813 PolarHBondContact O-N 3Å; P811-I813 VanDerWaalsContact O-N 3.09Å |
| 812 | T | 63.4 | Low | 67.1 | Low | 113.25 Ų | 113.25 | 79.6 Ų | 79.6 | 70% | 0.695 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 122.8 | 179.6 | 20.2 | 0 | 0 | 0 | 0 | 109.9 | K810 N814 | K810-T812 PolarHBondContact O-N 3.19Å; K810-T812 VanDerWaalsContact O-N 3.13Å; T812-N814 PolarHBondContact O-N 3.22Å |
| 813 | I | 79.4 | Confident | 69.1 | Low | 70.25 Ų | 70.25 | 79.6 Ų | 79.6 | 36% | 0.36 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 120.3 | -178.1 | -63.5 | 156.6 | 0 | 0 | 0 | 109.9 | W697 L712 P811 W815 | W697-I813 HydrophobicContact CH2-CD1 4.09Å; W697-I813 HydrophobicContact CH2-CG1 4.45Å; W697-I813 HydrophobicContact CH2-CG2 3.91Å; W697-I813 HydrophobicContact CZ2-CD1 3.61Å; W697-I813 HydrophobicContact CZ2-CG1 4.26Å; W697-I813 HydrophobicContact CZ2-CG2 4.26Å; L712-I813 HydrophobicContact CB-CG2 4.01Å; L712-I813 HydrophobicContact CD2-CG2 3.87Å; L712-I813 HydrophobicContact CG-CG2 4.39Å; P811-I813 PolarHBondContact O-N 3Å; P811-I813 VanDerWaalsContact O-N 3.09Å; I813-W815 VanDerWaalsContact C-N 3.3Å; I813-W815 HydrophobicContact CG2-CG 4.37Å; I813-W815 PolarHBondContact O-N 3.24Å; I813-W815 VanDerWaalsContact O-N 3.09Å |
| 814 | N | 85.3 | Confident | 71.1 | Confident | 25.5 Ų | 25.5 | 74.9 Ų | 74.9 | 14% | 0.136 | 42% | 0.418 | C | S | . | . | trans | -87.5 | 67.6 | -170 | -165.2 | -9.3 | 0 | 0 | 0 | 113.1 | L712 S714 E716 T812 R816 L817 F818 | L712-N814 PolarHBondContact O-N 3.16Å; S714-N814 VanDerWaalsContact O-CB 3.31Å; S714-N814 WeakPolarHBondContact O-CB 3.25Å; S714-N814 PolarHBondContact O-ND2 3.19Å; S714-N814 VanDerWaalsContact O-ND2 3.12Å; E716-N814 PolarHBondContact O-ND2 3.18Å; T812-N814 PolarHBondContact O-N 3.22Å; N814-R816 PolarHBondContact O-N 2.97Å; N814-R816 VanDerWaalsContact O-N 3.14Å; N814-L817 HydrophobicContact CB-CB 4.36Å; N814-L817 VanDerWaalsContact CG-CB 3.48Å; N814-L817 WeakPolarHBondContact ND2-CB 3.41Å; N814-L817 PolarHBondContact O-N 2.99Å; N814-L817 WeakPolarHBondContact OD1-CB 3.35Å; N814-L817 PolarHBondContact OD1-N 3.19Å; N814-F818 PolarHBondContact O-N 2.93Å; N814-F818 VanDerWaalsContact O-N 3.11Å | ||
| 815 | W | 88.4 | Confident | 73.2 | Confident | 17 Ų | 17 | 76.4 Ų | 76.4 | 6% | 0.064 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.2 | -27.8 | 175.3 | -77.9 | 105.1 | 0 | 0 | 0 | 113.2 | F662 V686 A687 S690 W697 F700 L712 I813 F818 F819 | F662-W815 HydrophobicContact CE2-CZ3 4.3Å; V686-W815 HydrophobicContact CG1-CD2 4.4Å; V686-W815 HydrophobicContact CG1-CE3 4.12Å; V686-W815 HydrophobicContact CG1-CH2 3.75Å; V686-W815 HydrophobicContact CG1-CZ2 4.03Å; V686-W815 HydrophobicContact CG1-CZ3 3.8Å; A687-W815 HydrophobicContact CB-CB 4.46Å; A687-W815 VanDerWaalsContact CB-CD1 3.42Å; A687-W815 HydrophobicContact CB-CG 3.93Å; S690-W815 WeakPolarHBondContact OG-CZ2 3.3Å; S690-W815 PolarHBondContact OG-NE1 2.86Å; W697-W815 HydrophobicContact CH2-CZ2 4.25Å; F700-W815 HydrophobicContact CD2-CH2 4.2Å; F700-W815 HydrophobicContact CE1-CH2 4.36Å; F700-W815 AromaticContact CE2-CH2 3.71Å; F700-W815 HydrophobicContact CE2-CH2 3.71Å; F700-W815 AromaticContact CE2-CZ2 3.95Å; F700-W815 HydrophobicContact CE2-CZ2 4Å; F700-W815 AromaticContact CZ-CH2 3.81Å; F700-W815 HydrophobicContact CZ-CH2 3.81Å; F700-W815 HydrophobicContact CZ-CZ2 4.41Å; L712-W815 HydrophobicContact CD1-CH2 4.22Å; L712-W815 HydrophobicContact CD1-CZ2 4.42Å; L712-W815 HydrophobicContact CD1-CZ3 4.38Å; L712-W815 HydrophobicContact CD2-CD2 3.64Å; L712-W815 HydrophobicContact CD2-CE3 3.66Å; L712-W815 HydrophobicContact CD2-CG 4.08Å; L712-W815 HydrophobicContact CD2-CH2 4.36Å; L712-W815 HydrophobicContact CD2-CZ2 4.35Å; L712-W815 HydrophobicContact CD2-CZ3 4.02Å; I813-W815 VanDerWaalsContact C-N 3.3Å; I813-W815 HydrophobicContact CG2-CG 4.37Å; I813-W815 PolarHBondContact O-N 3.24Å; I813-W815 VanDerWaalsContact O-N 3.09Å; W815-F818 HydrophobicContact CE3-CB 4.43Å; W815-F818 AromaticContact CE3-CD1 3.74Å; W815-F818 HydrophobicContact CE3-CD1 3.74Å; W815-F818 HydrophobicContact CE3-CE1 4.34Å; W815-F818 HydrophobicContact CE3-CG 4.18Å; W815-F818 AromaticContact CZ3-CD1 3.75Å; W815-F818 HydrophobicContact CZ3-CD1 3.75Å; W815-F818 AromaticContact CZ3-CE1 3.9Å; W815-F818 HydrophobicContact CZ3-CE1 3.9Å; W815-F818 HydrophobicContact CZ3-CG 4.25Å; W815-F818 HydrophobicContact CZ3-CZ 4.47Å; W815-F818 PolarHBondContact O-N 3.01Å; W815-F819 HydrophobicContact CB-CD2 4.41Å; W815-F819 HydrophobicContact CB-CE2 4.12Å; W815-F819 HydrophobicContact CD2-CE2 4.4Å; W815-F819 HydrophobicContact CE3-CD2 4.47Å; W815-F819 HydrophobicContact CE3-CE1 4.46Å; W815-F819 AromaticContact CE3-CE2 3.8Å; W815-F819 HydrophobicContact CE3-CE2 3.8Å; W815-F819 AromaticContact CE3-CZ 3.81Å; W815-F819 HydrophobicContact CE3-CZ 3.81Å; W815-F819 HydrophobicContact CZ3-CZ 4.26Å; W815-F819 WeakPolarHBondContact O-CD2 3.36Å; W815-F819 PolarHBondContact O-N 3.13Å |
| 816 | R | 87.1 | Confident | 75.2 | Confident | 182 Ų | 182 | 71.3 Ų | 71.3 | 69% | 0.687 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.5 | -48.4 | 178.8 | -61.8 | -176.1 | -178.4 | 143.5 | 1.4 | 111.2 | P718 N814 Y820 | P718-R816 HydrophobicContact CG-CB 3.97Å; N814-R816 PolarHBondContact O-N 2.97Å; N814-R816 VanDerWaalsContact O-N 3.14Å; R816-Y820 PolarHBondContact O-N 3.24Å |
| 817 | L | 86.2 | Confident | 77.1 | Confident | 0.25 Ų | 0.25 | 71.3 Ų | 71.3 | 0% | 0.001 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65 | -41.5 | 175.1 | -173.6 | 69.2 | 0 | 0 | 0 | 111.1 | Y711 E716 P718 N814 F819 Y820 Q821 | Y711-L817 HydrophobicContact CD1-CD2 4.21Å; E716-L817 HydrophobicContact CB-CD1 4.49Å; E716-L817 HydrophobicContact CB-CD2 4.02Å; E716-L817 HydrophobicContact CG-CD1 4.29Å; P718-L817 HydrophobicContact CB-CD1 4.36Å; N814-L817 HydrophobicContact CB-CB 4.36Å; N814-L817 VanDerWaalsContact CG-CB 3.48Å; N814-L817 WeakPolarHBondContact ND2-CB 3.41Å; N814-L817 PolarHBondContact O-N 2.99Å; N814-L817 WeakPolarHBondContact OD1-CB 3.35Å; N814-L817 PolarHBondContact OD1-N 3.19Å; L817-F819 PolarHBondContact O-N 3.25Å; L817-Y820 HydrophobicContact CD1-CD1 4.38Å; L817-Y820 WeakPolarHBondContact O-CB 3.41Å; L817-Y820 PolarHBondContact O-N 3.3Å; L817-Q821 HydrophobicContact CD1-CG 4.11Å; L817-Q821 HydrophobicContact CG-CG 4.06Å; L817-Q821 WeakPolarHBondContact O-CB 3.35Å; L817-Q821 VanDerWaalsContact O-CG 3.32Å; L817-Q821 WeakPolarHBondContact O-CG 3.34Å; L817-Q821 PolarHBondContact O-N 3.15Å |
| 818 | F | 91.5 | Very high | 78.7 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -55.4 | -51.4 | 176.5 | 173.1 | -89 | 0 | 0 | 0 | 112.5 | F662 L704 L708 L709 L712 N814 W815 Y820 Q821 F822 | F662-F818 AromaticContact CE2-CE1 3.8Å; F662-F818 HydrophobicContact CE2-CE1 3.8Å; F662-F818 HydrophobicContact CE2-CZ 4.11Å; F662-F818 AromaticContact CZ-CE1 3.98Å; F662-F818 HydrophobicContact CZ-CE1 4.01Å; F662-F818 AromaticContact CZ-CZ 3.96Å; F662-F818 HydrophobicContact CZ-CZ 3.96Å; L704-F818 HydrophobicContact CD1-CE2 4.15Å; L704-F818 HydrophobicContact CD1-CZ 3.77Å; L708-F818 HydrophobicContact CD2-CE2 3.85Å; L708-F818 HydrophobicContact CD2-CZ 4.12Å; L708-F818 HydrophobicContact CG-CD2 4.29Å; L708-F818 HydrophobicContact CG-CE2 3.75Å; L708-F818 HydrophobicContact CG-CZ 4.38Å; L709-F818 HydrophobicContact CD2-CE2 4.2Å; L712-F818 HydrophobicContact CD1-CD2 4.13Å; L712-F818 HydrophobicContact CD1-CG 4.48Å; L712-F818 HydrophobicContact CD2-CB 3.4Å; L712-F818 HydrophobicContact CD2-CD2 4.07Å; L712-F818 HydrophobicContact CD2-CG 3.78Å; L712-F818 HydrophobicContact CG-CB 3.95Å; L712-F818 HydrophobicContact CG-CD2 3.87Å; L712-F818 HydrophobicContact CG-CG 4.11Å; N814-F818 PolarHBondContact O-N 2.93Å; N814-F818 VanDerWaalsContact O-N 3.11Å; W815-F818 HydrophobicContact CE3-CB 4.43Å; W815-F818 AromaticContact CE3-CD1 3.74Å; W815-F818 HydrophobicContact CE3-CD1 3.74Å; W815-F818 HydrophobicContact CE3-CE1 4.34Å; W815-F818 HydrophobicContact CE3-CG 4.18Å; W815-F818 AromaticContact CZ3-CD1 3.75Å; W815-F818 HydrophobicContact CZ3-CD1 3.75Å; W815-F818 AromaticContact CZ3-CE1 3.9Å; W815-F818 HydrophobicContact CZ3-CE1 3.9Å; W815-F818 HydrophobicContact CZ3-CG 4.25Å; W815-F818 HydrophobicContact CZ3-CZ 4.47Å; W815-F818 PolarHBondContact O-N 3.01Å; F818-Y820 VanDerWaalsContact C-N 3.27Å; F818-Y820 PolarHBondContact O-N 3.24Å; F818-Q821 PolarHBondContact O-N 3.22Å; F818-F822 HydrophobicContact CE1-CD2 4.24Å; F818-F822 HydrophobicContact CZ-CD2 4.13Å; F818-F822 VanDerWaalsContact O-CB 3.25Å; F818-F822 WeakPolarHBondContact O-CB 3.29Å; F818-F822 PolarHBondContact O-N 3.15Å |
| 819 | F | 89.9 | Confident | 80.3 | Confident | 7.75 Ų | 7.75 | 61.8 Ų | 61.8 | 3% | 0.034 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67 | -28.9 | -179.6 | -70.5 | -59.1 | 0 | 0 | 0 | 113 | F662 A665 R683 V686 W815 L817 | F662-F819 HydrophobicContact CD2-CE1 4.45Å; F662-F819 HydrophobicContact CE2-CE1 4.29Å; A665-F819 HydrophobicContact CB-CD1 4.41Å; A665-F819 HydrophobicContact CB-CE1 3.62Å; A665-F819 HydrophobicContact CB-CZ 3.81Å; R683-F819 HydrophobicContact CB-CD2 3.99Å; R683-F819 HydrophobicContact CB-CE2 3.6Å; R683-F819 HydrophobicContact CB-CZ 4.18Å; R683-F819 HydrophobicContact CG-CD1 4.32Å; R683-F819 HydrophobicContact CG-CD2 3.63Å; R683-F819 HydrophobicContact CG-CE1 4.23Å; R683-F819 HydrophobicContact CG-CE2 3.53Å; R683-F819 VanDerWaalsContact CG-CE2 3.47Å; R683-F819 HydrophobicContact CG-CG 4.07Å; R683-F819 HydrophobicContact CG-CZ 3.85Å; V686-F819 HydrophobicContact CB-CZ 4.45Å; V686-F819 HydrophobicContact CG1-CZ 4.26Å; W815-F819 HydrophobicContact CB-CD2 4.41Å; W815-F819 HydrophobicContact CB-CE2 4.12Å; W815-F819 HydrophobicContact CD2-CE2 4.4Å; W815-F819 HydrophobicContact CE3-CD2 4.47Å; W815-F819 HydrophobicContact CE3-CE1 4.46Å; W815-F819 AromaticContact CE3-CE2 3.8Å; W815-F819 HydrophobicContact CE3-CE2 3.8Å; W815-F819 AromaticContact CE3-CZ 3.81Å; W815-F819 HydrophobicContact CE3-CZ 3.81Å; W815-F819 HydrophobicContact CZ3-CZ 4.26Å; W815-F819 WeakPolarHBondContact O-CD2 3.36Å; W815-F819 PolarHBondContact O-N 3.13Å; L817-F819 PolarHBondContact O-N 3.25Å |
| 820 | Y | 87.9 | Confident | 82.1 | Confident | 72.75 Ų | 72.75 | 58.8 Ų | 58.8 | 29% | 0.285 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.8 | -51.3 | 172.1 | 175.2 | -107.1 | 0 | 0 | 0 | 111.2 | P718 P719 V720 R816 L817 F818 F822 Q823 Q824 | P718-Y820 HydrophobicContact CB-CD1 4.31Å; P718-Y820 HydrophobicContact CB-CG 4.12Å; P719-Y820 VanDerWaalsContact CD-CE1 3.46Å; P719-Y820 HydrophobicContact CG-CE1 3.75Å; P719-Y820 HydrophobicContact CG-CE2 4.05Å; P719-Y820 VanDerWaalsContact CG-OH 3.28Å; P719-Y820 WeakPolarHBondContact CG-OH 3.42Å; V720-Y820 HydrophobicContact CG2-CE2 4.31Å; R816-Y820 PolarHBondContact O-N 3.24Å; L817-Y820 HydrophobicContact CD1-CD1 4.38Å; L817-Y820 WeakPolarHBondContact O-CB 3.41Å; L817-Y820 PolarHBondContact O-N 3.3Å; F818-Y820 VanDerWaalsContact C-N 3.27Å; F818-Y820 PolarHBondContact O-N 3.24Å; Y820-F822 VanDerWaalsContact C-N 3.3Å; Y820-F822 PolarHBondContact O-N 3.22Å; Y820-Q823 PolarHBondContact O-N 2.99Å; Y820-Q823 VanDerWaalsContact O-N 3.16Å; Y820-Q824 HydrophobicContact CE1-CG 4.44Å; Y820-Q824 PolarHBondContact OH-NE2 3.11Å |
| 821 | Q | 87.5 | Confident | 83.8 | Confident | 20.25 Ų | 20.25 | 50.5 Ų | 50.5 | 10% | 0.095 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.6 | -29.6 | -180 | -64.9 | -65 | 0.3 | 0 | 0 | 112.6 | Y711 L817 F818 Q823 Q824 H826 | Y711-Q821 HydrophobicContact CD1-CB 4.49Å; Y711-Q821 HydrophobicContact CD1-CG 3.88Å; Y711-Q821 HydrophobicContact CD2-CB 3.8Å; Y711-Q821 HydrophobicContact CD2-CG 4.04Å; Y711-Q821 HydrophobicContact CE1-CG 4Å; Y711-Q821 HydrophobicContact CE2-CB 3.92Å; Y711-Q821 HydrophobicContact CE2-CG 4.16Å; Y711-Q821 HydrophobicContact CG-CB 4.13Å; Y711-Q821 HydrophobicContact CG-CG 3.9Å; L817-Q821 HydrophobicContact CD1-CG 4.11Å; L817-Q821 HydrophobicContact CG-CG 4.06Å; L817-Q821 WeakPolarHBondContact O-CB 3.35Å; L817-Q821 VanDerWaalsContact O-CG 3.32Å; L817-Q821 WeakPolarHBondContact O-CG 3.34Å; L817-Q821 PolarHBondContact O-N 3.15Å; F818-Q821 PolarHBondContact O-N 3.22Å; Q821-Q823 PolarHBondContact O-N 2.97Å; Q821-Q824 PolarHBondContact O-N 2.95Å; Q821-Q824 VanDerWaalsContact O-N 3.14Å; Q821-Q824 VanDerWaalsContact OE1-OE1 3.12Å; Q821-H826 PolarHBondContact O-NE2 2.85Å; Q821-H826 PolarHBondContact OE1-CE1 3.05Å; Q821-H826 PolarHBondContact OE1-NE2 3.07Å |
| 822 | F | 91.6 | Very high | 85.6 | Confident | 2.75 Ų | 2.75 | 45.9 Ų | 45.9 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58 | -33.5 | 173.5 | -179.1 | -81.5 | 0 | 0 | 0 | 112.4 | F662 C666 F667 L704 L708 F818 Y820 Q824 W833 R838 L841 | F662-F822 HydrophobicContact CZ-CE2 4.4Å; C666-F822 HydrophobicContact CB-CD1 4.14Å; C666-F822 HydrophobicContact CB-CE1 3.5Å; C666-F822 VanDerWaalsContact CB-CE1 3.45Å; C666-F822 HydrophobicContact CB-CE2 4.14Å; C666-F822 HydrophobicContact CB-CZ 3.5Å; C666-F822 VanDerWaalsContact CB-CZ 3.48Å; C666-F822 VanDerWaalsContact SG-CE2 3.59Å; C666-F822 VanDerWaalsContact SG-CZ 3.58Å; F667-F822 HydrophobicContact CD1-CE1 4.48Å; F667-F822 AromaticContact CE1-CE1 3.92Å; F667-F822 HydrophobicContact CE1-CE1 4.07Å; F667-F822 AromaticContact CE1-CZ 3.99Å; F667-F822 HydrophobicContact CE1-CZ 4.02Å; F667-F822 HydrophobicContact CE2-CZ 4.19Å; F667-F822 HydrophobicContact CZ-CE1 4.2Å; F667-F822 AromaticContact CZ-CZ 3.69Å; F667-F822 HydrophobicContact CZ-CZ 3.69Å; L704-F822 HydrophobicContact CD2-CE2 4.48Å; L708-F822 HydrophobicContact CD2-CD2 4.01Å; F818-F822 HydrophobicContact CE1-CD2 4.24Å; F818-F822 HydrophobicContact CZ-CD2 4.13Å; F818-F822 VanDerWaalsContact O-CB 3.25Å; F818-F822 WeakPolarHBondContact O-CB 3.29Å; F818-F822 PolarHBondContact O-N 3.15Å; Y820-F822 VanDerWaalsContact C-N 3.3Å; Y820-F822 PolarHBondContact O-N 3.22Å; F822-Q824 VanDerWaalsContact C-N 3.32Å; F822-W833 AromaticContact CD2-CZ2 3.86Å; F822-W833 HydrophobicContact CD2-CZ2 3.86Å; F822-W833 HydrophobicContact CE2-CH2 4.24Å; F822-W833 AromaticContact CE2-CZ2 3.47Å; F822-W833 HydrophobicContact CE2-CZ2 3.47Å; F822-W833 VanDerWaalsContact CE2-CZ2 3.44Å; F822-W833 HydrophobicContact CG-CZ2 4.5Å; F822-W833 AromaticContact CZ-CZ2 3.87Å; F822-W833 HydrophobicContact CZ-CZ2 3.87Å; F822-W833 PolarHBondContact O-NE1 3.15Å; F822-W833 VanDerWaalsContact O-NE1 3.11Å; F822-R838 VanDerWaalsContact O-CD 3.3Å; F822-R838 WeakPolarHBondContact O-CD 3.4Å; F822-R838 PolarHBondContact O-NE 2.96Å; F822-L841 HydrophobicContact CE2-CD2 3.86Å; F822-L841 HydrophobicContact CZ-CD2 4.08Å |
| 823 | Q | 88.6 | Confident | 86.9 | Confident | 96.75 Ų | 96.75 | 40.5 Ų | 40.5 | 45% | 0.452 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -12 | -179.4 | -67 | -155.6 | -17.5 | 0 | 0 | 113.5 | C666 Y820 Q821 R838 | C666-Q823 PolarHBondContact O-NE2 3.31Å; Y820-Q823 PolarHBondContact O-N 2.99Å; Y820-Q823 VanDerWaalsContact O-N 3.16Å; Q821-Q823 PolarHBondContact O-N 2.97Å; Q823-R838 PolarHBondContact O-NH1 3.07Å |
| 824 | Q | 88 | Confident | 87.4 | Confident | 69.25 Ų | 69.25 | 39.4 Ų | 39.4 | 32% | 0.324 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -92.5 | 156 | 179.3 | -59.4 | -153.7 | 6.5 | 0 | 0 | 112 | Y820 Q821 F822 H826 W833 R838 | Y820-Q824 HydrophobicContact CE1-CG 4.44Å; Y820-Q824 PolarHBondContact OH-NE2 3.11Å; Q821-Q824 PolarHBondContact O-N 2.95Å; Q821-Q824 VanDerWaalsContact O-N 3.14Å; Q821-Q824 VanDerWaalsContact OE1-OE1 3.12Å; F822-Q824 VanDerWaalsContact C-N 3.32Å; Q824-H826 PolarHBondContact O-CD2 3.28Å; Q824-H826 VanDerWaalsContact O-CD2 3.29Å; Q824-H826 PolarHBondContact O-NE2 2.89Å; Q824-W833 VanDerWaalsContact O-CD1 3.28Å; Q824-R838 PolarHBondContact O-NH2 3.34Å |
| 825 | D | 89.6 | Confident | 87.6 | Confident | 100 Ų | 100 | 42.7 Ų | 42.7 | 54% | 0.535 | 21% | 0.211 | S | C | . | . | trans | -86.7 | 134.5 | 169.4 | -66.7 | -41.5 | 0 | 0 | 0 | 110.1 | W833 T834 I835 R838 | D825-W833 CarbonylContact C-O 3.55Å; D825-W833 VanDerWaalsContact CA-O 3.27Å; D825-W833 WeakPolarHBondContact CA-O 3.41Å; D825-T834 VanDerWaalsContact OD1-CA 3.23Å; D825-T834 WeakPolarHBondContact OD1-CA 3.39Å; D825-I835 PolarHBondContact OD1-N 3.08Å; D825-I835 VanDerWaalsContact OD1-N 3.12Å; D825-R838 VanDerWaalsContact CA-NH2 3.31Å; D825-R838 VanDerWaalsContact N-NH2 3.2Å; D825-R838 IonicContact OD1-CZ 3.08Å; D825-R838 IonicContact OD1-NE 2.99Å; D825-R838 IonicContact OD1-NH1 3.52Å; D825-R838 PolarHBondContact OD1-NH1 2.85Å; D825-R838 IonicContact OD1-NH2 3.13Å; D825-R838 PolarHBondContact OD1-NH2 3.24Å; D825-R838 IonicContact OD2-NH2 3.08Å; D825-R838 PolarHBondContact OD2-NH2 3.16Å | ||
| 826 | H | 86.9 | Confident | 87.8 | Confident | 11.5 Ų | 11.5 | 49.3 Ų | 49.3 | 5% | 0.053 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 133.4 | 179 | -60.8 | -85.8 | 0 | 0 | 0 | 110.3 | Y711 Q821 Q824 L831 I832 W833 | Y711-H826 AromaticContact CE2-CE1 3.92Å; Y711-H826 AromaticContact CZ-CE1 3.83Å; Y711-H826 PolarHBondContact OH-CE1 3.19Å; Y711-H826 PolarHBondContact OH-ND1 3.25Å; Y711-H826 VanDerWaalsContact OH-ND1 3.13Å; Q821-H826 PolarHBondContact O-NE2 2.85Å; Q821-H826 PolarHBondContact OE1-CE1 3.05Å; Q821-H826 PolarHBondContact OE1-NE2 3.07Å; Q824-H826 PolarHBondContact O-CD2 3.28Å; Q824-H826 VanDerWaalsContact O-CD2 3.29Å; Q824-H826 PolarHBondContact O-NE2 2.89Å; H826-L831 HydrophobicContact CB-CD2 3.77Å; H826-L831 HydrophobicContact CB-CG 3.96Å; H826-I832 WeakPolarHBondContact O-CA 3Å; H826-W833 HydrophobicContact CB-CB 4.02Å; H826-W833 PolarHBondContact N-O 3.06Å; H826-W833 PolarHBondContact O-N 3.16Å |
| 827 | A | 85.1 | Confident | 88 | Confident | 75.75 Ų | 75.75 | 40.7 Ų | 40.7 | 63% | 0.626 | 20% | 0.203 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 85.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | L1007 | A827-L1007 HydrophobicContact CB-CD1 4.49Å; A827-L1007 HydrophobicContact CB-CD2 4.46Å |
| 828 | K | 83.8 | Confident | 88.3 | Confident | 61.75 Ų | 61.75 | 42 Ų | 42 | 27% | 0.268 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 159.4 | -177.4 | -57.5 | -177.4 | -175.1 | -175.3 | 0 | 110.1 | Y711 D830 L831 L1007 | Y711-K828 PolarHBondContact OH-NZ 3.23Å; K828-D830 VanDerWaalsContact CB-OD1 3.31Å; K828-D830 WeakPolarHBondContact CB-OD1 3.4Å; K828-D830 PolarHBondContact O-N 3.13Å; K828-D830 VanDerWaalsContact O-N 3.1Å; K828-L831 HydrophobicContact CB-CB 4.44Å; K828-L831 PolarHBondContact N-O 3.05Å; K828-L831 CarbonylContact O-C 3.55Å; K828-L831 PolarHBondContact O-N 3.21Å; K828-L831 VanDerWaalsContact O-O 3.13Å; K828-L1007 VanDerWaalsContact O-CD1 3.26Å; K828-L1007 WeakPolarHBondContact O-CD1 3.32Å |
| 829 | A | 79.3 | Confident | 88.4 | Confident | 4.5 Ų | 4.5 | 44.3 Ų | 44.3 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -29.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y1003 F1004 L1008 E1011 | A829-Y1003 CarbonylContact O-C 3.53Å; A829-Y1003 VanDerWaalsContact O-CA 3.24Å; A829-Y1003 WeakPolarHBondContact O-CA 3.23Å; A829-F1004 PolarHBondContact O-N 3.24Å; A829-L1008 HydrophobicContact CB-CB 4.16Å; A829-L1008 HydrophobicContact CB-CD1 4.14Å; A829-E1011 PolarHBondContact N-OE1 3.26Å |
| 830 | D | 83.2 | Confident | 88.6 | Confident | 17 Ų | 17 | 45.1 Ų | 45.1 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -9.6 | 178.4 | 68.5 | -35.2 | 0 | 0 | 0 | 114.3 | G707 K828 Y1003 R1039 | G707-D830 WeakPolarHBondContact CA-OD2 3.48Å; K828-D830 VanDerWaalsContact CB-OD1 3.31Å; K828-D830 WeakPolarHBondContact CB-OD1 3.4Å; K828-D830 PolarHBondContact O-N 3.13Å; K828-D830 VanDerWaalsContact O-N 3.1Å; D830-Y1003 HydrophobicContact CB-CD1 4.05Å; D830-Y1003 HydrophobicContact CB-CE1 3.97Å; D830-R1039 HydrophobicContact CB-CG 4.42Å; D830-R1039 WeakPolarHBondContact OD1-CD 3.24Å; D830-R1039 IonicContact OD1-NE 3.21Å; D830-R1039 WeakPolarHBondContact OD2-CD 3.28Å |
| 831 | L | 86.7 | Confident | 88.9 | Confident | 0.25 Ų | 0.25 | 41.6 Ų | 41.6 | 0% | 0.001 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 111.7 | -170 | -177.2 | 61.3 | 0 | 0 | 0 | 112.3 | P705 L708 Y711 H826 K828 W833 | P705-L831 HydrophobicContact CB-CD1 3.7Å; P705-L831 HydrophobicContact CG-CD1 4.14Å; L708-L831 HydrophobicContact CB-CD1 3.91Å; L708-L831 HydrophobicContact CB-CD2 4.19Å; L708-L831 HydrophobicContact CD1-CD2 4.07Å; Y711-L831 HydrophobicContact CE2-CD2 3.94Å; H826-L831 HydrophobicContact CB-CD2 3.77Å; H826-L831 HydrophobicContact CB-CG 3.96Å; K828-L831 HydrophobicContact CB-CB 4.44Å; K828-L831 PolarHBondContact N-O 3.05Å; K828-L831 CarbonylContact O-C 3.55Å; K828-L831 PolarHBondContact O-N 3.21Å; K828-L831 VanDerWaalsContact O-O 3.13Å; L831-W833 HydrophobicContact CD1-CB 3.98Å; L831-W833 HydrophobicContact CD2-CB 4.32Å; L831-W833 HydrophobicContact CG-CB 4.01Å |
| 832 | I | 87.2 | Confident | 89.2 | Confident | 15.75 Ų | 15.75 | 42.9 Ų | 42.9 | 8% | 0.081 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 113.4 | 158.1 | -61.4 | 177.4 | 0 | 0 | 0 | 107.3 | H826 T834 L994 E997 F1004 L1007 | H826-I832 WeakPolarHBondContact O-CA 3Å; I832-T834 HydrophobicContact CG2-CG2 4.21Å; I832-L994 HydrophobicContact CB-CD2 3.84Å; I832-L994 HydrophobicContact CD1-CD2 4.2Å; I832-L994 HydrophobicContact CG2-CD2 3.63Å; I832-E997 HydrophobicContact CD1-CB 4.41Å; I832-E997 HydrophobicContact CD1-CG 4.04Å; I832-F1004 HydrophobicContact CB-CE2 4.1Å; I832-F1004 HydrophobicContact CB-CZ 4.1Å; I832-F1004 HydrophobicContact CD1-CB 4.31Å; I832-F1004 HydrophobicContact CD1-CD1 3.5Å; I832-F1004 VanDerWaalsContact CD1-CD1 3.49Å; I832-F1004 HydrophobicContact CD1-CD2 3.97Å; I832-F1004 HydrophobicContact CD1-CE1 3.68Å; I832-F1004 HydrophobicContact CD1-CE2 4.14Å; I832-F1004 HydrophobicContact CD1-CG 3.65Å; I832-F1004 HydrophobicContact CD1-CZ 4Å; I832-F1004 HydrophobicContact CG1-CD1 4.2Å; I832-F1004 HydrophobicContact CG1-CD2 3.75Å; I832-F1004 HydrophobicContact CG1-CE1 4.19Å; I832-F1004 HydrophobicContact CG1-CE2 3.76Å; I832-F1004 HydrophobicContact CG1-CG 3.98Å; I832-F1004 HydrophobicContact CG1-CZ 3.98Å; I832-L1007 HydrophobicContact CD1-CD1 3.81Å; I832-L1007 HydrophobicContact CG1-CD1 3.53Å; I832-L1007 VanDerWaalsContact CG1-CD1 3.49Å |
| 833 | W | 91.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 107 | 177.8 | -165.7 | -119.3 | 0 | 0 | 0 | 109.1 | P705 L708 F822 Q824 D825 H826 L831 T837 R838 L841 Y991 | P705-W833 HydrophobicContact CG-CE3 4.11Å; P705-W833 HydrophobicContact CG-CZ3 4.17Å; L708-W833 HydrophobicContact CD1-CG 4.46Å; L708-W833 HydrophobicContact CD2-CD2 4.28Å; L708-W833 HydrophobicContact CD2-CH2 4.49Å; L708-W833 HydrophobicContact CD2-CZ2 4.14Å; F822-W833 AromaticContact CD2-CZ2 3.86Å; F822-W833 HydrophobicContact CD2-CZ2 3.86Å; F822-W833 HydrophobicContact CE2-CH2 4.24Å; F822-W833 AromaticContact CE2-CZ2 3.47Å; F822-W833 HydrophobicContact CE2-CZ2 3.47Å; F822-W833 VanDerWaalsContact CE2-CZ2 3.44Å; F822-W833 HydrophobicContact CG-CZ2 4.5Å; F822-W833 AromaticContact CZ-CZ2 3.87Å; F822-W833 HydrophobicContact CZ-CZ2 3.87Å; F822-W833 PolarHBondContact O-NE1 3.15Å; F822-W833 VanDerWaalsContact O-NE1 3.11Å; Q824-W833 VanDerWaalsContact O-CD1 3.28Å; D825-W833 CarbonylContact C-O 3.55Å; D825-W833 VanDerWaalsContact CA-O 3.27Å; D825-W833 WeakPolarHBondContact CA-O 3.41Å; H826-W833 HydrophobicContact CB-CB 4.02Å; H826-W833 PolarHBondContact N-O 3.06Å; H826-W833 PolarHBondContact O-N 3.16Å; L831-W833 HydrophobicContact CD1-CB 3.98Å; L831-W833 HydrophobicContact CD2-CB 4.32Å; L831-W833 HydrophobicContact CG-CB 4.01Å; W833-T837 VanDerWaalsContact CE3-OG1 3.27Å; W833-T837 WeakPolarHBondContact CZ3-OG1 3.36Å; W833-R838 HydrophobicContact CD2-CG 4.18Å; W833-R838 VanDerWaalsContact CE2-CG 3.41Å; W833-R838 HydrophobicContact CH2-CG 4.06Å; W833-R838 HydrophobicContact CZ2-CB 4.33Å; W833-R838 HydrophobicContact CZ2-CG 3.3Å; W833-R838 VanDerWaalsContact CZ2-CG 3.43Å; W833-R838 VanDerWaalsContact NE1-NE 3.15Å; W833-L841 HydrophobicContact CH2-CB 4.27Å; W833-L841 HydrophobicContact CH2-CD2 3.69Å; W833-L841 HydrophobicContact CZ2-CD2 4.25Å; W833-Y991 HydrophobicContact CZ3-CE1 4.11Å; W833-Y991 AromaticContact CZ3-CZ 3.97Å |
| 834 | T | 90 | Very high | 89.7 | Confident | 47.5 Ų | 47.5 | 45.6 Ų | 45.6 | 29% | 0.291 | 23% | 0.231 | S | C | . | . | trans | -123.5 | 172.8 | -176.8 | 62.4 | 0 | 0 | 0 | 0 | 110.6 | D825 I832 R836 T837 R838 | D825-T834 VanDerWaalsContact OD1-CA 3.23Å; D825-T834 WeakPolarHBondContact OD1-CA 3.39Å; I832-T834 HydrophobicContact CG2-CG2 4.21Å; T834-R836 PolarHBondContact O-N 3.17Å; T834-R836 VanDerWaalsContact O-N 3.15Å; T834-R836 PolarHBondContact OG1-N 2.98Å; T834-T837 PolarHBondContact N-OG1 3.07Å; T834-T837 PolarHBondContact O-N 3.28Å; T834-T837 PolarHBondContact O-OG1 3.1Å; T834-T837 VanDerWaalsContact O-OG1 3.09Å; T834-T837 PolarHBondContact OG1-N 3.2Å; T834-R838 WeakPolarHBondContact O-CB 3.36Å; T834-R838 VanDerWaalsContact O-CG 3.26Å; T834-R838 WeakPolarHBondContact O-CG 3.37Å; T834-R838 PolarHBondContact O-N 3.19Å; T834-R838 PolarHBondContact O-NE 3.05Å | ||
| 835 | I | 90.5 | Very high | 90 | Very high | 94.75 Ų | 94.75 | 42.4 Ų | 42.4 | 49% | 0.486 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -54.6 | -32.9 | 167.5 | -170.1 | 58.5 | 0 | 0 | 0 | 112.3 | D825 N839 | D825-I835 PolarHBondContact OD1-N 3.08Å; D825-I835 VanDerWaalsContact OD1-N 3.12Å; I835-N839 WeakPolarHBondContact O-CB 3.35Å; I835-N839 PolarHBondContact O-N 3.29Å; I835-N839 PolarHBondContact O-ND2 3.11Å; I835-N839 PolarHBondContact O-OD1 2.91Å |
| 836 | R | 91.1 | Very high | 90.2 | Very high | 155.75 Ų | 155.75 | 41.2 Ų | 41.2 | 59% | 0.588 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -68.5 | -51.1 | 177.8 | -173.5 | 173.1 | -179 | 167.5 | 0.4 | 111.8 | T834 R838 N839 E840 | T834-R836 PolarHBondContact O-N 3.17Å; T834-R836 VanDerWaalsContact O-N 3.15Å; T834-R836 PolarHBondContact OG1-N 2.98Å; R836-R838 VanDerWaalsContact C-N 3.27Å; R836-R838 PolarHBondContact O-N 3.23Å; R836-N839 PolarHBondContact O-N 3.28Å; R836-N839 VanDerWaalsContact O-N 3.11Å; R836-E840 IonicContact NE-OE1 3.48Å; R836-E840 PolarHBondContact NE-OE1 3.14Å; R836-E840 WeakPolarHBondContact O-CG 3.37Å; R836-E840 PolarHBondContact O-N 2.99Å |
| 837 | T | 91.3 | Very high | 90.6 | Very high | 0.5 Ų | 0.5 | 46.7 Ų | 46.7 | 0% | 0.003 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.4 | -34 | 177.9 | 60.9 | 0 | 0 | 0 | 0 | 111.6 | W833 T834 E840 L841 Y991 S993 L994 | W833-T837 VanDerWaalsContact CE3-OG1 3.27Å; W833-T837 WeakPolarHBondContact CZ3-OG1 3.36Å; T834-T837 PolarHBondContact N-OG1 3.07Å; T834-T837 PolarHBondContact O-N 3.28Å; T834-T837 PolarHBondContact O-OG1 3.1Å; T834-T837 VanDerWaalsContact O-OG1 3.09Å; T834-T837 PolarHBondContact OG1-N 3.2Å; T837-E840 PolarHBondContact O-N 3.02Å; T837-L841 WeakPolarHBondContact O-CB 3.46Å; T837-L841 PolarHBondContact O-N 3.12Å; T837-Y991 HydrophobicContact CG2-CD1 4.34Å; T837-Y991 WeakPolarHBondContact O-CE1 3.3Å; T837-S993 WeakPolarHBondContact CG2-OG 3.32Å; T837-L994 HydrophobicContact CG2-CD1 4.15Å; T837-L994 HydrophobicContact CG2-CD2 4.12Å; T837-L994 HydrophobicContact CG2-CG 4.1Å |
| 838 | R | 92.8 | Very high | 91 | Very high | 27 Ų | 27 | 45.1 Ų | 45.1 | 10% | 0.102 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.4 | -41 | 172.2 | -77.7 | -176.4 | -90.1 | 153.3 | 1.4 | 112.6 | F667 F822 Q823 Q824 D825 W833 T834 R836 L841 R842 | F667-R838 HydrophobicContact CE1-CB 4.45Å; F667-R838 VanDerWaalsContact CZ-O 3.27Å; F667-R838 WeakPolarHBondContact CZ-O 3.34Å; F822-R838 VanDerWaalsContact O-CD 3.3Å; F822-R838 WeakPolarHBondContact O-CD 3.4Å; F822-R838 PolarHBondContact O-NE 2.96Å; Q823-R838 PolarHBondContact O-NH1 3.07Å; Q824-R838 PolarHBondContact O-NH2 3.34Å; D825-R838 VanDerWaalsContact CA-NH2 3.31Å; D825-R838 VanDerWaalsContact N-NH2 3.2Å; D825-R838 IonicContact OD1-CZ 3.08Å; D825-R838 IonicContact OD1-NE 2.99Å; D825-R838 IonicContact OD1-NH1 3.52Å; D825-R838 PolarHBondContact OD1-NH1 2.85Å; D825-R838 IonicContact OD1-NH2 3.13Å; D825-R838 PolarHBondContact OD1-NH2 3.24Å; D825-R838 IonicContact OD2-NH2 3.08Å; D825-R838 PolarHBondContact OD2-NH2 3.16Å; W833-R838 HydrophobicContact CD2-CG 4.18Å; W833-R838 VanDerWaalsContact CE2-CG 3.41Å; W833-R838 HydrophobicContact CH2-CG 4.06Å; W833-R838 HydrophobicContact CZ2-CB 4.33Å; W833-R838 HydrophobicContact CZ2-CG 3.3Å; W833-R838 VanDerWaalsContact CZ2-CG 3.43Å; W833-R838 VanDerWaalsContact NE1-NE 3.15Å; T834-R838 WeakPolarHBondContact O-CB 3.36Å; T834-R838 VanDerWaalsContact O-CG 3.26Å; T834-R838 WeakPolarHBondContact O-CG 3.37Å; T834-R838 PolarHBondContact O-N 3.19Å; T834-R838 PolarHBondContact O-NE 3.05Å; R836-R838 VanDerWaalsContact C-N 3.27Å; R836-R838 PolarHBondContact O-N 3.23Å; R838-L841 PolarHBondContact O-N 2.96Å; R838-R842 WeakPolarHBondContact O-CB 3.47Å; R838-R842 PolarHBondContact O-N 3.01Å |
| 839 | N | 92.9 | Very high | 91.3 | Very high | 48.25 Ų | 48.25 | 42.7 Ų | 42.7 | 26% | 0.258 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69.5 | -42.4 | 176.8 | -68.5 | -11.5 | 0 | 0 | 0 | 111.3 | I835 R836 L841 R842 E843 | I835-N839 WeakPolarHBondContact O-CB 3.35Å; I835-N839 PolarHBondContact O-N 3.29Å; I835-N839 PolarHBondContact O-ND2 3.11Å; I835-N839 PolarHBondContact O-OD1 2.91Å; R836-N839 PolarHBondContact O-N 3.28Å; R836-N839 VanDerWaalsContact O-N 3.11Å; N839-L841 VanDerWaalsContact C-N 3.3Å; N839-L841 PolarHBondContact O-N 3.11Å; N839-R842 WeakPolarHBondContact O-CA 3.28Å; N839-R842 WeakPolarHBondContact O-CB 3.33Å; N839-R842 PolarHBondContact O-N 3.31Å; N839-R842 VanDerWaalsContact O-N 3.08Å; N839-R842 VanDerWaalsContact OD1-CZ 3.29Å; N839-R842 PolarHBondContact OD1-NH1 3.24Å; N839-R842 PolarHBondContact OD1-NH2 3.21Å; N839-R842 VanDerWaalsContact OD1-NH2 3.09Å; N839-E843 WeakPolarHBondContact O-CB 3.4Å; N839-E843 WeakPolarHBondContact O-CG 3.42Å; N839-E843 PolarHBondContact O-N 3.04Å |
| 840 | E | 94.3 | Very high | 91.9 | Very high | 24.25 Ų | 24.25 | 48.1 Ų | 48.1 | 11% | 0.113 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58 | -41.9 | 174.2 | -70 | 172.6 | 172.5 | 0 | 0 | 111.5 | R836 T837 S844 Y991 P992 S993 | R836-E840 IonicContact NE-OE1 3.48Å; R836-E840 PolarHBondContact NE-OE1 3.14Å; R836-E840 WeakPolarHBondContact O-CG 3.37Å; R836-E840 PolarHBondContact O-N 2.99Å; T837-E840 PolarHBondContact O-N 3.02Å; E840-S844 VanDerWaalsContact O-CB 3.3Å; E840-S844 WeakPolarHBondContact O-CB 3.29Å; E840-S844 PolarHBondContact O-N 3.18Å; E840-S844 VanDerWaalsContact O-N 3.09Å; E840-Y991 HydrophobicContact CB-CD1 4.1Å; E840-Y991 HydrophobicContact CB-CE1 4.48Å; E840-Y991 VanDerWaalsContact OE2-CA 3.24Å; E840-Y991 WeakPolarHBondContact OE2-CA 3.32Å; E840-Y991 WeakPolarHBondContact OE2-CB 3.18Å; E840-Y991 WeakPolarHBondContact OE2-CD1 3.3Å; E840-P992 WeakPolarHBondContact OE2-CD 3.35Å; E840-S993 VanDerWaalsContact CD-OG 3.28Å; E840-S993 VanDerWaalsContact OE1-CB 3.28Å; E840-S993 WeakPolarHBondContact OE1-CB 3.35Å; E840-S993 PolarHBondContact OE1-N 3.18Å; E840-S993 VanDerWaalsContact OE1-N 3.1Å; E840-S993 PolarHBondContact OE1-OG 3.3Å; E840-S993 VanDerWaalsContact OE1-OG 3.09Å; E840-S993 WeakPolarHBondContact OE2-CB 3.49Å; E840-S993 PolarHBondContact OE2-OG 2.99Å |
| 841 | L | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.8 | -45.8 | 171.6 | 173.2 | 64 | 0 | 0 | 0 | 111.9 | F667 M703 L704 F822 W833 T837 R838 N839 S844 M845 V989 Y991 | F667-L841 HydrophobicContact CE2-CD2 4.45Å; F667-L841 HydrophobicContact CE2-CG 4.41Å; F667-L841 HydrophobicContact CZ-CD2 4.3Å; F667-L841 HydrophobicContact CZ-CG 4.37Å; M703-L841 HydrophobicContact CE-CD1 4.42Å; L704-L841 HydrophobicContact CD2-CD2 3.74Å; F822-L841 HydrophobicContact CE2-CD2 3.86Å; F822-L841 HydrophobicContact CZ-CD2 4.08Å; W833-L841 HydrophobicContact CH2-CB 4.27Å; W833-L841 HydrophobicContact CH2-CD2 3.69Å; W833-L841 HydrophobicContact CZ2-CD2 4.25Å; T837-L841 WeakPolarHBondContact O-CB 3.46Å; T837-L841 PolarHBondContact O-N 3.12Å; R838-L841 PolarHBondContact O-N 2.96Å; N839-L841 VanDerWaalsContact C-N 3.3Å; N839-L841 PolarHBondContact O-N 3.11Å; L841-S844 PolarHBondContact O-N 3.14Å; L841-M845 HydrophobicContact CD1-CE 4.18Å; L841-M845 HydrophobicContact CD1-CG 4.03Å; L841-M845 HydrophobicContact CD1-SD 4.14Å; L841-M845 HydrophobicContact CD2-CE 4.36Å; L841-M845 HydrophobicContact CG-CE 3.99Å; L841-M845 HydrophobicContact CG-SD 4.5Å; L841-M845 WeakPolarHBondContact O-CG 3.22Å; L841-M845 PolarHBondContact O-N 3.11Å; L841-V989 HydrophobicContact CB-CG1 4.47Å; L841-V989 HydrophobicContact CD1-CB 4.36Å; L841-V989 HydrophobicContact CD1-CG1 4.17Å; L841-V989 HydrophobicContact CD1-CG2 3.7Å; L841-Y991 HydrophobicContact CB-CE1 4.23Å |
| 842 | R | 94.3 | Very high | 92.4 | Very high | 47.25 Ų | 47.25 | 51.9 Ų | 51.9 | 18% | 0.178 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.4 | -52.4 | -180 | -170.2 | -170.8 | -55.1 | 107.6 | 9 | 110.9 | F667 R838 N839 S844 M845 E846 | F667-R842 HydrophobicContact CD1-CB 4.27Å; F667-R842 HydrophobicContact CD1-CG 4.25Å; F667-R842 HydrophobicContact CD2-CB 4.23Å; F667-R842 HydrophobicContact CD2-CG 3.96Å; F667-R842 HydrophobicContact CE1-CB 3.96Å; F667-R842 HydrophobicContact CE1-CG 4.28Å; F667-R842 HydrophobicContact CE2-CB 3.83Å; F667-R842 HydrophobicContact CE2-CG 4.08Å; F667-R842 HydrophobicContact CG-CB 4.46Å; F667-R842 HydrophobicContact CG-CG 4.04Å; F667-R842 HydrophobicContact CZ-CB 3.67Å; F667-R842 HydrophobicContact CZ-CG 4.27Å; R838-R842 WeakPolarHBondContact O-CB 3.47Å; R838-R842 PolarHBondContact O-N 3.01Å; N839-R842 WeakPolarHBondContact O-CA 3.28Å; N839-R842 WeakPolarHBondContact O-CB 3.33Å; N839-R842 PolarHBondContact O-N 3.31Å; N839-R842 VanDerWaalsContact O-N 3.08Å; N839-R842 VanDerWaalsContact OD1-CZ 3.29Å; N839-R842 PolarHBondContact OD1-NH1 3.24Å; N839-R842 PolarHBondContact OD1-NH2 3.21Å; N839-R842 VanDerWaalsContact OD1-NH2 3.09Å; R842-S844 VanDerWaalsContact C-N 3.33Å; R842-S844 PolarHBondContact O-N 3.41Å; R842-M845 PolarHBondContact O-N 3.19Å; R842-M845 VanDerWaalsContact O-N 3.14Å; R842-E846 VanDerWaalsContact CD-OE1 3.26Å; R842-E846 WeakPolarHBondContact CD-OE1 3.33Å; R842-E846 HydrophobicContact CG-CG 4.32Å; R842-E846 WeakPolarHBondContact CG-OE1 3.35Å; R842-E846 WeakPolarHBondContact O-CB 3.37Å; R842-E846 WeakPolarHBondContact O-CG 3.35Å; R842-E846 PolarHBondContact O-N 3.05Å |
| 843 | E | 94.9 | Very high | 92.3 | Very high | 124.25 Ų | 124.25 | 55.2 Ų | 55.2 | 58% | 0.581 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60.2 | -43.1 | -179.2 | -71.4 | 169.5 | -159.3 | 0 | 0 | 111.2 | N839 M845 E846 K847 | N839-E843 WeakPolarHBondContact O-CB 3.4Å; N839-E843 WeakPolarHBondContact O-CG 3.42Å; N839-E843 PolarHBondContact O-N 3.04Å; E843-M845 PolarHBondContact O-N 3.19Å; E843-E846 PolarHBondContact O-N 3.22Å; E843-K847 VanDerWaalsContact O-CB 3.25Å; E843-K847 WeakPolarHBondContact O-CB 3.36Å; E843-K847 PolarHBondContact O-N 3.16Å |
| 844 | S | 94.8 | Very high | 92.1 | Very high | 32.75 Ų | 32.75 | 60.6 Ų | 60.6 | 23% | 0.229 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 176.6 | -170.4 | 0 | 0 | 0 | 0 | 112.5 | E840 L841 R842 E848 | E840-S844 VanDerWaalsContact O-CB 3.3Å; E840-S844 WeakPolarHBondContact O-CB 3.29Å; E840-S844 PolarHBondContact O-N 3.18Å; E840-S844 VanDerWaalsContact O-N 3.09Å; L841-S844 PolarHBondContact O-N 3.14Å; R842-S844 VanDerWaalsContact C-N 3.33Å; R842-S844 PolarHBondContact O-N 3.41Å; S844-E848 WeakPolarHBondContact O-CB 3.4Å; S844-E848 PolarHBondContact O-N 3.18Å; S844-E848 VanDerWaalsContact O-N 3.15Å |
| 845 | M | 94.7 | Very high | 91.8 | Very high | 0.75 Ų | 0.75 | 63.5 Ų | 63.5 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -75.2 | -38.2 | 178.2 | -69 | -161.6 | -64.1 | 0 | 0 | 112.9 | L659 F662 W663 F667 M703 L841 R842 E843 E848 L849 F987 | L659-M845 HydrophobicContact CD1-CB 4.3Å; L659-M845 HydrophobicContact CD1-CG 3.74Å; L659-M845 HydrophobicContact CD1-SD 3.53Å; L659-M845 WeakPolarHBondContact CD1-SD 3.43Å; L659-M845 HydrophobicContact CG-SD 4.38Å; F662-M845 HydrophobicContact CD1-CE 4.09Å; F662-M845 HydrophobicContact CD1-SD 3.85Å; F662-M845 HydrophobicContact CE1-CE 4.32Å; F662-M845 HydrophobicContact CE1-SD 4.41Å; W663-M845 HydrophobicContact CB-CE 4.02Å; W663-M845 HydrophobicContact CB-SD 4.47Å; W663-M845 HydrophobicContact CG-CE 4.42Å; F667-M845 HydrophobicContact CD2-CE 3.97Å; F667-M845 HydrophobicContact CE2-CE 3.45Å; F667-M845 HydrophobicContact CZ-CE 4.49Å; M703-M845 HydrophobicContact CE-CG 4.06Å; M703-M845 HydrophobicContact CE-SD 3.32Å; M703-M845 WeakPolarHBondContact CE-SD 3.42Å; L841-M845 HydrophobicContact CD1-CE 4.18Å; L841-M845 HydrophobicContact CD1-CG 4.03Å; L841-M845 HydrophobicContact CD1-SD 4.14Å; L841-M845 HydrophobicContact CD2-CE 4.36Å; L841-M845 HydrophobicContact CG-CE 3.99Å; L841-M845 HydrophobicContact CG-SD 4.5Å; L841-M845 WeakPolarHBondContact O-CG 3.22Å; L841-M845 PolarHBondContact O-N 3.11Å; R842-M845 PolarHBondContact O-N 3.19Å; R842-M845 VanDerWaalsContact O-N 3.14Å; E843-M845 PolarHBondContact O-N 3.19Å; M845-E848 PolarHBondContact O-N 3.34Å; M845-L849 WeakPolarHBondContact O-CB 3.3Å; M845-L849 VanDerWaalsContact O-CG 3.23Å; M845-L849 WeakPolarHBondContact O-CG 3.48Å; M845-L849 PolarHBondContact O-N 3.1Å; M845-F987 HydrophobicContact CG-CE1 4.39Å; M845-F987 HydrophobicContact CG-CZ 4.21Å |
| 846 | E | 93.8 | Very high | 91.5 | Very high | 76 Ų | 76 | 60.3 Ų | 60.3 | 36% | 0.355 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 177.2 | -77.2 | 174.5 | -173.2 | 0 | 0 | 111.1 | W663 R842 E843 L849 Q850 | W663-E846 HydrophobicContact CZ2-CG 4.46Å; W663-E846 WeakPolarHBondContact CZ2-OE1 3.4Å; W663-E846 VanDerWaalsContact NE1-CG 3.32Å; W663-E846 PolarHBondContact NE1-OE1 2.97Å; R842-E846 VanDerWaalsContact CD-OE1 3.26Å; R842-E846 WeakPolarHBondContact CD-OE1 3.33Å; R842-E846 HydrophobicContact CG-CG 4.32Å; R842-E846 WeakPolarHBondContact CG-OE1 3.35Å; R842-E846 WeakPolarHBondContact O-CB 3.37Å; R842-E846 WeakPolarHBondContact O-CG 3.35Å; R842-E846 PolarHBondContact O-N 3.05Å; E843-E846 PolarHBondContact O-N 3.22Å; E846-L849 PolarHBondContact O-N 3.04Å; E846-Q850 VanDerWaalsContact O-CB 3.26Å; E846-Q850 WeakPolarHBondContact O-CB 3.35Å; E846-Q850 PolarHBondContact O-N 3.23Å |
| 847 | K | 94.3 | Very high | 90.9 | Very high | 125.75 Ų | 125.75 | 56.7 Ų | 56.7 | 55% | 0.547 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.2 | -53.5 | 174.1 | -177.2 | -176.6 | 171.4 | -171.8 | 0 | 111.4 | E843 L849 Q850 E851 | E843-K847 VanDerWaalsContact O-CB 3.25Å; E843-K847 WeakPolarHBondContact O-CB 3.36Å; E843-K847 PolarHBondContact O-N 3.16Å; K847-L849 VanDerWaalsContact C-N 3.33Å; K847-L849 PolarHBondContact O-N 3.26Å; K847-Q850 CarbonylContact O-C 3.29Å; K847-Q850 WeakPolarHBondContact O-CA 3.48Å; K847-Q850 WeakPolarHBondContact O-CB 3.17Å; K847-Q850 PolarHBondContact O-N 3.27Å; K847-Q850 VanDerWaalsContact O-N 3.16Å; K847-E851 WeakPolarHBondContact CE-OE1 3.28Å; K847-E851 VanDerWaalsContact CE-OE2 3.22Å; K847-E851 WeakPolarHBondContact CE-OE2 3.31Å; K847-E851 IonicContact NZ-OE1 3.44Å; K847-E851 PolarHBondContact NZ-OE1 3.45Å; K847-E851 IonicContact NZ-OE2 3.72Å; K847-E851 WeakPolarHBondContact O-CG 3.44Å; K847-E851 PolarHBondContact O-N 2.95Å |
| 848 | E | 93.8 | Very high | 90.3 | Very high | 43 Ų | 43 | 63.7 Ų | 63.7 | 20% | 0.201 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.7 | -46.3 | 179.6 | -175.1 | 70.9 | -165.1 | 0 | 0 | 111.9 | L659 S844 M845 Q850 E851 F852 W982 F987 | L659-E848 HydrophobicContact CD2-CB 4.22Å; L659-E848 HydrophobicContact CD2-CG 3.91Å; S844-E848 WeakPolarHBondContact O-CB 3.4Å; S844-E848 PolarHBondContact O-N 3.18Å; S844-E848 VanDerWaalsContact O-N 3.15Å; M845-E848 PolarHBondContact O-N 3.34Å; E848-Q850 VanDerWaalsContact C-N 3.3Å; E848-Q850 PolarHBondContact O-N 3.13Å; E848-E851 PolarHBondContact O-N 3.18Å; E848-F852 WeakPolarHBondContact O-CB 3.42Å; E848-F852 PolarHBondContact O-N 3.22Å; E848-W982 HydrophobicContact CG-CZ2 4.08Å; E848-W982 PolarHBondContact OE1-NE1 3.23Å; E848-F987 HydrophobicContact CB-CD2 4.06Å; E848-F987 HydrophobicContact CB-CE2 3.52Å; E848-F987 VanDerWaalsContact CB-CE2 3.49Å; E848-F987 HydrophobicContact CB-CZ 4.05Å; E848-F987 VanDerWaalsContact CD-CD2 3.44Å; E848-F987 HydrophobicContact CG-CD2 3.53Å; E848-F987 VanDerWaalsContact CG-CD2 3.5Å; E848-F987 HydrophobicContact CG-CE2 3.54Å; E848-F987 HydrophobicContact CG-CG 4.2Å; E848-F987 HydrophobicContact CG-CZ 4.18Å; E848-F987 VanDerWaalsContact OE2-CD2 3.26Å; E848-F987 WeakPolarHBondContact OE2-CD2 3.22Å; E848-F987 WeakPolarHBondContact OE2-CE2 3.25Å |
| 849 | L | 91.3 | Very high | 89.5 | Confident | 11.75 Ų | 11.75 | 67.5 Ų | 67.5 | 6% | 0.062 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.8 | -33.2 | 179.2 | -156 | 79.4 | 0 | 0 | 0 | 111.7 | L659 H660 W663 M845 E846 K847 R853 | L659-L849 HydrophobicContact CB-CD2 4.3Å; L659-L849 HydrophobicContact CD2-CB 4.25Å; L659-L849 HydrophobicContact CD2-CD2 3.83Å; L659-L849 HydrophobicContact CD2-CG 3.8Å; L659-L849 HydrophobicContact CG-CD1 4.44Å; L659-L849 HydrophobicContact CG-CD2 4.05Å; L659-L849 HydrophobicContact CG-CG 4.12Å; H660-L849 HydrophobicContact CB-CD1 4.4Å; H660-L849 HydrophobicContact CB-CD2 4.03Å; W663-L849 HydrophobicContact CB-CD1 4.36Å; M845-L849 WeakPolarHBondContact O-CB 3.3Å; M845-L849 VanDerWaalsContact O-CG 3.23Å; M845-L849 WeakPolarHBondContact O-CG 3.48Å; M845-L849 PolarHBondContact O-N 3.1Å; E846-L849 PolarHBondContact O-N 3.04Å; K847-L849 VanDerWaalsContact C-N 3.33Å; K847-L849 PolarHBondContact O-N 3.26Å; L849-R853 VanDerWaalsContact CD2-NH2 3.29Å; L849-R853 VanDerWaalsContact O-CB 3.3Å; L849-R853 WeakPolarHBondContact O-CB 3.34Å; L849-R853 VanDerWaalsContact O-CD 3.31Å; L849-R853 WeakPolarHBondContact O-CD 3.33Å; L849-R853 WeakPolarHBondContact O-CG 3.36Å; L849-R853 PolarHBondContact O-N 3.27Å; L849-R853 VanDerWaalsContact O-N 3.16Å |
| 850 | Q | 91.5 | Very high | 88.4 | Confident | 117.75 Ų | 117.75 | 67.2 Ų | 67.2 | 55% | 0.55 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -72.2 | -41.2 | 175.5 | -170.6 | -177 | -12.6 | 0 | 0 | 111.8 | E846 K847 E848 R853 Q854 | E846-Q850 VanDerWaalsContact O-CB 3.26Å; E846-Q850 WeakPolarHBondContact O-CB 3.35Å; E846-Q850 PolarHBondContact O-N 3.23Å; K847-Q850 CarbonylContact O-C 3.29Å; K847-Q850 WeakPolarHBondContact O-CA 3.48Å; K847-Q850 WeakPolarHBondContact O-CB 3.17Å; K847-Q850 PolarHBondContact O-N 3.27Å; K847-Q850 VanDerWaalsContact O-N 3.16Å; E848-Q850 VanDerWaalsContact C-N 3.3Å; E848-Q850 PolarHBondContact O-N 3.13Å; Q850-R853 PolarHBondContact O-N 2.88Å; Q850-Q854 WeakPolarHBondContact O-CB 3.29Å; Q850-Q854 VanDerWaalsContact O-CG 3.28Å; Q850-Q854 WeakPolarHBondContact O-CG 3.36Å; Q850-Q854 PolarHBondContact O-N 3.02Å; Q850-Q854 PolarHBondContact O-NE2 3.19Å |
| 851 | E | 90.7 | Very high | 87.2 | Confident | 84.75 Ų | 84.75 | 72 Ų | 72 | 40% | 0.396 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.6 | -50 | 175.4 | -73.7 | 176.3 | 174.6 | 0 | 0 | 110.7 | K847 E848 R853 Q854 E855 | K847-E851 WeakPolarHBondContact CE-OE1 3.28Å; K847-E851 VanDerWaalsContact CE-OE2 3.22Å; K847-E851 WeakPolarHBondContact CE-OE2 3.31Å; K847-E851 IonicContact NZ-OE1 3.44Å; K847-E851 PolarHBondContact NZ-OE1 3.45Å; K847-E851 IonicContact NZ-OE2 3.72Å; K847-E851 WeakPolarHBondContact O-CG 3.44Å; K847-E851 PolarHBondContact O-N 2.95Å; E848-E851 PolarHBondContact O-N 3.18Å; E851-R853 VanDerWaalsContact C-N 3.3Å; E851-R853 PolarHBondContact O-N 3.32Å; E851-Q854 WeakPolarHBondContact O-CB 3.31Å; E851-Q854 PolarHBondContact O-N 3.14Å; E851-Q854 VanDerWaalsContact O-N 3.11Å; E851-E855 WeakPolarHBondContact O-CB 3.27Å; E851-E855 PolarHBondContact O-N 3.07Å |
| 852 | F | 89.9 | Confident | 85.7 | Confident | 12.25 Ų | 12.25 | 74 Ų | 74 | 5% | 0.054 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58 | -40.7 | 175.2 | 175.5 | -115.7 | 0 | 0 | 0 | 112.6 | E655 E848 R856 V980 W982 | E655-F852 WeakPolarHBondContact O-CE1 3.39Å; E848-F852 WeakPolarHBondContact O-CB 3.42Å; E848-F852 PolarHBondContact O-N 3.22Å; F852-R856 VanDerWaalsContact O-CB 3.28Å; F852-R856 WeakPolarHBondContact O-CB 3.46Å; F852-R856 PolarHBondContact O-N 3.18Å; F852-V980 HydrophobicContact CD2-CG1 4.42Å; F852-V980 HydrophobicContact CE2-CG1 3.95Å; F852-W982 HydrophobicContact CD1-CB 4.46Å; F852-W982 HydrophobicContact CD2-CB 3.84Å; F852-W982 HydrophobicContact CD2-CG 4.34Å; F852-W982 HydrophobicContact CE1-CB 4.34Å; F852-W982 HydrophobicContact CE2-CB 3.68Å; F852-W982 VanDerWaalsContact CE2-N 3.34Å; F852-W982 HydrophobicContact CG-CB 4.25Å; F852-W982 HydrophobicContact CG-CG 4.42Å; F852-W982 HydrophobicContact CZ-CB 3.94Å |
| 853 | R | 85.3 | Confident | 84.1 | Confident | 85.5 Ų | 85.5 | 77.2 Ų | 77.2 | 32% | 0.323 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 175.5 | -77.5 | 168.9 | -171.5 | 176 | 4.8 | 112.1 | L619 H660 L849 Q850 E851 R856 N857 | L619-R853 HydrophobicContact CD1-CG 3.84Å; L619-R853 VanDerWaalsContact CD2-CZ 3.48Å; L619-R853 VanDerWaalsContact CD2-NH2 3.32Å; H660-R853 PolarHBondContact ND1-NH2 3.36Å; L849-R853 VanDerWaalsContact CD2-NH2 3.29Å; L849-R853 VanDerWaalsContact O-CB 3.3Å; L849-R853 WeakPolarHBondContact O-CB 3.34Å; L849-R853 VanDerWaalsContact O-CD 3.31Å; L849-R853 WeakPolarHBondContact O-CD 3.33Å; L849-R853 WeakPolarHBondContact O-CG 3.36Å; L849-R853 PolarHBondContact O-N 3.27Å; L849-R853 VanDerWaalsContact O-N 3.16Å; Q850-R853 PolarHBondContact O-N 2.88Å; E851-R853 VanDerWaalsContact C-N 3.3Å; E851-R853 PolarHBondContact O-N 3.32Å; R853-R856 PolarHBondContact O-N 3.45Å; R853-N857 VanDerWaalsContact O-CB 3.29Å; R853-N857 WeakPolarHBondContact O-CB 3.38Å; R853-N857 PolarHBondContact O-N 3.13Å; R853-N857 PolarHBondContact O-ND2 3.34Å; R853-N857 PolarHBondContact O-OD1 3.21Å |
| 854 | Q | 86.4 | Confident | 82.2 | Confident | 112.5 Ų | 112.5 | 75.6 Ų | 75.6 | 53% | 0.526 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.5 | -50.1 | 178 | -77.2 | 173.7 | 68.3 | 0 | 0 | 110.8 | Q850 E851 R856 N857 Y858 | Q850-Q854 WeakPolarHBondContact O-CB 3.29Å; Q850-Q854 VanDerWaalsContact O-CG 3.28Å; Q850-Q854 WeakPolarHBondContact O-CG 3.36Å; Q850-Q854 PolarHBondContact O-N 3.02Å; Q850-Q854 PolarHBondContact O-NE2 3.19Å; E851-Q854 WeakPolarHBondContact O-CB 3.31Å; E851-Q854 PolarHBondContact O-N 3.14Å; E851-Q854 VanDerWaalsContact O-N 3.11Å; Q854-R856 VanDerWaalsContact C-N 3.32Å; Q854-R856 PolarHBondContact O-N 3.33Å; Q854-N857 PolarHBondContact O-N 3.06Å; Q854-Y858 VanDerWaalsContact O-CB 3.29Å; Q854-Y858 WeakPolarHBondContact O-CB 3.35Å; Q854-Y858 PolarHBondContact O-N 3.07Å |
| 855 | E | 84.9 | Confident | 80.2 | Confident | 109 Ų | 109 | 81.5 Ų | 81.5 | 51% | 0.509 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.7 | -47 | 177.7 | -87.5 | 168.2 | 176 | 0 | 0 | 111.4 | E851 N857 Y858 F859 | E851-E855 WeakPolarHBondContact O-CB 3.27Å; E851-E855 PolarHBondContact O-N 3.07Å; E855-N857 VanDerWaalsContact C-N 3.31Å; E855-N857 PolarHBondContact O-N 3.13Å; E855-Y858 WeakPolarHBondContact O-CB 3.37Å; E855-Y858 PolarHBondContact O-N 3.28Å; E855-Y858 VanDerWaalsContact O-N 3.12Å; E855-F859 HydrophobicContact CG-CD2 3.97Å; E855-F859 HydrophobicContact CG-CE2 3.8Å; E855-F859 VanDerWaalsContact O-CD2 3.27Å; E855-F859 WeakPolarHBondContact O-CD2 3.43Å; E855-F859 PolarHBondContact O-N 3.04Å; E855-F859 VanDerWaalsContact OE1-CE2 3.25Å; E855-F859 WeakPolarHBondContact OE1-CE2 3.41Å |
| 856 | R | 82.9 | Confident | 78.1 | Confident | 28 Ų | 28 | 87.6 Ų | 87.6 | 11% | 0.106 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61 | -39.4 | 178.4 | -169.8 | -170.2 | 70.8 | 172.3 | 0.9 | 112.6 | R616 F852 R853 Q854 A860 V980 | R616-R856 VanDerWaalsContact CD-NH1 3.34Å; F852-R856 VanDerWaalsContact O-CB 3.28Å; F852-R856 WeakPolarHBondContact O-CB 3.46Å; F852-R856 PolarHBondContact O-N 3.18Å; R853-R856 PolarHBondContact O-N 3.45Å; Q854-R856 VanDerWaalsContact C-N 3.32Å; Q854-R856 PolarHBondContact O-N 3.33Å; R856-A860 VanDerWaalsContact O-CB 3.28Å; R856-A860 WeakPolarHBondContact O-CB 3.39Å; R856-A860 PolarHBondContact O-N 3.15Å; R856-A860 VanDerWaalsContact O-N 3.11Å; R856-V980 HydrophobicContact CB-CB 4.44Å; R856-V980 HydrophobicContact CB-CG1 4.35Å; R856-V980 HydrophobicContact CG-CB 4.32Å |
| 857 | N | 78.7 | Confident | 76 | Confident | 80 Ų | 80 | 86.8 Ų | 86.8 | 43% | 0.428 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -71.1 | -38.5 | 177 | -69.5 | -11.2 | 0 | 0 | 0 | 111.4 | R853 Q854 E855 A860 Q861 | R853-N857 VanDerWaalsContact O-CB 3.29Å; R853-N857 WeakPolarHBondContact O-CB 3.38Å; R853-N857 PolarHBondContact O-N 3.13Å; R853-N857 PolarHBondContact O-ND2 3.34Å; R853-N857 PolarHBondContact O-OD1 3.21Å; Q854-N857 PolarHBondContact O-N 3.06Å; E855-N857 VanDerWaalsContact C-N 3.31Å; E855-N857 PolarHBondContact O-N 3.13Å; N857-A860 PolarHBondContact O-N 2.97Å; N857-Q861 WeakPolarHBondContact O-CB 3.39Å; N857-Q861 VanDerWaalsContact O-CG 3.31Å; N857-Q861 WeakPolarHBondContact O-CG 3.39Å; N857-Q861 PolarHBondContact O-N 3.18Å |
| 858 | Y | 79.2 | Confident | 73.5 | Confident | 147.75 Ų | 147.75 | 87.2 Ų | 87.2 | 58% | 0.579 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60.5 | -50.5 | 175.3 | 177.3 | -99.8 | 0 | 0 | 0 | 111.5 | Q854 E855 A860 Q861 S862 | Q854-Y858 VanDerWaalsContact O-CB 3.29Å; Q854-Y858 WeakPolarHBondContact O-CB 3.35Å; Q854-Y858 PolarHBondContact O-N 3.07Å; E855-Y858 WeakPolarHBondContact O-CB 3.37Å; E855-Y858 PolarHBondContact O-N 3.28Å; E855-Y858 VanDerWaalsContact O-N 3.12Å; Y858-A860 VanDerWaalsContact C-N 3.28Å; Y858-A860 PolarHBondContact O-N 3.18Å; Y858-Q861 PolarHBondContact O-N 3.2Å; Y858-Q861 VanDerWaalsContact O-N 3.14Å; Y858-S862 WeakPolarHBondContact O-CB 3.31Å; Y858-S862 PolarHBondContact O-N 3.19Å; Y858-S862 PolarHBondContact O-OG 3.3Å |
| 859 | F | 75.6 | Confident | 70.9 | Confident | 105.75 Ų | 105.75 | 91.4 Ų | 91.4 | 46% | 0.464 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.8 | -33.2 | 175.6 | -83.8 | -75.5 | 0 | 0 | 0 | 113.2 | E855 Q861 R863 V980 | E855-F859 HydrophobicContact CG-CD2 3.97Å; E855-F859 HydrophobicContact CG-CE2 3.8Å; E855-F859 VanDerWaalsContact O-CD2 3.27Å; E855-F859 WeakPolarHBondContact O-CD2 3.43Å; E855-F859 PolarHBondContact O-N 3.04Å; E855-F859 VanDerWaalsContact OE1-CE2 3.25Å; E855-F859 WeakPolarHBondContact OE1-CE2 3.41Å; F859-Q861 VanDerWaalsContact C-N 3.34Å; F859-R863 WeakPolarHBondContact O-CG 3.45Å; F859-R863 PolarHBondContact O-N 2.85Å; F859-V980 HydrophobicContact CB-CG2 3.52Å; F859-V980 VanDerWaalsContact CB-CG2 3.47Å; F859-V980 HydrophobicContact CD1-CG2 4.4Å; F859-V980 HydrophobicContact CD2-CG2 3.55Å; F859-V980 VanDerWaalsContact CD2-CG2 3.48Å; F859-V980 HydrophobicContact CE2-CG2 4.36Å; F859-V980 HydrophobicContact CG-CG2 3.61Å |
| 860 | A | 70.6 | Confident | 68.4 | Low | 42 Ų | 42 | 95.6 Ų | 95.6 | 35% | 0.347 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.9 | -34.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R856 N857 Y858 L864 Q976 | R856-A860 VanDerWaalsContact O-CB 3.28Å; R856-A860 WeakPolarHBondContact O-CB 3.39Å; R856-A860 PolarHBondContact O-N 3.15Å; R856-A860 VanDerWaalsContact O-N 3.11Å; N857-A860 PolarHBondContact O-N 2.97Å; Y858-A860 VanDerWaalsContact C-N 3.28Å; Y858-A860 PolarHBondContact O-N 3.18Å; A860-L864 WeakPolarHBondContact O-CG 3.07Å; A860-Q976 HydrophobicContact CB-CB 4.27Å; A860-Q976 HydrophobicContact CB-CG 4.19Å |
| 861 | Q | 68.6 | Low | 65.8 | Low | 125.5 Ų | 125.5 | 97.8 Ų | 97.8 | 59% | 0.586 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -78.6 | -46.9 | 178.3 | -73.7 | 175.3 | -4.4 | 0 | 0 | 112.5 | N857 Y858 F859 R863 L864 E865 | N857-Q861 WeakPolarHBondContact O-CB 3.39Å; N857-Q861 VanDerWaalsContact O-CG 3.31Å; N857-Q861 WeakPolarHBondContact O-CG 3.39Å; N857-Q861 PolarHBondContact O-N 3.18Å; Y858-Q861 PolarHBondContact O-N 3.2Å; Y858-Q861 VanDerWaalsContact O-N 3.14Å; F859-Q861 VanDerWaalsContact C-N 3.34Å; Q861-R863 PolarHBondContact O-N 2.95Å; Q861-R863 VanDerWaalsContact O-N 3.12Å; Q861-L864 WeakPolarHBondContact O-CA 3.36Å; Q861-L864 VanDerWaalsContact O-CB 3.32Å; Q861-L864 WeakPolarHBondContact O-CB 3.46Å; Q861-L864 PolarHBondContact O-N 3.18Å; Q861-E865 PolarHBondContact O-N 3.23Å |
| 862 | S | 63.1 | Low | 63.2 | Low | 42.25 Ų | 42.25 | 103 Ų | 103 | 30% | 0.295 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.9 | -31.3 | -179 | -138.6 | 0 | 0 | 0 | 0 | 113.1 | Y858 E865 E866 | Y858-S862 WeakPolarHBondContact O-CB 3.31Å; Y858-S862 PolarHBondContact O-N 3.19Å; Y858-S862 PolarHBondContact O-OG 3.3Å; S862-E865 PolarHBondContact O-N 3.49Å; S862-E866 PolarHBondContact O-N 3.05Å |
| 863 | R | 60.5 | Low | 60.5 | Low | 114 Ų | 114 | 108.8 Ų | 108.8 | 43% | 0.43 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -78.9 | -22.6 | 174.7 | -78.9 | -113.6 | -158.1 | -172 | 5.8 | 114.7 | F859 Q861 E865 E866 S867 S978 L979 | F859-R863 WeakPolarHBondContact O-CG 3.45Å; F859-R863 PolarHBondContact O-N 2.85Å; Q861-R863 PolarHBondContact O-N 2.95Å; Q861-R863 VanDerWaalsContact O-N 3.12Å; R863-E865 VanDerWaalsContact C-N 3.35Å; R863-E865 PolarHBondContact O-N 3.09Å; R863-E866 WeakPolarHBondContact CD-OE2 3.38Å; R863-E866 IonicContact CZ-OE2 3.55Å; R863-E866 IonicContact NE-OE2 3.83Å; R863-E866 IonicContact NH1-OE2 3.08Å; R863-E866 PolarHBondContact NH1-OE2 2.8Å; R863-E866 PolarHBondContact O-N 2.65Å; R863-S867 PolarHBondContact O-N 3.17Å; R863-S867 PolarHBondContact O-OG 3.18Å; R863-S867 VanDerWaalsContact O-OG 3.1Å; R863-S978 PolarHBondContact NH1-OG 3.41Å; R863-L979 HydrophobicContact CG-CD1 4.05Å |
| 864 | L | 55.2 | Low | 58 | Low | 90.25 Ų | 90.25 | 115.8 Ų | 115.8 | 47% | 0.473 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67 | -37.3 | 171.7 | -71.6 | 168.7 | 0 | 0 | 0 | 109.8 | A860 Q861 E866 S867 D868 H972 | A860-L864 WeakPolarHBondContact O-CG 3.07Å; Q861-L864 WeakPolarHBondContact O-CA 3.36Å; Q861-L864 VanDerWaalsContact O-CB 3.32Å; Q861-L864 WeakPolarHBondContact O-CB 3.46Å; Q861-L864 PolarHBondContact O-N 3.18Å; L864-E866 VanDerWaalsContact C-N 3.29Å; L864-E866 PolarHBondContact O-N 2.84Å; L864-S867 WeakPolarHBondContact CA-OG 3.3Å; L864-S867 CarbonylContact O-C 3.52Å; L864-S867 WeakPolarHBondContact O-CA 3.48Å; L864-S867 PolarHBondContact O-N 3.28Å; L864-S867 PolarHBondContact O-OG 3.34Å; L864-D868 WeakPolarHBondContact O-CB 3.39Å; L864-D868 PolarHBondContact O-N 3.31Å; L864-H972 WeakPolarHBondContact CD2-CE1 3.28Å; L864-H972 WeakPolarHBondContact CD2-ND1 3.49Å |
| 865 | E | 52.2 | Low | 55.2 | Low | 156.25 Ų | 156.25 | 115.6 Ų | 115.6 | 73% | 0.73 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.3 | -35.1 | 175.4 | -62.8 | -179.7 | 169.4 | 0 | 0 | 112.9 | Q861 S862 R863 S867 D868 | Q861-E865 PolarHBondContact O-N 3.23Å; S862-E865 PolarHBondContact O-N 3.49Å; R863-E865 VanDerWaalsContact C-N 3.35Å; R863-E865 PolarHBondContact O-N 3.09Å; E865-S867 VanDerWaalsContact C-N 3.33Å; E865-D868 PolarHBondContact O-N 3.5Å |
| 866 | E | 51.4 | Low | 52.5 | Low | 129.25 Ų | 129.25 | 118.4 Ų | 118.4 | 60% | 0.604 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -73.7 | -26.9 | 174.7 | -76.7 | -173 | 161.3 | 0 | 0 | 113.7 | S862 R863 L864 D868 | S862-E866 PolarHBondContact O-N 3.05Å; R863-E866 WeakPolarHBondContact CD-OE2 3.38Å; R863-E866 IonicContact CZ-OE2 3.55Å; R863-E866 IonicContact NE-OE2 3.83Å; R863-E866 IonicContact NH1-OE2 3.08Å; R863-E866 PolarHBondContact NH1-OE2 2.8Å; R863-E866 PolarHBondContact O-N 2.65Å; L864-E866 VanDerWaalsContact C-N 3.29Å; L864-E866 PolarHBondContact O-N 2.84Å; E866-D868 VanDerWaalsContact C-N 3.32Å; E866-D868 PolarHBondContact O-N 2.91Å; E866-D868 VanDerWaalsContact O-N 3.09Å |
| 867 | S | 49.1 | Very low | 50 | Low | 60.5 Ų | 60.5 | 122.8 Ų | 122.8 | 42% | 0.423 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -85 | 5.4 | -178 | 60 | 0 | 0 | 0 | 0 | 113.7 | R863 L864 E865 I869 | R863-S867 PolarHBondContact O-N 3.17Å; R863-S867 PolarHBondContact O-OG 3.18Å; R863-S867 VanDerWaalsContact O-OG 3.1Å; L864-S867 WeakPolarHBondContact CA-OG 3.3Å; L864-S867 CarbonylContact O-C 3.52Å; L864-S867 WeakPolarHBondContact O-CA 3.48Å; L864-S867 PolarHBondContact O-N 3.28Å; L864-S867 PolarHBondContact O-OG 3.34Å; E865-S867 VanDerWaalsContact C-N 3.33Å; S867-I869 PolarHBondContact O-N 3.12Å; S867-I869 VanDerWaalsContact O-N 3.1Å |
| 868 | D | 42.1 | Very low | 47.6 | Very low | 132.75 Ų | 132.75 | 125.8 Ų | 125.8 | 71% | 0.71 | 64% | 0.642 | S | S | * | * | trans | -82 | 32.4 | 172.4 | -73.8 | -25.2 | 0 | 0 | 0 | 112.3 | L864 E865 E866 P870 | L864-D868 WeakPolarHBondContact O-CB 3.39Å; L864-D868 PolarHBondContact O-N 3.31Å; E865-D868 PolarHBondContact O-N 3.5Å; E866-D868 VanDerWaalsContact C-N 3.32Å; E866-D868 PolarHBondContact O-N 2.91Å; E866-D868 VanDerWaalsContact O-N 3.09Å; D868-P870 VanDerWaalsContact O-CD 3.22Å; D868-P870 WeakPolarHBondContact O-CD 3.35Å; D868-P870 WeakPolarHBondContact O-CG 3.12Å; D868-P870 VanDerWaalsContact O-N 3.14Å | ||
| 869 | I | 39.4 | Very low | 45.3 | Very low | 130.75 Ų | 130.75 | 122.2 Ų | 122.2 | 67% | 0.671 | 65% | 0.649 | S | S | * | * | trans | -73.5 | 109.5 | 161 | -59.5 | 172.1 | 0 | 0 | 0 | 106.1 | S867 D871 | S867-I869 PolarHBondContact O-N 3.12Å; S867-I869 VanDerWaalsContact O-N 3.1Å; I869-D871 PolarHBondContact O-N 3.04Å; I869-D871 VanDerWaalsContact O-N 3.07Å | ||
| 870 | P | 39.2 | Very low | 43 | Very low | 101 Ų | 101 | 124.2 Ų | 124.2 | 66% | 0.656 | 67% | 0.67 | S | S | * | * | trans | -70.6 | 136.6 | -174.8 | -2.3 | 15.1 | 0 | 0 | 0 | 109.3 | D868 F872 | D868-P870 VanDerWaalsContact O-CD 3.22Å; D868-P870 WeakPolarHBondContact O-CD 3.35Å; D868-P870 WeakPolarHBondContact O-CG 3.12Å; D868-P870 VanDerWaalsContact O-N 3.14Å; P870-F872 VanDerWaalsContact C-N 3.29Å; P870-F872 HydrophobicContact CB-CD2 4.22Å; P870-F872 PolarHBondContact O-N 3.03Å | ||
| 871 | D | 37.4 | Very low | 41 | Very low | 163 Ų | 163 | 125.6 Ų | 125.6 | 87% | 0.872 | 69% | 0.689 | S | S | * | * | trans | -50.3 | 107.3 | 164.9 | -94.4 | -38.5 | 0 | 0 | 0 | 109.3 | I869 D873 R874 | I869-D871 PolarHBondContact O-N 3.04Å; I869-D871 VanDerWaalsContact O-N 3.07Å; D871-D873 PolarHBondContact O-N 3.04Å; D871-R874 PolarHBondContact O-N 3.09Å | ||
| 872 | F | 36.1 | Very low | 39 | Very low | 193.75 Ų | 193.75 | 128.5 Ų | 128.5 | 85% | 0.85 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -66.1 | 78.2 | -179.7 | -137.2 | -85.1 | 0 | 0 | 0 | 111.2 | P870 R874 | P870-F872 VanDerWaalsContact C-N 3.29Å; P870-F872 HydrophobicContact CB-CD2 4.22Å; P870-F872 PolarHBondContact O-N 3.03Å; F872-R874 VanDerWaalsContact C-N 3.28Å; F872-R874 PolarHBondContact O-N 2.92Å |
| 873 | D | 33.2 | Very low | 37.3 | Very low | 134.75 Ų | 134.75 | 132.5 Ų | 132.5 | 72% | 0.721 | 73% | 0.728 | S | S | * | * | trans | 8 | 66 | 169 | -129.5 | -7.6 | 0 | 0 | 0 | 115.2 | D871 S875 | D871-D873 PolarHBondContact O-N 3.04Å; D873-S875 VanDerWaalsContact CG-OG 3.31Å; D873-S875 PolarHBondContact O-N 3.23Å; D873-S875 WeakPolarHBondContact OD1-CB 3.28Å; D873-S875 PolarHBondContact OD1-OG 3.19Å | ||
| 874 | R | 31.9 | Very low | 35.7 | Very low | 233.5 Ų | 233.5 | 135 Ų | 135 | 88% | 0.881 | 74% | 0.744 | S | S | * | * | trans | -133.8 | 80.8 | 155.4 | -93.5 | 176.8 | -175.3 | -144.8 | 2.4 | 111.2 | D871 F872 E876 | D871-R874 PolarHBondContact O-N 3.09Å; F872-R874 VanDerWaalsContact C-N 3.28Å; F872-R874 PolarHBondContact O-N 2.92Å; R874-E876 VanDerWaalsContact C-N 3.3Å; R874-E876 PolarHBondContact O-N 3.15Å; R874-E876 VanDerWaalsContact O-N 3.14Å | ||
| 875 | S | 28.4 | Very low | 34.3 | Very low | 106.75 Ų | 106.75 | 140.9 Ų | 140.9 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | trans | -84.3 | 75.7 | 159.7 | 55.9 | 0 | 0 | 0 | 0 | 110.6 | D873 | D873-S875 VanDerWaalsContact CG-OG 3.31Å; D873-S875 PolarHBondContact O-N 3.23Å; D873-S875 WeakPolarHBondContact OD1-CB 3.28Å; D873-S875 PolarHBondContact OD1-OG 3.19Å | ||
| 876 | E | 28.5 | Very low | 32.9 | Very low | 169.25 Ų | 169.25 | 141.2 Ų | 141.2 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | -107.6 | 136.8 | 159.7 | -77.9 | -162 | 163.6 | 0 | 0 | 110.7 | R874 V878 | R874-E876 VanDerWaalsContact C-N 3.3Å; R874-E876 PolarHBondContact O-N 3.15Å; R874-E876 VanDerWaalsContact O-N 3.14Å; E876-V878 PolarHBondContact O-N 2.82Å | ||
| 877 | P | 29.8 | Very low | 31.6 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -87.4 | 136.6 | -165.7 | 33.5 | -32.1 | 0 | 0 | 0 | 112.1 | G879 | P877-G879 PolarHBondContact O-N 3.19Å; P877-G879 VanDerWaalsContact O-N 3.08Å | ||
| 878 | V | 28.1 | Very low | 30.5 | Very low | 144.75 Ų | 144.75 | 146.5 Ų | 146.5 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | 11.9 | 94.4 | 163.8 | -172.7 | 0 | 0 | 0 | 0 | 113.5 | E876 | E876-V878 PolarHBondContact O-N 2.82Š| ||
| 879 | G | 30.1 | Very low | 29.8 | Very low | 71 Ų | 71 | 148.2 Ų | 148.2 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | -103.1 | 113.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | P877 G881 | P877-G879 PolarHBondContact O-N 3.19Å; P877-G879 VanDerWaalsContact O-N 3.08Å; G879-G881 PolarHBondContact O-N 3.17Å | ||
| 880 | T | 27.8 | Very low | 29.1 | Very low | 147.25 Ų | 147.25 | 145 Ų | 145 | 90% | 0.903 | 80% | 0.797 | S | S | * | * | trans | -67.4 | 117.6 | 175.9 | 49.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 881 | G | 28.6 | Very low | 28.4 | Very low | 71.75 Ų | 71.75 | 148.3 Ų | 148.3 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | trans | 160.9 | 119.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G879 | G879-G881 PolarHBondContact O-N 3.17Š| ||
| 882 | Q | 26.1 | Very low | 27.9 | Very low | 185.75 Ų | 185.75 | 148 Ų | 148 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | trans | 38.9 | 146 | 160.5 | -72.3 | 178.3 | -36.1 | 0 | 0 | 116.1 | E884 | Q882-E884 PolarHBondContact O-N 3.13Š| ||
| 883 | P | 27.7 | Very low | 27.4 | Very low | 127.75 Ų | 127.75 | 142.1 Ų | 142.1 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | -87.5 | 120.9 | -178.1 | 34.5 | -30.9 | 0 | 0 | 0 | 111.6 | R885 | P883-R885 PolarHBondContact O-N 2.84Š| ||
| 884 | E | 26.7 | Very low | 27.1 | Very low | 165.5 Ų | 165.5 | 144.8 Ų | 144.8 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -91.4 | 122.4 | 171.3 | -73 | -153.9 | 132.4 | 0 | 0 | 113.7 | Q882 I886 | Q882-E884 PolarHBondContact O-N 3.13Å; E884-I886 PolarHBondContact O-N 3.31Å | ||
| 885 | R | 25.3 | Very low | 26.8 | Very low | 213.75 Ų | 213.75 | 138.5 Ų | 138.5 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | trans | 6.3 | 105.1 | 153.7 | -74.6 | 178.6 | -120.1 | -144.3 | 0.7 | 115.3 | P883 F887 | P883-R885 PolarHBondContact O-N 2.84Å; R885-F887 HydrophobicContact CB-CE2 4.24Å; R885-F887 PolarHBondContact O-N 3.2Å | ||
| 886 | I | 24.5 | Very low | 26.7 | Very low | 163.75 Ų | 163.75 | 142.1 Ų | 142.1 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -66.3 | 121.5 | 159.3 | -63.7 | 163.7 | 0 | 0 | 0 | 108.3 | E884 P888 | E884-I886 PolarHBondContact O-N 3.31Å; I886-P888 WeakPolarHBondContact O-CD 3.24Å | ||
| 887 | F | 23.6 | Very low | 26.6 | Very low | 184.25 Ų | 184.25 | 139.3 Ų | 139.3 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | trans | -84.9 | 128.4 | 166.1 | -83.4 | -86.7 | 0 | 0 | 0 | 110.3 | R885 I889 | R885-F887 HydrophobicContact CB-CE2 4.24Å; R885-F887 PolarHBondContact O-N 3.2Å; F887-I889 PolarHBondContact O-N 3.05Å | ||
| 888 | P | 26.6 | Very low | 26.4 | Very low | 115.5 Ų | 115.5 | 139.9 Ų | 139.9 | 75% | 0.75 | 81% | 0.808 | S | S | * | * | trans | -84 | 127.3 | -178.3 | 16.1 | -4.1 | 0 | 0 | 0 | 110.6 | I886 G890 | I886-P888 WeakPolarHBondContact O-CD 3.24Å; P888-G890 PolarHBondContact O-N 2.93Å; P888-G890 VanDerWaalsContact O-N 3.11Å | ||
| 889 | I | 26.3 | Very low | 26.4 | Very low | 168.5 Ų | 168.5 | 138.8 Ų | 138.8 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -69.4 | 112.7 | 170.6 | -66.8 | 168.5 | 0 | 0 | 0 | 108 | F887 L891 | F887-I889 PolarHBondContact O-N 3.05Å; I889-L891 PolarHBondContact O-N 3.1Å | ||
| 890 | G | 24.8 | Very low | 26.1 | Very low | 63.75 Ų | 63.75 | 142.6 Ų | 142.6 | 66% | 0.657 | 81% | 0.807 | S | S | * | * | trans | -83.9 | 106.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P888 I892 | P888-G890 PolarHBondContact O-N 2.93Å; P888-G890 VanDerWaalsContact O-N 3.11Å; G890-I892 VanDerWaalsContact C-N 3.26Å; G890-I892 PolarHBondContact O-N 3.1Å | ||
| 891 | L | 24.5 | Very low | 25.9 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | trans | -44.4 | 112.1 | 156.2 | -83.9 | 156.9 | 0 | 0 | 0 | 113.3 | I889 G893 | I889-L891 PolarHBondContact O-N 3.1Å; L891-G893 PolarHBondContact O-N 3.45Å; L891-G893 VanDerWaalsContact O-N 3.1Å | ||
| 892 | I | 27.7 | Very low | 25.8 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -83.8 | 106.1 | 168.4 | -61.2 | 166.4 | 0 | 0 | 0 | 109.5 | G890 K894 | G890-I892 VanDerWaalsContact C-N 3.26Å; G890-I892 PolarHBondContact O-N 3.1Å; I892-K894 HydrophobicContact CG2-CG 4.17Å; I892-K894 PolarHBondContact O-N 3.02Å | ||
| 893 | G | 25.9 | Very low | 25.8 | Very low | 69.5 Ų | 69.5 | 142.2 Ų | 142.2 | 72% | 0.716 | 79% | 0.794 | S | S | * | * | trans | -81.3 | 120.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L891 A895 | L891-G893 PolarHBondContact O-N 3.45Å; L891-G893 VanDerWaalsContact O-N 3.1Å; G893-A895 PolarHBondContact O-N 2.94Å | ||
| 894 | K | 26.1 | Very low | 25.8 | Very low | 191.5 Ų | 191.5 | 143.2 Ų | 143.2 | 83% | 0.833 | 79% | 0.793 | S | S | * | * | trans | -57.2 | 102.8 | 160.8 | -73.7 | -179.1 | 176.1 | 179.7 | 0 | 112.3 | I892 Q896 | I892-K894 HydrophobicContact CG2-CG 4.17Å; I892-K894 PolarHBondContact O-N 3.02Å; K894-Q896 PolarHBondContact O-N 2.92Å | ||
| 895 | A | 25.3 | Very low | 25.8 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -83.1 | 120.4 | 139.2 | 0 | 0 | 0 | 0 | 0 | 110 | G893 | G893-A895 PolarHBondContact O-N 2.94Š| ||
| 896 | Q | 26.9 | Very low | 25.9 | Very low | 181.75 Ų | 181.75 | 138.3 Ų | 138.3 | 85% | 0.849 | 79% | 0.791 | S | S | * | * | trans | -112.1 | 120.9 | 169.5 | -71.1 | 179.5 | -33.7 | 0 | 0 | 110 | K894 | K894-Q896 PolarHBondContact O-N 2.92Š| ||
| 897 | S | 25.8 | Very low | 26 | Very low | 111.25 Ų | 111.25 | 138.6 Ų | 138.6 | 78% | 0.778 | 79% | 0.79 | S | S | * | * | trans | -149 | 120.3 | 148.1 | 49.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 898 | T | 26 | Very low | 26.1 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -91.2 | 148.3 | 146.3 | 40.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 899 | P | 27.4 | Very low | 26.1 | Very low | 121 Ų | 121 | 139 Ų | 139 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | -98.5 | 151.1 | 175.2 | 33.1 | -28.8 | 0 | 0 | 0 | 113.7 | ||||
| 900 | N | 23.9 | Very low | 26.1 | Very low | 150.5 Ų | 150.5 | 137.8 Ų | 137.8 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | trans | -59.4 | 129.1 | 167.5 | -92.3 | -8.8 | 0 | 0 | 0 | 112.9 | ||||
| 901 | I | 25.2 | Very low | 26.2 | Very low | 163.75 Ų | 163.75 | 139.8 Ų | 139.8 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -136 | 122.3 | 151.9 | -68.5 | 162.1 | 0 | 0 | 0 | 108 | ||||
| 902 | S | 25.3 | Very low | 26.3 | Very low | 91.5 Ų | 91.5 | 140.1 Ų | 140.1 | 64% | 0.64 | 79% | 0.785 | S | S | * | * | trans | -126.7 | 137.9 | 168.7 | 49.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 903 | D | 26.7 | Very low | 26.1 | Very low | 141.5 Ų | 141.5 | 140.6 Ų | 140.6 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | trans | 176 | 126.7 | 137 | -78.8 | -29.6 | 0 | 0 | 0 | 112.7 | ||||
| 904 | N | 26.5 | Very low | 26.1 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -51.8 | 132.8 | 158.1 | -72.6 | -41.5 | 0 | 0 | 0 | 111.7 | ||||
| 905 | V | 27.4 | Very low | 26.1 | Very low | 127.25 Ų | 127.25 | 139.3 Ų | 139.3 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | -153.6 | 124.2 | 91 | 171.9 | 0 | 0 | 0 | 0 | 109.1 | M907 | V905-M907 HydrophobicContact CG1-CG 4.11Š| |||
| 906 | I | 26.6 | Very low | 26.2 | Very low | 149.75 Ų | 149.75 | 143.1 Ų | 143.1 | 77% | 0.768 | 79% | 0.79 | S | S | * | * | trans | -87.8 | 117.1 | 169.9 | -58.1 | 173.2 | 0 | 0 | 0 | 110.3 | N908 | I906-N908 HydrophobicContact CG2-CB 4.26Š| ||
| 907 | M | 27.6 | Very low | 26.1 | Very low | 168.75 Ų | 168.75 | 140.5 Ų | 140.5 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | trans | -110.7 | 122.9 | 159.8 | -80.9 | -91.5 | 178.4 | 0 | 0 | 109.3 | V905 | V905-M907 HydrophobicContact CG1-CG 4.11Š| ||
| 908 | N | 26.1 | Very low | 26.1 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -103.8 | 105.4 | 172.1 | -143 | 16.3 | 0 | 0 | 0 | 109.4 | I906 | I906-N908 HydrophobicContact CG2-CB 4.26Š| ||
| 909 | E | 25.3 | Very low | 26.2 | Very low | 176.75 Ų | 176.75 | 145.3 Ų | 145.3 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | -124.2 | 112.1 | 145.8 | -81.2 | -172.1 | 171.2 | 0 | 0 | 110.7 | ||||
| 910 | N | 26.3 | Very low | 26 | Very low | 141.25 Ų | 141.25 | 147.6 Ų | 147.6 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -111.8 | 127.5 | 150.2 | -81.5 | -46.6 | 0 | 0 | 0 | 110.7 | ||||
| 911 | S | 27.5 | Very low | 26.2 | Very low | 105.75 Ų | 105.75 | 148.8 Ų | 148.8 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | trans | -155.2 | 134.1 | 150.5 | 48.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 912 | Q | 26.5 | Very low | 26.1 | Very low | 179.75 Ų | 179.75 | 146.5 Ų | 146.5 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | 61.2 | 111.1 | 146.7 | -58.5 | 176.9 | 12.3 | 0 | 0 | 111.9 | ||||
| 913 | L | 23.4 | Very low | 26.3 | Very low | 167 Ų | 167 | 148.4 Ų | 148.4 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | 88.8 | 106.9 | 68.7 | -160 | 79.3 | 0 | 0 | 0 | 111.2 | |||||
| 914 | S | 26.8 | Very low | 26.2 | Very low | 111.75 Ų | 111.75 | 149.4 Ų | 149.4 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | -133.5 | 120.5 | 161.2 | 52.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 915 | T | 24.7 | Very low | 26.3 | Very low | 120.5 Ų | 120.5 | 149.5 Ų | 149.5 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | trans | -65.5 | 138.2 | 159.9 | 45.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 916 | M | 28 | Very low | 26.3 | Very low | 181.75 Ų | 181.75 | 150.4 Ų | 150.4 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | trans | -144.4 | 129.7 | 158.5 | -91.9 | -124 | 123.1 | 0 | 0 | 108.5 | ||||
| 917 | D | 24.6 | Very low | 26.4 | Very low | 127.5 Ų | 127.5 | 150 Ų | 150 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | trans | -102 | 165.1 | -156.9 | -90.8 | -48.8 | 0 | 0 | 0 | 111.6 | ||||
| 918 | H | 25.8 | Very low | 26.5 | Very low | 154.5 Ų | 154.5 | 151.3 Ų | 151.3 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | trans | 24.6 | 124.4 | 163.5 | -64.9 | -52 | 0 | 0 | 0 | 118.6 | ||||
| 919 | H | 28.8 | Very low | 26.5 | Very low | 188 Ų | 188 | 152 Ų | 152 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | -160.3 | 113.5 | 114.4 | -92.3 | -60 | 0 | 0 | 0 | 109.9 | |||||
| 920 | Q | 23.7 | Very low | 26.8 | Very low | 169.5 Ų | 169.5 | 150.2 Ų | 150.2 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -59.3 | 135.4 | 147.4 | -78.8 | 174.4 | -18.1 | 0 | 0 | 110.7 | ||||
| 921 | H | 27 | Very low | 26.8 | Very low | 176.75 Ų | 176.75 | 151.4 Ų | 151.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -145.4 | 104.6 | 156.8 | -119.2 | -71.9 | 0 | 0 | 0 | 111.6 | ||||
| 922 | T | 24.2 | Very low | 26.8 | Very low | 115.75 Ų | 115.75 | 153.9 Ų | 153.9 | 71% | 0.71 | 80% | 0.796 | S | S | * | * | trans | -70.7 | 136.4 | 160.4 | 40.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 923 | V | 28.4 | Very low | 26.8 | Very low | 130 Ų | 130 | 152 Ų | 152 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | trans | -156.3 | 110.3 | 156.9 | 178 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 924 | E | 24.9 | Very low | 26.9 | Very low | 162.5 Ų | 162.5 | 153.1 Ų | 153.1 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -11.1 | 130.4 | 136 | -72.2 | 176.6 | 149.4 | 0 | 0 | 111.9 | ||||
| 925 | N | 28.2 | Very low | 26.9 | Very low | 151.5 Ų | 151.5 | 152.8 Ų | 152.8 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | 158.5 | 118.4 | 150 | -76.5 | -29.4 | 0 | 0 | 0 | 109.4 | ||||
| 926 | D | 28.9 | Very low | 26.9 | Very low | 147.25 Ų | 147.25 | 156.2 Ų | 156.2 | 79% | 0.787 | 79% | 0.794 | S | S | * | * | trans | -120.8 | 140 | 142.5 | -82.9 | -36.5 | 0 | 0 | 0 | 110.4 | ||||
| 927 | D | 27.8 | Very low | 26.9 | Very low | 140.5 Ų | 140.5 | 155 Ų | 155 | 75% | 0.751 | 79% | 0.79 | S | S | * | * | trans | -118.1 | 137.8 | 158.8 | -92.7 | -25.8 | 0 | 0 | 0 | 112.3 | ||||
| 928 | K | 30.3 | Very low | 26.9 | Very low | 195.5 Ų | 195.5 | 157 Ų | 157 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -152.7 | 112 | 154.5 | -74.9 | -177.6 | 179.7 | 155.1 | 0 | 114.3 | ||||
| 929 | D | 26.3 | Very low | 27 | Very low | 147.75 Ų | 147.75 | 157.3 Ų | 157.3 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -59.4 | 136.5 | 161.9 | -74 | -61.2 | 0 | 0 | 0 | 113.2 | ||||
| 930 | V | 31.9 | Very low | 26.8 | Very low | 140 Ų | 140 | 153.1 Ų | 153.1 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -128.9 | 108 | 151.6 | 178.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 931 | Q | 24.4 | Very low | 26.9 | Very low | 166.75 Ų | 166.75 | 152.2 Ų | 152.2 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -74.3 | 140.8 | 173.4 | -70.3 | 173.7 | -6 | 0 | 0 | 111.6 | ||||
| 932 | L | 27.3 | Very low | 27.1 | Very low | 157.25 Ų | 157.25 | 151.2 Ų | 151.2 | 82% | 0.823 | 80% | 0.795 | S | S | * | * | trans | -149.9 | 112.9 | 156.9 | -128.8 | 93.5 | 0 | 0 | 0 | 113.3 | Q934 | L932-Q934 PolarHBondContact O-N 3.18Š| ||
| 933 | N | 26.4 | Very low | 27.2 | Very low | 140.25 Ų | 140.25 | 153.8 Ų | 153.8 | 75% | 0.75 | 80% | 0.799 | S | S | * | * | trans | -60.6 | 126.6 | 153.1 | -80.7 | -41.5 | 0 | 0 | 0 | 115.3 | ||||
| 934 | Q | 25.8 | Very low | 27.2 | Very low | 189.5 Ų | 189.5 | 155.6 Ų | 155.6 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | trans | -100.7 | 117.7 | 147.2 | -78.2 | 173.5 | 13.2 | 0 | 0 | 111.8 | L932 | L932-Q934 PolarHBondContact O-N 3.18Š| ||
| 935 | S | 26.9 | Very low | 27.3 | Very low | 105.75 Ų | 105.75 | 151.3 Ų | 151.3 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | trans | -123.7 | 130.2 | 152.8 | 65.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 936 | K | 25.6 | Very low | 27.2 | Very low | 192.25 Ų | 192.25 | 150.2 Ų | 150.2 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | 12.7 | 126.2 | 162 | -69.4 | 168 | 175.9 | 175.5 | 0 | 115.4 | ||||
| 937 | I | 27.8 | Very low | 27 | Very low | 155.75 Ų | 155.75 | 151.8 Ų | 151.8 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -173.3 | 114.6 | 131.5 | -66.2 | 171.7 | 0 | 0 | 0 | 109.8 | ||||
| 938 | Q | 24.5 | Very low | 26.9 | Very low | 170.5 Ų | 170.5 | 151 Ų | 151 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -18 | 128.4 | 138.9 | -90.8 | 167.8 | -56 | 0 | 0 | 113.8 | ||||
| 939 | N | 27.5 | Very low | 26.6 | Very low | 161 Ų | 161 | 149.9 Ų | 149.9 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | 176.5 | 125 | 142.4 | -86.9 | -12.3 | 0 | 0 | 0 | 111.9 | ||||
| 940 | S | 25.7 | Very low | 26.6 | Very low | 100 Ų | 100 | 148 Ų | 148 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | -173 | 127 | 139.5 | 53.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 941 | N | 25.8 | Very low | 26.2 | Very low | 149.75 Ų | 149.75 | 153 Ų | 153 | 80% | 0.801 | 81% | 0.809 | S | S | * | * | trans | -43.6 | 118.8 | 160.6 | -65.9 | -28.3 | 0 | 0 | 0 | 111.9 | ||||
| 942 | D | 29.9 | Very low | 26.3 | Very low | 155.25 Ų | 155.25 | 150.1 Ų | 150.1 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | trans | -129.8 | 108.1 | 148.5 | -93.1 | -33 | 0 | 0 | 0 | 110.2 | ||||
| 943 | H | 27.9 | Very low | 26.3 | Very low | 171 Ų | 171 | 147.4 Ų | 147.4 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -103.2 | 96.2 | 164.6 | -79.2 | -35.8 | 0 | 0 | 0 | 112.4 | ||||
| 944 | N | 27.3 | Very low | 26.4 | Very low | 168.5 Ų | 168.5 | 148.1 Ų | 148.1 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | trans | -133.5 | 112.9 | 145.2 | -87.1 | -34.5 | 0 | 0 | 0 | 110.4 | ||||
| 945 | G | 26.5 | Very low | 26.5 | Very low | 70.75 Ų | 70.75 | 146.9 Ų | 146.9 | 73% | 0.729 | 80% | 0.804 | S | S | * | * | trans | -152 | 88.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 946 | T | 26.9 | Very low | 26.6 | Very low | 129.5 Ų | 129.5 | 146.8 Ų | 146.8 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | -17.9 | 120.7 | 151.2 | -16.9 | 0 | 0 | 0 | 0 | 114.3 | T948 | T946-T948 PolarHBondContact O-N 3.13Å; T946-T948 VanDerWaalsContact O-N 3.09Å | ||
| 947 | Q | 24.4 | Very low | 26.6 | Very low | 181 Ų | 181 | 149.1 Ų | 149.1 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -71 | 111.7 | 155.9 | -68.1 | 173.1 | 14 | 0 | 0 | 112.1 | ||||
| 948 | T | 25.8 | Very low | 26.8 | Very low | 124 Ų | 124 | 150.4 Ų | 150.4 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | trans | -121.5 | 106.6 | 152.9 | 47.8 | 0 | 0 | 0 | 0 | 112 | T946 S950 | T946-T948 PolarHBondContact O-N 3.13Å; T946-T948 VanDerWaalsContact O-N 3.09Å; T948-S950 PolarHBondContact O-N 3.18Å; T948-S950 PolarHBondContact O-OG 2.99Å | ||
| 949 | L | 24.3 | Very low | 27.2 | Very low | 172.25 Ų | 172.25 | 148.2 Ų | 148.2 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -48.3 | 106 | 166.6 | -74.9 | 119.9 | 0 | 0 | 0 | 113.1 | R951 | L949-R951 PolarHBondContact O-N 3.06Š| ||
| 950 | S | 25.1 | Very low | 27.5 | Very low | 107 Ų | 107 | 152.1 Ų | 152.1 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | -90.5 | 107 | 159.7 | 48.6 | 0 | 0 | 0 | 0 | 110.4 | T948 S952 | T948-S950 PolarHBondContact O-N 3.18Å; T948-S950 PolarHBondContact O-OG 2.99Å; S950-S952 PolarHBondContact O-N 3.17Å; S950-S952 PolarHBondContact O-OG 3.32Å | ||
| 951 | R | 24.6 | Very low | 28.2 | Very low | 244.75 Ų | 244.75 | 152.9 Ų | 152.9 | 92% | 0.924 | 81% | 0.809 | S | S | * | * | trans | -69.3 | 105.4 | 167.7 | -113.7 | 174.1 | 173.9 | 165.8 | -2.4 | 110 | L949 | L949-R951 PolarHBondContact O-N 3.06Š| ||
| 952 | S | 26.1 | Very low | 29.3 | Very low | 105.25 Ų | 105.25 | 150.6 Ų | 150.6 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | -102.9 | 93.2 | 161.3 | 27.1 | 0 | 0 | 0 | 0 | 111.2 | S950 N954 | S950-S952 PolarHBondContact O-N 3.17Å; S950-S952 PolarHBondContact O-OG 3.32Å; S952-N954 PolarHBondContact O-N 2.85Å | ||
| 953 | S | 27.1 | Very low | 30.8 | Very low | 101.75 Ų | 101.75 | 146.7 Ų | 146.7 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | trans | -51.3 | 104.7 | 157.1 | 54.6 | 0 | 0 | 0 | 0 | 112.2 | L955 | S953-L955 PolarHBondContact O-N 2.83Š| ||
| 954 | N | 27.7 | Very low | 32.7 | Very low | 154.25 Ų | 154.25 | 140.5 Ų | 140.5 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -110.2 | 104.2 | 156.9 | -81 | -30.1 | 0 | 0 | 0 | 111.8 | S952 S956 | S952-N954 PolarHBondContact O-N 2.85Å; N954-S956 VanDerWaalsContact C-N 3.34Å; N954-S956 PolarHBondContact O-N 3.32Å | ||
| 955 | L | 29.6 | Very low | 34.9 | Very low | 164.75 Ų | 164.75 | 136.8 Ų | 136.8 | 86% | 0.863 | 75% | 0.753 | S | S | * | * | trans | -73.2 | 113 | 168.8 | -94.3 | 88.8 | 0 | 0 | 0 | 111.2 | S953 R957 | S953-L955 PolarHBondContact O-N 2.83Å; L955-R957 VanDerWaalsContact C-N 3.31Å; L955-R957 PolarHBondContact O-N 3.21Å | ||
| 956 | S | 28.3 | Very low | 37.3 | Very low | 103.25 Ų | 103.25 | 134.7 Ų | 134.7 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | trans | -104 | 86.3 | 158.7 | 123.3 | 0 | 0 | 0 | 0 | 109.2 | N954 K958 | N954-S956 VanDerWaalsContact C-N 3.34Å; N954-S956 PolarHBondContact O-N 3.32Å; S956-K958 VanDerWaalsContact C-N 3.25Å; S956-K958 PolarHBondContact O-N 2.86Å | ||
| 957 | R | 26.5 | Very low | 39.7 | Very low | 240.5 Ų | 240.5 | 134.6 Ų | 134.6 | 91% | 0.908 | 71% | 0.712 | S | S | * | * | trans | -70.6 | 72.8 | 169.6 | -167.9 | -179.6 | -103.5 | 167.6 | -5 | 107.6 | L955 T959 | L955-R957 VanDerWaalsContact C-N 3.31Å; L955-R957 PolarHBondContact O-N 3.21Å; R957-T959 PolarHBondContact O-N 3.16Å; R957-T959 VanDerWaalsContact O-N 3.16Å | ||
| 958 | K | 31 | Very low | 42.3 | Very low | 182.75 Ų | 182.75 | 130.6 Ų | 130.6 | 80% | 0.795 | 70% | 0.695 | S | S | * | * | trans | -58.7 | 112.3 | 166.1 | -84.4 | -175.6 | 176.6 | 178.9 | 0 | 106.2 | S956 R960 | S956-K958 VanDerWaalsContact C-N 3.25Å; S956-K958 PolarHBondContact O-N 2.86Å; K958-R960 PolarHBondContact O-N 3.16Å; K958-R960 VanDerWaalsContact O-N 3.13Å | ||
| 959 | T | 32.6 | Very low | 44.7 | Very low | 124.75 Ų | 124.75 | 129.2 Ų | 129.2 | 77% | 0.765 | 68% | 0.68 | S | S | * | * | trans | -41.7 | 107.2 | 173.1 | 41 | 0 | 0 | 0 | 0 | 109.2 | R957 T961 | R957-T959 PolarHBondContact O-N 3.16Å; R957-T959 VanDerWaalsContact O-N 3.16Å; T959-T961 VanDerWaalsContact C-N 3.29Å; T959-T961 PolarHBondContact O-N 3.17Å | ||
| 960 | R | 33.4 | Very low | 47.2 | Very low | 242.25 Ų | 242.25 | 121.5 Ų | 121.5 | 91% | 0.914 | 64% | 0.641 | S | S | * | * | trans | -59.2 | 98.3 | 168.2 | -75.8 | 172.6 | 67.7 | 170.8 | 0.5 | 105.8 | K958 A962 | K958-R960 PolarHBondContact O-N 3.16Å; K958-R960 VanDerWaalsContact O-N 3.13Å; R960-A962 PolarHBondContact O-N 3.14Å; R960-A962 VanDerWaalsContact O-N 3.11Å | ||
| 961 | T | 41.5 | Very low | 49.7 | Very low | 116.75 Ų | 116.75 | 119 Ų | 119 | 72% | 0.716 | 62% | 0.619 | S | S | * | * | trans | -52.2 | 120.1 | 165 | 45.7 | 0 | 0 | 0 | 0 | 106 | T959 V963 | T959-T961 VanDerWaalsContact C-N 3.29Å; T959-T961 PolarHBondContact O-N 3.17Å; T961-V963 VanDerWaalsContact C-N 3.31Å; T961-V963 WeakPolarHBondContact O-CG2 3.3Å; T961-V963 PolarHBondContact O-N 2.95Å | ||
| 962 | A | 48.8 | Very low | 52.2 | Low | 102.75 Ų | 102.75 | 111.5 Ų | 111.5 | 85% | 0.849 | 60% | 0.595 | S | S | * | * | trans | -57.2 | 103.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | R960 S964 | R960-A962 PolarHBondContact O-N 3.14Å; R960-A962 VanDerWaalsContact O-N 3.11Å; A962-S964 PolarHBondContact O-N 3.17Å | ||
| 963 | V | 61.1 | Low | 54.5 | Low | 72 Ų | 72 | 108.5 Ų | 108.5 | 44% | 0.436 | 57% | 0.57 | S | S | . | * | trans | -65.6 | 128.8 | 177.2 | -175.6 | 0 | 0 | 0 | 0 | 106.1 | T961 R967 I968 | T961-V963 VanDerWaalsContact C-N 3.31Å; T961-V963 WeakPolarHBondContact O-CG2 3.3Å; T961-V963 PolarHBondContact O-N 2.95Å; V963-R967 HydrophobicContact CG1-CB 3.85Å; V963-R967 HydrophobicContact CG1-CG 3.85Å; V963-I968 HydrophobicContact CB-CD1 4.26Å; V963-I968 HydrophobicContact CB-CG1 4.03Å; V963-I968 HydrophobicContact CG1-CB 4.49Å; V963-I968 HydrophobicContact CG1-CD1 4.42Å; V963-I968 HydrophobicContact CG1-CG1 3.66Å; V963-I968 VanDerWaalsContact CG1-CG1 3.47Å | ||
| 964 | S | 67.4 | Low | 56.8 | Low | 42.25 Ų | 42.25 | 105.5 Ų | 105.5 | 30% | 0.295 | 55% | 0.545 | S | S | . | . | trans | -59.7 | 142.9 | -179.2 | 66.5 | 0 | 0 | 0 | 0 | 109.7 | A962 T966 R967 I968 | A962-S964 PolarHBondContact O-N 3.17Å; S964-T966 WeakPolarHBondContact CB-OG1 3.49Å; S964-T966 PolarHBondContact O-N 3.11Å; S964-T966 VanDerWaalsContact O-N 3.14Å; S964-T966 PolarHBondContact OG-OG1 3.16Å; S964-R967 WeakPolarHBondContact O-CA 3.22Å; S964-R967 WeakPolarHBondContact O-CB 3.39Å; S964-R967 PolarHBondContact O-N 3.25Å; S964-R967 VanDerWaalsContact OG-CB 3.29Å; S964-R967 WeakPolarHBondContact OG-CB 3.31Å; S964-R967 PolarHBondContact OG-N 3.29Å; S964-R967 VanDerWaalsContact OG-N 3.07Å; S964-I968 PolarHBondContact O-N 3.26Å; S964-I968 VanDerWaalsContact O-N 3.14Å | ||
| 965 | P | 73.8 | Confident | 59 | Low | 89.25 Ų | 89.25 | 103.1 Ų | 103.1 | 58% | 0.58 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -56.6 | -32 | 177.2 | -10.5 | 12.5 | 0 | 0 | 0 | 112.3 | R967 I968 Q969 | P965-R967 PolarHBondContact O-N 3.02Å; P965-I968 PolarHBondContact O-N 3.31Å; P965-Q969 WeakPolarHBondContact O-CB 3.32Å; P965-Q969 PolarHBondContact O-N 3.14Å; P965-Q969 VanDerWaalsContact O-N 3.1Å |
| 966 | T | 76.8 | Confident | 61 | Low | 26.75 Ų | 26.75 | 97.8 Ų | 97.8 | 16% | 0.164 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -60.9 | -44 | 173.7 | -12.4 | 0 | 0 | 0 | 0 | 112 | R514 H558 D561 I562 L565 S964 Q969 A970 | R514-T966 VanDerWaalsContact CZ-OG1 3.29Å; R514-T966 PolarHBondContact NH1-OG1 3.15Å; R514-T966 PolarHBondContact NH2-OG1 3.02Å; H558-T966 PolarHBondContact NE2-OG1 2.89Å; D561-T966 HydrophobicContact CB-CG2 3.99Å; I562-T966 HydrophobicContact CG1-CG2 4.04Å; L565-T966 HydrophobicContact CD2-CG2 4.05Å; S964-T966 WeakPolarHBondContact CB-OG1 3.49Å; S964-T966 PolarHBondContact O-N 3.11Å; S964-T966 VanDerWaalsContact O-N 3.14Å; S964-T966 PolarHBondContact OG-OG1 3.16Å; T966-Q969 PolarHBondContact O-N 3.02Å; T966-A970 WeakPolarHBondContact O-CB 3.34Å; T966-A970 PolarHBondContact O-N 3.04Å |
| 967 | R | 78.6 | Confident | 62.9 | Low | 129 Ų | 129 | 93.3 Ų | 93.3 | 49% | 0.487 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.8 | -42 | 179.6 | -177.8 | 165.4 | 176 | 164.4 | 2.8 | 112 | D561 V963 S964 P965 Q969 A970 D971 | D561-R967 VanDerWaalsContact OD2-CB 3.28Å; D561-R967 WeakPolarHBondContact OD2-CB 3.44Å; V963-R967 HydrophobicContact CG1-CB 3.85Å; V963-R967 HydrophobicContact CG1-CG 3.85Å; S964-R967 WeakPolarHBondContact O-CA 3.22Å; S964-R967 WeakPolarHBondContact O-CB 3.39Å; S964-R967 PolarHBondContact O-N 3.25Å; S964-R967 VanDerWaalsContact OG-CB 3.29Å; S964-R967 WeakPolarHBondContact OG-CB 3.31Å; S964-R967 PolarHBondContact OG-N 3.29Å; S964-R967 VanDerWaalsContact OG-N 3.07Å; P965-R967 PolarHBondContact O-N 3.02Å; R967-Q969 VanDerWaalsContact C-N 3.3Å; R967-Q969 PolarHBondContact O-N 3.02Å; R967-A970 PolarHBondContact O-N 3.2Å; R967-D971 WeakPolarHBondContact CG-OD2 3.26Å; R967-D971 IonicContact NE-OD2 3.19Å; R967-D971 WeakPolarHBondContact O-CB 3.43Å; R967-D971 PolarHBondContact O-N 3.38Å |
| 968 | I | 77.6 | Confident | 64.9 | Low | 95.5 Ų | 95.5 | 84.1 Ų | 84.1 | 49% | 0.49 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59 | -45.1 | 175.1 | -60.5 | 173 | 0 | 0 | 0 | 110.2 | V963 S964 P965 A970 D971 H972 | V963-I968 HydrophobicContact CB-CD1 4.26Å; V963-I968 HydrophobicContact CB-CG1 4.03Å; V963-I968 HydrophobicContact CG1-CB 4.49Å; V963-I968 HydrophobicContact CG1-CD1 4.42Å; V963-I968 HydrophobicContact CG1-CG1 3.66Å; V963-I968 VanDerWaalsContact CG1-CG1 3.47Å; S964-I968 PolarHBondContact O-N 3.26Å; S964-I968 VanDerWaalsContact O-N 3.14Å; P965-I968 PolarHBondContact O-N 3.31Å; I968-A970 VanDerWaalsContact C-N 3.33Å; I968-A970 PolarHBondContact O-N 3.4Å; I968-D971 PolarHBondContact O-N 2.83Å; I968-H972 WeakPolarHBondContact O-CB 3.44Å; I968-H972 PolarHBondContact O-N 2.99Å |
| 969 | Q | 77.1 | Confident | 66.8 | Low | 96.25 Ų | 96.25 | 80.1 Ų | 80.1 | 45% | 0.45 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -69 | -38.2 | 179.2 | -166.1 | 145.6 | 40.7 | 0 | 0 | 112.4 | L565 P965 T966 R967 H972 L973 | L565-Q969 HydrophobicContact CD1-CB 4Å; L565-Q969 HydrophobicContact CD1-CG 3.61Å; P965-Q969 WeakPolarHBondContact O-CB 3.32Å; P965-Q969 PolarHBondContact O-N 3.14Å; P965-Q969 VanDerWaalsContact O-N 3.1Å; T966-Q969 PolarHBondContact O-N 3.02Å; R967-Q969 VanDerWaalsContact C-N 3.3Å; R967-Q969 PolarHBondContact O-N 3.02Å; Q969-H972 PolarHBondContact O-N 3.14Å; Q969-L973 WeakPolarHBondContact O-CB 3.38Å; Q969-L973 WeakPolarHBondContact O-CG 3.37Å; Q969-L973 PolarHBondContact O-N 3.01Å |
| 970 | A | 76.1 | Confident | 69 | Low | 9.75 Ų | 9.75 | 75 Ų | 75 | 8% | 0.081 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T564 T966 R967 I968 H972 L973 I974 | T564-A970 HydrophobicContact CG2-CB 4.03Å; T966-A970 WeakPolarHBondContact O-CB 3.34Å; T966-A970 PolarHBondContact O-N 3.04Å; R967-A970 PolarHBondContact O-N 3.2Å; I968-A970 VanDerWaalsContact C-N 3.33Å; I968-A970 PolarHBondContact O-N 3.4Å; A970-H972 VanDerWaalsContact C-N 3.32Å; A970-H972 PolarHBondContact O-N 3.17Å; A970-L973 CarbonylContact O-C 3.52Å; A970-L973 PolarHBondContact O-N 3.09Å; A970-I974 WeakPolarHBondContact O-CB 3.38Å; A970-I974 WeakPolarHBondContact O-CD1 3.31Å; A970-I974 VanDerWaalsContact O-CG1 3.27Å; A970-I974 WeakPolarHBondContact O-CG1 3.4Å; A970-I974 PolarHBondContact O-N 3.17Å |
| 971 | D | 78.2 | Confident | 71.5 | Confident | 55 Ų | 55 | 66.7 Ų | 66.7 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 176.5 | -70.9 | -25.2 | 0 | 0 | 0 | 111.1 | R610 R967 I968 I974 N975 | R610-D971 IonicContact CZ-OD1 3.12Å; R610-D971 IonicContact NH1-OD1 3.5Å; R610-D971 PolarHBondContact NH1-OD1 3.36Å; R610-D971 IonicContact NH2-OD1 2.79Å; R610-D971 PolarHBondContact NH2-OD1 3.19Å; R967-D971 WeakPolarHBondContact CG-OD2 3.26Å; R967-D971 IonicContact NE-OD2 3.19Å; R967-D971 WeakPolarHBondContact O-CB 3.43Å; R967-D971 PolarHBondContact O-N 3.38Å; I968-D971 PolarHBondContact O-N 2.83Å; D971-I974 PolarHBondContact O-N 3.22Å; D971-N975 VanDerWaalsContact O-CB 3.23Å; D971-N975 WeakPolarHBondContact O-CB 3.44Å; D971-N975 VanDerWaalsContact O-CG 3.28Å; D971-N975 PolarHBondContact O-N 3.08Å; D971-N975 PolarHBondContact O-ND2 3.23Å |
| 972 | H | 76.7 | Confident | 73.9 | Confident | 87.75 Ų | 87.75 | 61.5 Ų | 61.5 | 41% | 0.406 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 173.6 | -156.1 | -90.5 | 0 | 0 | 0 | 112.4 | L864 I968 Q969 A970 I974 N975 Q976 | L864-H972 WeakPolarHBondContact CD2-CE1 3.28Å; L864-H972 WeakPolarHBondContact CD2-ND1 3.49Å; I968-H972 WeakPolarHBondContact O-CB 3.44Å; I968-H972 PolarHBondContact O-N 2.99Å; Q969-H972 PolarHBondContact O-N 3.14Å; A970-H972 VanDerWaalsContact C-N 3.32Å; A970-H972 PolarHBondContact O-N 3.17Å; H972-I974 VanDerWaalsContact C-N 3.31Å; H972-I974 PolarHBondContact O-N 3.24Å; H972-N975 WeakPolarHBondContact O-CB 3.41Å; H972-N975 PolarHBondContact O-N 3.16Å; H972-Q976 VanDerWaalsContact CE1-CD 3.46Å; H972-Q976 PolarHBondContact CE1-NE2 3.16Å; H972-Q976 PolarHBondContact ND1-OE1 3.43Å; H972-Q976 WeakPolarHBondContact O-CB 3.17Å; H972-Q976 WeakPolarHBondContact O-CG 3.48Å; H972-Q976 PolarHBondContact O-N 3.06Å |
| 973 | L | 75.1 | Confident | 75.9 | Confident | 40.75 Ų | 40.75 | 60.4 Ų | 60.4 | 21% | 0.213 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.2 | -33.7 | 178.1 | -73.5 | 171.1 | 0 | 0 | 0 | 112.4 | L565 L568 R569 Q969 A970 N975 Q976 A977 | L565-L973 HydrophobicContact CD1-CD1 3.66Å; L568-L973 HydrophobicContact CB-CB 4.03Å; L568-L973 HydrophobicContact CB-CD1 4.29Å; L568-L973 HydrophobicContact CD1-CB 3.61Å; L568-L973 HydrophobicContact CG-CB 4.43Å; R569-L973 HydrophobicContact CG-CD1 3.92Å; Q969-L973 WeakPolarHBondContact O-CB 3.38Å; Q969-L973 WeakPolarHBondContact O-CG 3.37Å; Q969-L973 PolarHBondContact O-N 3.01Å; A970-L973 CarbonylContact O-C 3.52Å; A970-L973 PolarHBondContact O-N 3.09Å; L973-N975 VanDerWaalsContact C-N 3.34Å; L973-Q976 PolarHBondContact O-N 3.03Å; L973-A977 VanDerWaalsContact O-CB 3.22Å; L973-A977 WeakPolarHBondContact O-CB 3.27Å; L973-A977 PolarHBondContact O-N 3.16Å |
| 974 | I | 75.8 | Confident | 77.3 | Confident | 39 Ų | 39 | 57.9 Ų | 57.9 | 20% | 0.2 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 174.5 | -69.3 | 163 | 0 | 0 | 0 | 110 | T564 L568 A970 D971 H972 Q976 A977 S978 | T564-I974 HydrophobicContact CG2-CD1 3.94Å; T564-I974 HydrophobicContact CG2-CG1 3.93Å; L568-I974 HydrophobicContact CD1-CB 4.45Å; L568-I974 HydrophobicContact CD1-CG1 3.71Å; A970-I974 WeakPolarHBondContact O-CB 3.38Å; A970-I974 WeakPolarHBondContact O-CD1 3.31Å; A970-I974 VanDerWaalsContact O-CG1 3.27Å; A970-I974 WeakPolarHBondContact O-CG1 3.4Å; A970-I974 PolarHBondContact O-N 3.17Å; D971-I974 PolarHBondContact O-N 3.22Å; H972-I974 VanDerWaalsContact C-N 3.31Å; H972-I974 PolarHBondContact O-N 3.24Å; I974-Q976 VanDerWaalsContact C-N 3.29Å; I974-Q976 PolarHBondContact O-N 2.88Å; I974-A977 VanDerWaalsContact O-CB 3.3Å; I974-A977 WeakPolarHBondContact O-CB 3.49Å; I974-A977 PolarHBondContact O-N 3.1Å; I974-S978 VanDerWaalsContact O-CB 3.27Å; I974-S978 WeakPolarHBondContact O-CB 3.36Å; I974-S978 PolarHBondContact O-N 3.26Å |
| 975 | N | 73.6 | Confident | 78.5 | Confident | 103.75 Ų | 103.75 | 63.4 Ų | 63.4 | 56% | 0.555 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.6 | -39.7 | 177.7 | -68.7 | -22.1 | 0 | 0 | 0 | 111.6 | D971 H972 L973 A977 S978 L979 | D971-N975 VanDerWaalsContact O-CB 3.23Å; D971-N975 WeakPolarHBondContact O-CB 3.44Å; D971-N975 VanDerWaalsContact O-CG 3.28Å; D971-N975 PolarHBondContact O-N 3.08Å; D971-N975 PolarHBondContact O-ND2 3.23Å; H972-N975 WeakPolarHBondContact O-CB 3.41Å; H972-N975 PolarHBondContact O-N 3.16Å; L973-N975 VanDerWaalsContact C-N 3.34Å; N975-A977 PolarHBondContact O-N 3.37Å; N975-S978 WeakPolarHBondContact O-CB 3.31Å; N975-S978 PolarHBondContact O-N 3.2Å; N975-S978 PolarHBondContact O-OG 3.06Å; N975-L979 WeakPolarHBondContact O-CD1 3.46Å |
| 976 | Q | 71 | Confident | 79.3 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 25% | 0.248 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.7 | -38.4 | 173 | -72.1 | 178.2 | -30 | 0 | 0 | 112.3 | A860 H972 L973 I974 S978 L979 | A860-Q976 HydrophobicContact CB-CB 4.27Å; A860-Q976 HydrophobicContact CB-CG 4.19Å; H972-Q976 VanDerWaalsContact CE1-CD 3.46Å; H972-Q976 PolarHBondContact CE1-NE2 3.16Å; H972-Q976 PolarHBondContact ND1-OE1 3.43Å; H972-Q976 WeakPolarHBondContact O-CB 3.17Å; H972-Q976 WeakPolarHBondContact O-CG 3.48Å; H972-Q976 PolarHBondContact O-N 3.06Å; L973-Q976 PolarHBondContact O-N 3.03Å; I974-Q976 VanDerWaalsContact C-N 3.29Å; I974-Q976 PolarHBondContact O-N 2.88Å; Q976-S978 PolarHBondContact O-N 3.03Å; Q976-L979 WeakPolarHBondContact O-CB 3.38Å; Q976-L979 WeakPolarHBondContact O-CD1 3.48Å; Q976-L979 WeakPolarHBondContact O-CG 3.34Å; Q976-L979 PolarHBondContact O-N 2.87Å |
| 977 | A | 68.6 | Low | 80.2 | Confident | 8.75 Ų | 8.75 | 65.4 Ų | 65.4 | 7% | 0.072 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.7 | -20 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L568 R612 R616 L973 I974 N975 L979 | L568-A977 HydrophobicContact CD2-CB 4.03Å; R612-A977 PolarHBondContact NH2-O 3.32Å; R616-A977 PolarHBondContact NH2-O 3.39Å; L973-A977 VanDerWaalsContact O-CB 3.22Å; L973-A977 WeakPolarHBondContact O-CB 3.27Å; L973-A977 PolarHBondContact O-N 3.16Å; I974-A977 VanDerWaalsContact O-CB 3.3Å; I974-A977 WeakPolarHBondContact O-CB 3.49Å; I974-A977 PolarHBondContact O-N 3.1Å; N975-A977 PolarHBondContact O-N 3.37Å; A977-L979 VanDerWaalsContact C-N 3.32Å; A977-L979 PolarHBondContact O-N 3.16Å |
| 978 | S | 67.7 | Low | 80.8 | Confident | 47.5 Ų | 47.5 | 65.2 Ų | 65.2 | 33% | 0.332 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -12 | -170.2 | 74 | 0 | 0 | 0 | 0 | 116.7 | R612 R863 I974 N975 Q976 V980 | R612-S978 VanDerWaalsContact NH1-CA 3.34Å; R612-S978 PolarHBondContact NH1-O 3.17Å; R612-S978 PolarHBondContact NH2-O 2.84Å; R612-S978 VanDerWaalsContact NH2-O 3.12Å; R863-S978 PolarHBondContact NH1-OG 3.41Å; I974-S978 VanDerWaalsContact O-CB 3.27Å; I974-S978 WeakPolarHBondContact O-CB 3.36Å; I974-S978 PolarHBondContact O-N 3.26Å; N975-S978 WeakPolarHBondContact O-CB 3.31Å; N975-S978 PolarHBondContact O-N 3.2Å; N975-S978 PolarHBondContact O-OG 3.06Å; Q976-S978 PolarHBondContact O-N 3.03Å; S978-V980 VanDerWaalsContact C-N 3.34Å; S978-V980 PolarHBondContact O-N 2.83Å |
| 979 | L | 70.5 | Confident | 81.5 | Confident | 100 Ų | 100 | 61.2 Ų | 61.2 | 52% | 0.524 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -22 | -170.4 | -82.4 | 132.9 | 0 | 0 | 0 | 116.1 | R863 N975 Q976 A977 | R863-L979 HydrophobicContact CG-CD1 4.05Å; N975-L979 WeakPolarHBondContact O-CD1 3.46Å; Q976-L979 WeakPolarHBondContact O-CB 3.38Å; Q976-L979 WeakPolarHBondContact O-CD1 3.48Å; Q976-L979 WeakPolarHBondContact O-CG 3.34Å; Q976-L979 PolarHBondContact O-N 2.87Å; A977-L979 VanDerWaalsContact C-N 3.32Å; A977-L979 PolarHBondContact O-N 3.16Å |
| 980 | V | 80.3 | Confident | 82.1 | Confident | 17.5 Ų | 17.5 | 61.9 Ų | 61.9 | 11% | 0.106 | 31% | 0.313 | C | S | . | . | trans | -107.5 | 125.9 | -178.6 | -172.1 | 0 | 0 | 0 | 0 | 109.2 | F852 R856 F859 S978 | F852-V980 HydrophobicContact CD2-CG1 4.42Å; F852-V980 HydrophobicContact CE2-CG1 3.95Å; R856-V980 HydrophobicContact CB-CB 4.44Å; R856-V980 HydrophobicContact CB-CG1 4.35Å; R856-V980 HydrophobicContact CG-CB 4.32Å; F859-V980 HydrophobicContact CB-CG2 3.52Å; F859-V980 VanDerWaalsContact CB-CG2 3.47Å; F859-V980 HydrophobicContact CD1-CG2 4.4Å; F859-V980 HydrophobicContact CD2-CG2 3.55Å; F859-V980 VanDerWaalsContact CD2-CG2 3.48Å; F859-V980 HydrophobicContact CE2-CG2 4.36Å; F859-V980 HydrophobicContact CG-CG2 3.61Å; S978-V980 VanDerWaalsContact C-N 3.34Å; S978-V980 PolarHBondContact O-N 2.83Å | ||
| 981 | S | 86.1 | Confident | 82.7 | Confident | 67.25 Ų | 67.25 | 62.8 Ų | 62.8 | 47% | 0.47 | 31% | 0.314 | S | S | . | . | trans | -122.1 | 139.2 | 175.1 | 178.2 | 0 | 0 | 0 | 0 | 109.6 | T654 | T654-S981 WeakPolarHBondContact CA-OG 3.42Å; T654-S981 VanDerWaalsContact CB-OG 3.3Å; T654-S981 WeakPolarHBondContact CB-OG 3.2Å; T654-S981 CarbonylContact O-C 3.43Å; T654-S981 WeakPolarHBondContact O-CA 3.39Å | ||
| 982 | W | 90.8 | Very high | 83.2 | Confident | 8.25 Ų | 8.25 | 63.8 Ų | 63.8 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | trans | -69.2 | 133.9 | 174 | -180 | 47.3 | 0 | 0 | 0 | 110.8 | L653 T654 L659 L699 E848 F852 Y984 F987 | L653-W982 VanDerWaalsContact O-CE3 3.3Å; T654-W982 PolarHBondContact O-N 3.13Å; L659-W982 HydrophobicContact CB-CE3 4.46Å; L659-W982 HydrophobicContact CB-CH2 3.74Å; L659-W982 HydrophobicContact CB-CZ2 4.34Å; L659-W982 HydrophobicContact CB-CZ3 3.83Å; L659-W982 HydrophobicContact CD1-CH2 4.08Å; L659-W982 HydrophobicContact CD1-CZ2 4.36Å; L659-W982 HydrophobicContact CD2-CH2 3.89Å; L659-W982 HydrophobicContact CD2-CZ2 3.63Å; L659-W982 HydrophobicContact CG-CH2 4.12Å; L659-W982 HydrophobicContact CG-CZ2 4.35Å; L699-W982 HydrophobicContact CD1-CH2 3.96Å; L699-W982 HydrophobicContact CD2-CH2 3.92Å; L699-W982 HydrophobicContact CD2-CZ3 3.96Å; E848-W982 HydrophobicContact CG-CZ2 4.08Å; E848-W982 PolarHBondContact OE1-NE1 3.23Å; F852-W982 HydrophobicContact CD1-CB 4.46Å; F852-W982 HydrophobicContact CD2-CB 3.84Å; F852-W982 HydrophobicContact CD2-CG 4.34Å; F852-W982 HydrophobicContact CE1-CB 4.34Å; F852-W982 HydrophobicContact CE2-CB 3.68Å; F852-W982 VanDerWaalsContact CE2-N 3.34Å; F852-W982 HydrophobicContact CG-CB 4.25Å; F852-W982 HydrophobicContact CG-CG 4.42Å; F852-W982 HydrophobicContact CZ-CB 3.94Å; W982-Y984 VanDerWaalsContact C-N 3.27Å; W982-Y984 VanDerWaalsContact CZ3-CB 3.46Å; W982-Y984 WeakPolarHBondContact O-CD1 3.21Å; W982-Y984 PolarHBondContact O-N 2.97Å; W982-Y984 VanDerWaalsContact O-N 3.08Å; W982-F987 HydrophobicContact CH2-CB 4.43Å; W982-F987 HydrophobicContact CH2-CD1 4.12Å; W982-F987 HydrophobicContact CH2-CG 4.44Å; W982-F987 HydrophobicContact CZ2-CB 3.75Å; W982-F987 AromaticContact CZ2-CD1 3.79Å; W982-F987 HydrophobicContact CZ2-CD1 3.79Å; W982-F987 HydrophobicContact CZ2-CD2 4.41Å; W982-F987 AromaticContact CZ2-CG 3.77Å; W982-F987 HydrophobicContact CZ2-CG 3.77Å | ||
| 983 | N | 90.6 | Very high | 83.5 | Confident | 78.75 Ų | 78.75 | 60.8 Ų | 60.8 | 42% | 0.421 | 31% | 0.313 | S | S | . | . | trans | -82.3 | 67.8 | 177.1 | -173.9 | 8.2 | 0 | 0 | 0 | 111.5 | R985 E986 F987 | N983-R985 PolarHBondContact O-N 3.17Å; N983-R985 VanDerWaalsContact O-N 3.12Å; N983-E986 WeakPolarHBondContact ND2-CG 3.31Å; N983-E986 PolarHBondContact ND2-OE2 3.29Å; N983-E986 VanDerWaalsContact ND2-OE2 3.14Å; N983-E986 PolarHBondContact O-N 3.09Å; N983-F987 PolarHBondContact O-N 2.76Å | ||
| 984 | Y | 91.5 | Very high | 84 | Confident | 19 Ų | 19 | 59.6 Ų | 59.6 | 8% | 0.075 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -19.8 | 179.3 | 64.7 | -93.2 | 0 | 0 | 0 | 113.7 | L653 T654 D695 L699 R702 W982 | L653-Y984 HydrophobicContact CB-CD1 3.8Å; L653-Y984 HydrophobicContact CB-CD2 4.45Å; L653-Y984 HydrophobicContact CB-CE1 3.91Å; L653-Y984 HydrophobicContact CB-CG 4.11Å; L653-Y984 HydrophobicContact CD1-CD2 4.46Å; L653-Y984 HydrophobicContact CD1-CE2 4.24Å; L653-Y984 HydrophobicContact CD2-CD2 4.28Å; L653-Y984 HydrophobicContact CD2-CG 4.26Å; T654-Y984 HydrophobicContact CG2-CE1 4.4Å; D695-Y984 HydrophobicContact CB-CD2 4.41Å; D695-Y984 HydrophobicContact CB-CE2 3.76Å; D695-Y984 WeakPolarHBondContact OD1-CE2 3.22Å; D695-Y984 PolarHBondContact OD2-OH 3.19Å; L699-Y984 WeakPolarHBondContact CD1-O 3.31Å; R702-Y984 PolarHBondContact NH2-O 3.1Å; W982-Y984 VanDerWaalsContact C-N 3.27Å; W982-Y984 VanDerWaalsContact CZ3-CB 3.46Å; W982-Y984 WeakPolarHBondContact O-CD1 3.21Å; W982-Y984 PolarHBondContact O-N 2.97Å; W982-Y984 VanDerWaalsContact O-N 3.08Å |
| 985 | R | 91.8 | Very high | 84.1 | Confident | 158.75 Ų | 158.75 | 63.3 Ų | 63.3 | 60% | 0.599 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -35.6 | -174.8 | -69.8 | -172.5 | 174.7 | 142.9 | 0.5 | 113 | D695 R702 N983 | D695-R985 IonicContact OD1-NE 3.15Å; D695-R985 IonicContact OD1-NH2 3.7Å; R702-R985 PolarHBondContact NE-O 3.2Å; R702-R985 VanDerWaalsContact NE-O 3.12Å; R702-R985 PolarHBondContact NH2-O 2.96Å; N983-R985 PolarHBondContact O-N 3.17Å; N983-R985 VanDerWaalsContact O-N 3.12Å |
| 986 | E | 90.9 | Very high | 84.2 | Confident | 147 Ų | 147 | 64.9 Ų | 64.9 | 69% | 0.687 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -18.9 | -178.3 | -66.5 | -177.7 | 162.6 | 0 | 0 | 113.2 | N983 K988 | N983-E986 WeakPolarHBondContact ND2-CG 3.31Å; N983-E986 PolarHBondContact ND2-OE2 3.29Å; N983-E986 VanDerWaalsContact ND2-OE2 3.14Å; N983-E986 PolarHBondContact O-N 3.09Å; E986-K988 PolarHBondContact O-N 3.22Å |
| 987 | F | 94.6 | Very high | 84.6 | Confident | 11.5 Ų | 11.5 | 63.7 Ų | 63.7 | 5% | 0.05 | 32% | 0.324 | C | S | . | . | trans | -58.8 | 125.6 | 177.7 | -174.4 | -113.9 | 0 | 0 | 0 | 111.3 | L659 L699 R702 M703 M845 E848 W982 N983 V989 | L659-F987 HydrophobicContact CD1-CD1 4.39Å; L659-F987 HydrophobicContact CD1-CE1 3.78Å; L659-F987 HydrophobicContact CD1-CZ 4.44Å; L659-F987 HydrophobicContact CD2-CE1 4.44Å; L699-F987 HydrophobicContact CD1-CB 4.41Å; L699-F987 HydrophobicContact CD1-CD1 3.99Å; R702-F987 WeakPolarHBondContact CB-O 3.49Å; R702-F987 WeakPolarHBondContact CD-O 3.34Å; R702-F987 PolarHBondContact NE-O 3.16Å; R702-F987 VanDerWaalsContact NE-O 3.1Å; M703-F987 HydrophobicContact CE-CE1 4.09Å; M703-F987 HydrophobicContact CG-CD1 3.82Å; M703-F987 HydrophobicContact CG-CE1 3.67Å; M703-F987 HydrophobicContact SD-CD1 3.89Å; M703-F987 HydrophobicContact SD-CE1 3.73Å; M845-F987 HydrophobicContact CG-CE1 4.39Å; M845-F987 HydrophobicContact CG-CZ 4.21Å; E848-F987 HydrophobicContact CB-CD2 4.06Å; E848-F987 HydrophobicContact CB-CE2 3.52Å; E848-F987 VanDerWaalsContact CB-CE2 3.49Å; E848-F987 HydrophobicContact CB-CZ 4.05Å; E848-F987 VanDerWaalsContact CD-CD2 3.44Å; E848-F987 HydrophobicContact CG-CD2 3.53Å; E848-F987 VanDerWaalsContact CG-CD2 3.5Å; E848-F987 HydrophobicContact CG-CE2 3.54Å; E848-F987 HydrophobicContact CG-CG 4.2Å; E848-F987 HydrophobicContact CG-CZ 4.18Å; E848-F987 VanDerWaalsContact OE2-CD2 3.26Å; E848-F987 WeakPolarHBondContact OE2-CD2 3.22Å; E848-F987 WeakPolarHBondContact OE2-CE2 3.25Å; W982-F987 HydrophobicContact CH2-CB 4.43Å; W982-F987 HydrophobicContact CH2-CD1 4.12Å; W982-F987 HydrophobicContact CH2-CG 4.44Å; W982-F987 HydrophobicContact CZ2-CB 3.75Å; W982-F987 AromaticContact CZ2-CD1 3.79Å; W982-F987 HydrophobicContact CZ2-CD1 3.79Å; W982-F987 HydrophobicContact CZ2-CD2 4.41Å; W982-F987 AromaticContact CZ2-CG 3.77Å; W982-F987 HydrophobicContact CZ2-CG 3.77Å; N983-F987 PolarHBondContact O-N 2.76Å; F987-V989 HydrophobicContact CE1-CG2 4.13Å; F987-V989 HydrophobicContact CZ-CG2 4.01Å | ||
| 988 | K | 92.2 | Very high | 85.2 | Confident | 124 Ų | 124 | 63.8 Ų | 63.8 | 54% | 0.539 | 32% | 0.324 | S | S | . | . | trans | -147.9 | 147.6 | 177.3 | 70 | -175.7 | -177.6 | -174.4 | 0 | 109.5 | R702 E986 | R702-K988 HydrophobicContact CB-CB 4.03Å; R702-K988 HydrophobicContact CG-CB 4.42Å; R702-K988 CarbonylContact O-C 3.54Å; R702-K988 VanDerWaalsContact O-CA 3.32Å; R702-K988 WeakPolarHBondContact O-CA 3.09Å; E986-K988 PolarHBondContact O-N 3.22Å | ||
| 989 | V | 91.9 | Very high | 86 | Confident | 11 Ų | 11 | 68.1 Ų | 68.1 | 7% | 0.067 | 33% | 0.333 | C | S | . | . | trans | -101.6 | 118.9 | 179.7 | 178.8 | 0 | 0 | 0 | 0 | 108.4 | R702 M703 L841 F987 Y991 | R702-V989 PolarHBondContact O-N 2.96Å; R702-V989 VanDerWaalsContact O-N 3.1Å; M703-V989 HydrophobicContact CB-CG2 4.11Å; M703-V989 HydrophobicContact CG-CG2 4.09Å; L841-V989 HydrophobicContact CB-CG1 4.47Å; L841-V989 HydrophobicContact CD1-CB 4.36Å; L841-V989 HydrophobicContact CD1-CG1 4.17Å; L841-V989 HydrophobicContact CD1-CG2 3.7Å; F987-V989 HydrophobicContact CE1-CG2 4.13Å; F987-V989 HydrophobicContact CZ-CG2 4.01Å; V989-Y991 HydrophobicContact CB-CE2 4.4Å; V989-Y991 HydrophobicContact CG1-CD1 4.38Å; V989-Y991 HydrophobicContact CG1-CD2 4.44Å; V989-Y991 HydrophobicContact CG1-CE1 3.86Å; V989-Y991 HydrophobicContact CG1-CE2 3.97Å | ||
| 990 | N | 90 | Very high | 86.4 | Confident | 111 Ų | 111 | 63.3 Ų | 63.3 | 59% | 0.594 | 31% | 0.308 | S | S | * | . | trans | -90.6 | 139.2 | 170.3 | -60.5 | -40.7 | 0 | 0 | 0 | 108.3 | P992 | N990-P992 VanDerWaalsContact O-CD 3.27Å; N990-P992 WeakPolarHBondContact O-CD 3.32Å | ||
| 991 | Y | 89.5 | Confident | 86.3 | Confident | 29.5 Ų | 29.5 | 64.3 Ų | 64.3 | 12% | 0.116 | 32% | 0.321 | C | S | . | . | trans | -111.5 | 91.9 | 177.7 | -65.4 | -77.7 | 0 | 0 | 0 | 109.9 | M703 P705 W833 T837 E840 L841 V989 S993 L994 | M703-Y991 PolarHBondContact O-OH 3.13Å; P705-Y991 HydrophobicContact CG-CE2 4.41Å; W833-Y991 HydrophobicContact CZ3-CE1 4.11Å; W833-Y991 AromaticContact CZ3-CZ 3.97Å; T837-Y991 HydrophobicContact CG2-CD1 4.34Å; T837-Y991 WeakPolarHBondContact O-CE1 3.3Å; E840-Y991 HydrophobicContact CB-CD1 4.1Å; E840-Y991 HydrophobicContact CB-CE1 4.48Å; E840-Y991 VanDerWaalsContact OE2-CA 3.24Å; E840-Y991 WeakPolarHBondContact OE2-CA 3.32Å; E840-Y991 WeakPolarHBondContact OE2-CB 3.18Å; E840-Y991 WeakPolarHBondContact OE2-CD1 3.3Å; L841-Y991 HydrophobicContact CB-CE1 4.23Å; V989-Y991 HydrophobicContact CB-CE2 4.4Å; V989-Y991 HydrophobicContact CG1-CD1 4.38Å; V989-Y991 HydrophobicContact CG1-CD2 4.44Å; V989-Y991 HydrophobicContact CG1-CE1 3.86Å; V989-Y991 HydrophobicContact CG1-CE2 3.97Å; Y991-S993 PolarHBondContact O-N 3.17Å; Y991-L994 HydrophobicContact CD2-CD1 4.36Å; Y991-L994 HydrophobicContact CG-CD1 4.08Å; Y991-L994 PolarHBondContact O-N 2.95Å | ||
| 992 | P | 87 | Confident | 86 | Confident | 75.25 Ų | 75.25 | 65.4 Ų | 65.4 | 49% | 0.489 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -53.4 | -38.6 | 179.2 | -28 | 35.1 | 0 | 0 | 0 | 113.2 | E840 N990 L994 I995 | E840-P992 WeakPolarHBondContact OE2-CD 3.35Å; N990-P992 VanDerWaalsContact O-CD 3.27Å; N990-P992 WeakPolarHBondContact O-CD 3.32Å; P992-L994 PolarHBondContact O-N 3.28Å; P992-L994 VanDerWaalsContact O-N 3.13Å; P992-I995 HydrophobicContact CB-CD1 4.49Å; P992-I995 WeakPolarHBondContact O-CB 3.39Å; P992-I995 PolarHBondContact O-N 3.09Å; P992-I995 VanDerWaalsContact O-N 3.15Å |
| 993 | S | 84.4 | Confident | 85.8 | Confident | 25.25 Ų | 25.25 | 66.3 Ų | 66.3 | 18% | 0.177 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -58.8 | -23.9 | 177 | 62.4 | 0 | 0 | 0 | 0 | 114.7 | T837 E840 Y991 | T837-S993 WeakPolarHBondContact CG2-OG 3.32Å; E840-S993 VanDerWaalsContact CD-OG 3.28Å; E840-S993 VanDerWaalsContact OE1-CB 3.28Å; E840-S993 WeakPolarHBondContact OE1-CB 3.35Å; E840-S993 PolarHBondContact OE1-N 3.18Å; E840-S993 VanDerWaalsContact OE1-N 3.1Å; E840-S993 PolarHBondContact OE1-OG 3.3Å; E840-S993 VanDerWaalsContact OE1-OG 3.09Å; E840-S993 WeakPolarHBondContact OE2-CB 3.49Å; E840-S993 PolarHBondContact OE2-OG 2.99Å; Y991-S993 PolarHBondContact O-N 3.17Å |
| 994 | L | 84.3 | Confident | 85.6 | Confident | 14.75 Ų | 14.75 | 63.2 Ų | 63.2 | 8% | 0.077 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -99 | 2.8 | -177.2 | -57.5 | -178.7 | 0 | 0 | 0 | 113.3 | I832 T837 Y991 P992 E996 E997 R999 F1004 | I832-L994 HydrophobicContact CB-CD2 3.84Å; I832-L994 HydrophobicContact CD1-CD2 4.2Å; I832-L994 HydrophobicContact CG2-CD2 3.63Å; T837-L994 HydrophobicContact CG2-CD1 4.15Å; T837-L994 HydrophobicContact CG2-CD2 4.12Å; T837-L994 HydrophobicContact CG2-CG 4.1Å; Y991-L994 HydrophobicContact CD2-CD1 4.36Å; Y991-L994 HydrophobicContact CG-CD1 4.08Å; Y991-L994 PolarHBondContact O-N 2.95Å; P992-L994 PolarHBondContact O-N 3.28Å; P992-L994 VanDerWaalsContact O-N 3.13Å; L994-E996 VanDerWaalsContact C-N 3.32Å; L994-E996 PolarHBondContact O-N 3.31Å; L994-E997 PolarHBondContact O-N 3.22Å; L994-R999 PolarHBondContact O-NE 3.09Å; L994-F1004 HydrophobicContact CD1-CZ 4.28Å; L994-F1004 HydrophobicContact CD2-CE1 4.41Å |
| 995 | I | 79.5 | Confident | 85.3 | Confident | 117 Ų | 117 | 62.3 Ų | 62.3 | 60% | 0.6 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -74.2 | -30.9 | 179.4 | -63 | 176.9 | 0 | 0 | 0 | 111.3 | P992 | P992-I995 HydrophobicContact CB-CD1 4.49Å; P992-I995 WeakPolarHBondContact O-CB 3.39Å; P992-I995 PolarHBondContact O-N 3.09Å; P992-I995 VanDerWaalsContact O-N 3.15Å |
| 996 | E | 74 | Confident | 84.8 | Confident | 138 Ų | 138 | 56.9 Ų | 56.9 | 65% | 0.645 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -80.2 | -25.1 | -179.6 | -63.7 | -178.1 | 170.2 | 0 | 0 | 112.7 | L994 L1368 V1370 | L994-E996 VanDerWaalsContact C-N 3.32Å; L994-E996 PolarHBondContact O-N 3.31Å; E996-L1368 WeakPolarHBondContact OE2-CD1 3.29Å; E996-V1370 HydrophobicContact CB-CG2 4.09Å |
| 997 | E | 81 | Confident | 84.4 | Confident | 27.5 Ų | 27.5 | 50.5 Ų | 50.5 | 13% | 0.129 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -73 | 131.2 | 179.7 | -73.7 | -78 | -167.9 | 0 | 0 | 111.7 | I832 L994 R999 F1004 R1006 V1370 | I832-E997 HydrophobicContact CD1-CB 4.41Å; I832-E997 HydrophobicContact CD1-CG 4.04Å; L994-E997 PolarHBondContact O-N 3.22Å; E997-R999 PolarHBondContact O-N 3.29Å; E997-F1004 HydrophobicContact CB-CD1 4.09Å; E997-F1004 HydrophobicContact CB-CE1 4.37Å; E997-R1006 IonicContact OE1-CZ 3.26Å; E997-R1006 IonicContact OE1-NE 3.16Å; E997-R1006 PolarHBondContact OE1-NE 3.47Å; E997-R1006 IonicContact OE1-NH2 2.92Å; E997-R1006 PolarHBondContact OE1-NH2 3.39Å; E997-R1006 IonicContact OE2-CZ 3.71Å; E997-R1006 IonicContact OE2-NE 3.3Å; E997-R1006 PolarHBondContact OE2-NE 2.95Å; E997-R1006 VanDerWaalsContact OE2-NE 3.15Å; E997-R1006 IonicContact OE2-NH2 3.13Å; E997-V1370 HydrophobicContact CG-CG1 4.45Å |
| 998 | P | 81.1 | Confident | 83.8 | Confident | 11.25 Ų | 11.25 | 50 Ų | 50 | 7% | 0.073 | 25% | 0.253 | C | S | . | . | trans | -71.8 | 99.8 | -179.2 | 29.5 | -34.4 | 0 | 0 | 0 | 110.6 | L1005 R1006 M1091 L1094 L1373 I1374 | P998-L1005 WeakPolarHBondContact O-CG 3.41Å; P998-L1005 PolarHBondContact O-N 3.15Å; P998-R1006 HydrophobicContact CG-CB 4.22Å; P998-M1091 HydrophobicContact CB-CE 4.33Å; P998-M1091 HydrophobicContact CB-SD 3.65Å; P998-L1094 HydrophobicContact CB-CD1 3.81Å; P998-L1094 HydrophobicContact CG-CD1 3.94Å; P998-L1373 HydrophobicContact CG-CD2 4.21Å; P998-I1374 HydrophobicContact CG-CD1 4.21Å | ||
| 999 | R | 83 | Confident | 83.3 | Confident | 137.5 Ų | 137.5 | 44.3 Ų | 44.3 | 52% | 0.519 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 141.2 | 178.3 | 68.9 | 179.9 | -176.4 | 138.9 | -0.8 | 113.3 | L994 E997 Y1003 F1004 | L994-R999 PolarHBondContact O-NE 3.09Å; E997-R999 PolarHBondContact O-N 3.29Å; R999-Y1003 VanDerWaalsContact CA-O 3.28Å; R999-Y1003 WeakPolarHBondContact CA-O 3.35Å; R999-F1004 HydrophobicContact CB-CD1 3.97Å; R999-F1004 HydrophobicContact CB-CE1 4.17Å |
| 1000 | V | 79.6 | Confident | 82.6 | Confident | 0.25 Ų | 0.25 | 46.2 Ų | 46.2 | 0% | 0.002 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 125 | 169.8 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | N1002 Y1003 L1005 F1046 E1049 L1050 R1053 | V1000-N1002 PolarHBondContact O-N 3.1Å; V1000-N1002 VanDerWaalsContact O-N 3.13Å; V1000-Y1003 PolarHBondContact N-O 3.04Å; V1000-Y1003 PolarHBondContact O-N 3.17Å; V1000-Y1003 VanDerWaalsContact O-N 3.09Å; V1000-L1005 HydrophobicContact CB-CD2 4.29Å; V1000-L1005 HydrophobicContact CG2-CD1 3.91Å; V1000-L1005 HydrophobicContact CG2-CD2 4.25Å; V1000-L1005 HydrophobicContact CG2-CG 4.28Å; V1000-F1046 HydrophobicContact CB-CE2 4.28Å; V1000-F1046 HydrophobicContact CG1-CE2 4.39Å; V1000-F1046 WeakPolarHBondContact O-CE2 3.47Å; V1000-E1049 HydrophobicContact CG1-CB 3.92Å; V1000-L1050 HydrophobicContact CB-CD2 3.89Å; V1000-L1050 HydrophobicContact CG1-CD2 4Å; V1000-L1050 HydrophobicContact CG1-CG 4.4Å; V1000-L1050 HydrophobicContact CG2-CD2 4.01Å; V1000-R1053 HydrophobicContact CG1-CB 4.39Å; V1000-R1053 HydrophobicContact CG2-CB 4.36Å; V1000-R1053 HydrophobicContact CG2-CG 4.06Å |
| 1001 | G | 78.8 | Confident | 81.9 | Confident | 37.8 Ų | 37.8 | 43.1 Ų | 43.1 | 39% | 0.39 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | -120.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 1002 | N | 80.3 | Confident | 81.3 | Confident | 91 Ų | 91 | 42.4 Ų | 42.4 | 49% | 0.487 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | 6.7 | -179 | -57.7 | -38.8 | 0 | 0 | 0 | 113.6 | L706 V1000 | L706-N1002 WeakPolarHBondContact CD1-ND2 3.36Å; V1000-N1002 PolarHBondContact O-N 3.1Å; V1000-N1002 VanDerWaalsContact O-N 3.13Å |
| 1003 | Y | 85.9 | Confident | 80.7 | Confident | 26.6 Ų | 26.6 | 43.9 Ų | 43.9 | 10% | 0.104 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 137.4 | -171.6 | -56.9 | -80.8 | 0 | 0 | 0 | 112.1 | A829 D830 R999 V1000 R1039 I1040 R1041 F1046 | A829-Y1003 CarbonylContact O-C 3.53Å; A829-Y1003 VanDerWaalsContact O-CA 3.24Å; A829-Y1003 WeakPolarHBondContact O-CA 3.23Å; D830-Y1003 HydrophobicContact CB-CD1 4.05Å; D830-Y1003 HydrophobicContact CB-CE1 3.97Å; R999-Y1003 VanDerWaalsContact CA-O 3.28Å; R999-Y1003 WeakPolarHBondContact CA-O 3.35Å; V1000-Y1003 PolarHBondContact N-O 3.04Å; V1000-Y1003 PolarHBondContact O-N 3.17Å; V1000-Y1003 VanDerWaalsContact O-N 3.09Å; Y1003-R1039 PolarHBondContact OH-O 3.2Å; Y1003-R1039 VanDerWaalsContact OH-O 3.13Å; Y1003-I1040 HydrophobicContact CD1-CG1 4.47Å; Y1003-I1040 HydrophobicContact CE1-CG1 4.07Å; Y1003-I1040 HydrophobicContact CE2-CG2 4.39Å; Y1003-I1040 WeakPolarHBondContact OH-CA 3.39Å; Y1003-R1041 PolarHBondContact OH-N 3.28Å; Y1003-F1046 HydrophobicContact CD2-CD1 4.27Å; Y1003-F1046 AromaticContact CD2-CD2 3.44Å; Y1003-F1046 HydrophobicContact CD2-CD2 3.44Å; Y1003-F1046 VanDerWaalsContact CD2-CD2 3.44Å; Y1003-F1046 HydrophobicContact CD2-CE1 4.3Å; Y1003-F1046 AromaticContact CD2-CE2 3.51Å; Y1003-F1046 HydrophobicContact CD2-CE2 3.51Å; Y1003-F1046 VanDerWaalsContact CD2-CE2 3.47Å; Y1003-F1046 AromaticContact CD2-CG 3.85Å; Y1003-F1046 HydrophobicContact CD2-CG 3.85Å; Y1003-F1046 AromaticContact CD2-CZ 3.9Å; Y1003-F1046 HydrophobicContact CD2-CZ 3.95Å; Y1003-F1046 HydrophobicContact CE2-CB 4.36Å; Y1003-F1046 HydrophobicContact CE2-CD1 4.46Å; Y1003-F1046 AromaticContact CE2-CD2 4Å; Y1003-F1046 HydrophobicContact CE2-CD2 4.05Å; Y1003-F1046 HydrophobicContact CE2-CE2 4.47Å; Y1003-F1046 HydrophobicContact CE2-CG 4.1Å; Y1003-F1046 HydrophobicContact CG-CD2 4.33Å; Y1003-F1046 HydrophobicContact CG-CE1 4.38Å; Y1003-F1046 AromaticContact CG-CE2 3.92Å; Y1003-F1046 HydrophobicContact CG-CE2 3.98Å; Y1003-F1046 AromaticContact CG-CZ 3.93Å; Y1003-F1046 HydrophobicContact CG-CZ 4.02Å |
| 1004 | F | 86.7 | Confident | 80 | Confident | 14.2 Ų | 14.2 | 48 Ų | 48 | 6% | 0.062 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 111.7 | 177.6 | -60.8 | -81.2 | 0 | 0 | 0 | 109.5 | A829 I832 L994 E997 R999 R1006 L1007 L1008 | A829-F1004 PolarHBondContact O-N 3.24Å; I832-F1004 HydrophobicContact CB-CE2 4.1Å; I832-F1004 HydrophobicContact CB-CZ 4.1Å; I832-F1004 HydrophobicContact CD1-CB 4.31Å; I832-F1004 HydrophobicContact CD1-CD1 3.5Å; I832-F1004 VanDerWaalsContact CD1-CD1 3.49Å; I832-F1004 HydrophobicContact CD1-CD2 3.97Å; I832-F1004 HydrophobicContact CD1-CE1 3.68Å; I832-F1004 HydrophobicContact CD1-CE2 4.14Å; I832-F1004 HydrophobicContact CD1-CG 3.65Å; I832-F1004 HydrophobicContact CD1-CZ 4Å; I832-F1004 HydrophobicContact CG1-CD1 4.2Å; I832-F1004 HydrophobicContact CG1-CD2 3.75Å; I832-F1004 HydrophobicContact CG1-CE1 4.19Å; I832-F1004 HydrophobicContact CG1-CE2 3.76Å; I832-F1004 HydrophobicContact CG1-CG 3.98Å; I832-F1004 HydrophobicContact CG1-CZ 3.98Å; L994-F1004 HydrophobicContact CD1-CZ 4.28Å; L994-F1004 HydrophobicContact CD2-CE1 4.41Å; E997-F1004 HydrophobicContact CB-CD1 4.09Å; E997-F1004 HydrophobicContact CB-CE1 4.37Å; R999-F1004 HydrophobicContact CB-CD1 3.97Å; R999-F1004 HydrophobicContact CB-CE1 4.17Å; F1004-R1006 VanDerWaalsContact C-N 3.29Å; F1004-R1006 PolarHBondContact O-N 3.27Å; F1004-L1007 HydrophobicContact CB-CB 4.39Å; F1004-L1007 HydrophobicContact CB-CD1 4.23Å; F1004-L1007 HydrophobicContact CB-CG 4.46Å; F1004-L1007 PolarHBondContact O-N 3.07Å; F1004-L1008 WeakPolarHBondContact O-CB 3.33Å; F1004-L1008 PolarHBondContact O-N 3.17Å |
| 1005 | L | 84.6 | Confident | 79.3 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64 | -35.7 | -171.1 | -56.8 | -171.5 | 0 | 0 | 0 | 112.3 | P998 V1000 L1008 L1009 F1046 L1050 L1094 A1098 | P998-L1005 WeakPolarHBondContact O-CG 3.41Å; P998-L1005 PolarHBondContact O-N 3.15Å; V1000-L1005 HydrophobicContact CB-CD2 4.29Å; V1000-L1005 HydrophobicContact CG2-CD1 3.91Å; V1000-L1005 HydrophobicContact CG2-CD2 4.25Å; V1000-L1005 HydrophobicContact CG2-CG 4.28Å; L1005-L1008 PolarHBondContact O-N 3.03Å; L1005-L1009 WeakPolarHBondContact O-CB 3.38Å; L1005-L1009 VanDerWaalsContact O-CG 3.26Å; L1005-L1009 WeakPolarHBondContact O-CG 3.36Å; L1005-L1009 PolarHBondContact O-N 3.16Å; L1005-F1046 HydrophobicContact CD2-CZ 4.15Å; L1005-L1050 HydrophobicContact CD1-CD2 4.34Å; L1005-L1050 HydrophobicContact CD2-CD2 3.57Å; L1005-L1094 HydrophobicContact CD1-CB 3.88Å; L1005-A1098 HydrophobicContact CD2-CB 3.94Å |
| 1006 | R | 81.6 | Confident | 78.7 | Confident | 43.8 Ų | 43.8 | 45.5 Ų | 45.5 | 17% | 0.165 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.4 | -52.2 | 177.7 | -177 | 179.7 | 65.3 | 78.2 | -5.3 | 111.3 | E997 P998 F1004 L1008 L1009 E1010 L1373 | E997-R1006 IonicContact OE1-CZ 3.26Å; E997-R1006 IonicContact OE1-NE 3.16Å; E997-R1006 PolarHBondContact OE1-NE 3.47Å; E997-R1006 IonicContact OE1-NH2 2.92Å; E997-R1006 PolarHBondContact OE1-NH2 3.39Å; E997-R1006 IonicContact OE2-CZ 3.71Å; E997-R1006 IonicContact OE2-NE 3.3Å; E997-R1006 PolarHBondContact OE2-NE 2.95Å; E997-R1006 VanDerWaalsContact OE2-NE 3.15Å; E997-R1006 IonicContact OE2-NH2 3.13Å; P998-R1006 HydrophobicContact CG-CB 4.22Å; F1004-R1006 VanDerWaalsContact C-N 3.29Å; F1004-R1006 PolarHBondContact O-N 3.27Å; R1006-L1008 VanDerWaalsContact C-N 3.31Å; R1006-L1008 PolarHBondContact O-N 3.21Å; R1006-L1009 PolarHBondContact O-N 3.17Å; R1006-E1010 WeakPolarHBondContact CD-OE1 3.48Å; R1006-E1010 HydrophobicContact CG-CG 4.46Å; R1006-E1010 VanDerWaalsContact CG-OE1 3.3Å; R1006-E1010 WeakPolarHBondContact CG-OE1 3.36Å; R1006-E1010 IonicContact CZ-OE1 3.14Å; R1006-E1010 VanDerWaalsContact NH1-CD 3.29Å; R1006-E1010 IonicContact NH1-OE1 2.9Å; R1006-E1010 PolarHBondContact NH1-OE1 3.11Å; R1006-E1010 IonicContact NH1-OE2 3.12Å; R1006-E1010 PolarHBondContact NH1-OE2 3.09Å; R1006-E1010 VanDerWaalsContact NH1-OE2 3.12Å; R1006-E1010 WeakPolarHBondContact O-CB 3.32Å; R1006-E1010 WeakPolarHBondContact O-CG 3.4Å; R1006-E1010 PolarHBondContact O-N 3.19Å; R1006-L1373 HydrophobicContact CB-CD2 4.1Å; R1006-L1373 HydrophobicContact CG-CB 3.99Å; R1006-L1373 HydrophobicContact CG-CD1 4.31Å; R1006-L1373 HydrophobicContact CG-CD2 3.87Å; R1006-L1373 HydrophobicContact CG-CG 4.49Å; R1006-L1373 WeakPolarHBondContact O-CD2 3.32Å |
| 1007 | L | 81.4 | Confident | 78.2 | Confident | 12.4 Ų | 12.4 | 43.6 Ų | 43.6 | 7% | 0.065 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.5 | -36.1 | -179.7 | -66.5 | 174.1 | 0 | 0 | 0 | 111.8 | A827 K828 I832 F1004 L1009 E1010 E1011 | A827-L1007 HydrophobicContact CB-CD1 4.49Å; A827-L1007 HydrophobicContact CB-CD2 4.46Å; K828-L1007 VanDerWaalsContact O-CD1 3.26Å; K828-L1007 WeakPolarHBondContact O-CD1 3.32Å; I832-L1007 HydrophobicContact CD1-CD1 3.81Å; I832-L1007 HydrophobicContact CG1-CD1 3.53Å; I832-L1007 VanDerWaalsContact CG1-CD1 3.49Å; F1004-L1007 HydrophobicContact CB-CB 4.39Å; F1004-L1007 HydrophobicContact CB-CD1 4.23Å; F1004-L1007 HydrophobicContact CB-CG 4.46Å; F1004-L1007 PolarHBondContact O-N 3.07Å; L1007-L1009 VanDerWaalsContact C-N 3.34Å; L1007-L1009 PolarHBondContact O-N 3.16Å; L1007-E1010 WeakPolarHBondContact CD2-OE2 3.42Å; L1007-E1010 PolarHBondContact O-N 3.13Å; L1007-E1011 VanDerWaalsContact O-CB 3.26Å; L1007-E1011 WeakPolarHBondContact O-CB 3.25Å; L1007-E1011 VanDerWaalsContact O-CG 3.22Å; L1007-E1011 WeakPolarHBondContact O-CG 3.34Å; L1007-E1011 PolarHBondContact O-N 2.83Å |
| 1008 | L | 83.1 | Confident | 77.4 | Confident | 2.4 Ų | 2.4 | 45.8 Ų | 45.8 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.8 | -44 | 173.9 | -177.2 | 68.6 | 0 | 0 | 0 | 112.2 | A829 F1004 L1005 R1006 D1012 L1037 I1040 F1046 A1098 V1102 | A829-L1008 HydrophobicContact CB-CB 4.16Å; A829-L1008 HydrophobicContact CB-CD1 4.14Å; F1004-L1008 WeakPolarHBondContact O-CB 3.33Å; F1004-L1008 PolarHBondContact O-N 3.17Å; L1005-L1008 PolarHBondContact O-N 3.03Å; R1006-L1008 VanDerWaalsContact C-N 3.31Å; R1006-L1008 PolarHBondContact O-N 3.21Å; L1008-D1012 PolarHBondContact O-N 3.14Å; L1008-L1037 HydrophobicContact CD1-CD2 3.5Å; L1008-L1037 VanDerWaalsContact CD1-CD2 3.44Å; L1008-I1040 HydrophobicContact CD1-CD1 4.38Å; L1008-F1046 HydrophobicContact CD2-CE1 3.87Å; L1008-F1046 HydrophobicContact CD2-CZ 4.09Å; L1008-A1098 HydrophobicContact CD2-CB 4.13Å; L1008-V1102 HydrophobicContact CD2-CG2 4.34Å |
| 1009 | L | 81.7 | Confident | 76.3 | Confident | 4.8 Ų | 4.8 | 47.1 Ų | 47.1 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -76.3 | -34.9 | 179.7 | -65.3 | 176.6 | 0 | 0 | 0 | 112.5 | L1005 R1006 L1007 D1012 R1013 L1094 H1097 V1101 L1373 L1377 | L1005-L1009 WeakPolarHBondContact O-CB 3.38Å; L1005-L1009 VanDerWaalsContact O-CG 3.26Å; L1005-L1009 WeakPolarHBondContact O-CG 3.36Å; L1005-L1009 PolarHBondContact O-N 3.16Å; R1006-L1009 PolarHBondContact O-N 3.17Å; L1007-L1009 VanDerWaalsContact C-N 3.34Å; L1007-L1009 PolarHBondContact O-N 3.16Å; L1009-D1012 PolarHBondContact O-N 3.03Å; L1009-R1013 WeakPolarHBondContact O-CB 3.35Å; L1009-R1013 VanDerWaalsContact O-CG 3.3Å; L1009-R1013 WeakPolarHBondContact O-CG 3.39Å; L1009-R1013 PolarHBondContact O-N 3.13Å; L1009-L1094 HydrophobicContact CD1-CD2 3.62Å; L1009-H1097 HydrophobicContact CD1-CB 4.27Å; L1009-H1097 HydrophobicContact CD2-CB 4.24Å; L1009-V1101 HydrophobicContact CD2-CG2 3.83Å; L1009-L1373 HydrophobicContact CB-CD2 4.23Å; L1009-L1377 HydrophobicContact CD1-CD1 4.29Å |
| 1010 | E | 77.9 | Confident | 75 | Confident | 50 Ų | 50 | 46.1 Ų | 46.1 | 23% | 0.234 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.6 | -45.8 | 170.3 | -84.9 | 163.8 | -154.3 | 0 | 0 | 111.1 | R1006 L1007 D1012 R1013 H1014 L1373 | R1006-E1010 WeakPolarHBondContact CD-OE1 3.48Å; R1006-E1010 HydrophobicContact CG-CG 4.46Å; R1006-E1010 VanDerWaalsContact CG-OE1 3.3Å; R1006-E1010 WeakPolarHBondContact CG-OE1 3.36Å; R1006-E1010 IonicContact CZ-OE1 3.14Å; R1006-E1010 VanDerWaalsContact NH1-CD 3.29Å; R1006-E1010 IonicContact NH1-OE1 2.9Å; R1006-E1010 PolarHBondContact NH1-OE1 3.11Å; R1006-E1010 IonicContact NH1-OE2 3.12Å; R1006-E1010 PolarHBondContact NH1-OE2 3.09Å; R1006-E1010 VanDerWaalsContact NH1-OE2 3.12Å; R1006-E1010 WeakPolarHBondContact O-CB 3.32Å; R1006-E1010 WeakPolarHBondContact O-CG 3.4Å; R1006-E1010 PolarHBondContact O-N 3.19Å; L1007-E1010 WeakPolarHBondContact CD2-OE2 3.42Å; L1007-E1010 PolarHBondContact O-N 3.13Å; E1010-D1012 VanDerWaalsContact C-N 3.35Å; E1010-D1012 PolarHBondContact O-N 3.12Å; E1010-R1013 PolarHBondContact O-N 3Å; E1010-H1014 WeakPolarHBondContact O-CB 3.2Å; E1010-H1014 PolarHBondContact O-CD2 3.22Å; E1010-H1014 VanDerWaalsContact O-CD2 3.27Å; E1010-H1014 PolarHBondContact O-N 3.18Å; E1010-L1373 HydrophobicContact CB-CD2 4.3Å; E1010-L1373 HydrophobicContact CG-CB 4.29Å; E1010-L1373 HydrophobicContact CG-CD1 3.68Å; E1010-L1373 HydrophobicContact CG-CD2 3.68Å; E1010-L1373 HydrophobicContact CG-CG 4.11Å; E1010-L1373 WeakPolarHBondContact OE1-CB 3.38Å |
| 1011 | E | 74.7 | Confident | 73.9 | Confident | 46.2 Ų | 46.2 | 49.2 Ų | 49.2 | 22% | 0.216 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 176.9 | -136.5 | 173.4 | -159.8 | 0 | 0 | 111.5 | A829 L1007 H1014 V1015 G1036 R1039 | A829-E1011 PolarHBondContact N-OE1 3.26Å; L1007-E1011 VanDerWaalsContact O-CB 3.26Å; L1007-E1011 WeakPolarHBondContact O-CB 3.25Å; L1007-E1011 VanDerWaalsContact O-CG 3.22Å; L1007-E1011 WeakPolarHBondContact O-CG 3.34Å; L1007-E1011 PolarHBondContact O-N 2.83Å; E1011-H1014 PolarHBondContact O-N 3.01Å; E1011-V1015 WeakPolarHBondContact O-CB 3.36Å; E1011-V1015 VanDerWaalsContact O-CG2 3.26Å; E1011-V1015 WeakPolarHBondContact O-CG2 3.36Å; E1011-V1015 PolarHBondContact O-N 3.15Å; E1011-G1036 WeakPolarHBondContact OE1-CA 3.29Å; E1011-R1039 IonicContact OE1-CZ 3.66Å; E1011-R1039 IonicContact OE1-NH2 3.6Å; E1011-R1039 PolarHBondContact OE1-NH2 3.41Å; E1011-R1039 IonicContact OE2-CZ 3.8Å; E1011-R1039 IonicContact OE2-NE 3.78Å; E1011-R1039 IonicContact OE2-NH2 2.73Å; E1011-R1039 PolarHBondContact OE2-NH2 3.35Å; E1011-R1039 VanDerWaalsContact OE2-NH2 3.08Å |
| 1012 | D | 76.8 | Confident | 72.7 | Confident | 14.8 Ų | 14.8 | 50.2 Ų | 50.2 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 175.7 | -172 | 76.4 | 0 | 0 | 0 | 112.3 | L1008 L1009 E1010 H1014 V1015 N1016 V1101 R1105 | L1008-D1012 PolarHBondContact O-N 3.14Å; L1009-D1012 PolarHBondContact O-N 3.03Å; E1010-D1012 VanDerWaalsContact C-N 3.35Å; E1010-D1012 PolarHBondContact O-N 3.12Å; D1012-H1014 PolarHBondContact O-N 2.95Å; D1012-V1015 PolarHBondContact O-N 3.12Å; D1012-N1016 VanDerWaalsContact O-CG 3.26Å; D1012-N1016 PolarHBondContact O-N 3.28Å; D1012-N1016 PolarHBondContact O-ND2 3.17Å; D1012-N1016 VanDerWaalsContact O-ND2 3.15Å; D1012-N1016 PolarHBondContact OD2-ND2 3.08Å; D1012-V1101 HydrophobicContact CB-CG1 3.79Å; D1012-V1101 HydrophobicContact CB-CG2 4.11Å; D1012-V1101 VanDerWaalsContact OD1-CG1 3.29Å; D1012-V1101 WeakPolarHBondContact OD1-CG1 3.36Å; D1012-V1101 WeakPolarHBondContact OD2-CG2 3.39Å; D1012-R1105 IonicContact OD1-CZ 3.62Å; D1012-R1105 VanDerWaalsContact OD1-CZ 3.3Å; D1012-R1105 IonicContact OD1-NE 3.5Å; D1012-R1105 PolarHBondContact OD1-NE 2.92Å; D1012-R1105 VanDerWaalsContact OD1-NE 3.12Å; D1012-R1105 IonicContact OD1-NH2 3.27Å; D1012-R1105 PolarHBondContact OD1-NH2 3.2Å |
| 1013 | R | 74.1 | Confident | 71.4 | Confident | 106.8 Ų | 106.8 | 50.7 Ų | 50.7 | 40% | 0.403 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.6 | -48 | 175.7 | -142.3 | 177.7 | 172.9 | 172.8 | 1.5 | 111.8 | L1009 E1010 V1015 N1016 E1017 L1373 L1377 | L1009-R1013 WeakPolarHBondContact O-CB 3.35Å; L1009-R1013 VanDerWaalsContact O-CG 3.3Å; L1009-R1013 WeakPolarHBondContact O-CG 3.39Å; L1009-R1013 PolarHBondContact O-N 3.13Å; E1010-R1013 PolarHBondContact O-N 3Å; R1013-V1015 VanDerWaalsContact C-N 3.32Å; R1013-V1015 PolarHBondContact O-N 3.29Å; R1013-N1016 PolarHBondContact O-N 3.27Å; R1013-E1017 HydrophobicContact CG-CG 4.46Å; R1013-E1017 WeakPolarHBondContact CG-OE1 3.38Å; R1013-E1017 IonicContact CZ-OE1 3.51Å; R1013-E1017 VanDerWaalsContact CZ-OE1 3.26Å; R1013-E1017 IonicContact NE-OE1 3.09Å; R1013-E1017 PolarHBondContact NE-OE1 3.16Å; R1013-E1017 IonicContact NH2-OE1 3.1Å; R1013-E1017 PolarHBondContact NH2-OE1 3.12Å; R1013-E1017 WeakPolarHBondContact O-CG 3.4Å; R1013-E1017 PolarHBondContact O-N 3.15Å; R1013-L1373 VanDerWaalsContact NH1-CD1 3.28Å; R1013-L1377 VanDerWaalsContact CZ-CD2 3.44Å; R1013-L1377 PolarHBondContact NH2-O 2.69Å |
| 1014 | H | 70.2 | Confident | 69.7 | Low | 110.6 Ų | 110.6 | 56.7 Ų | 56.7 | 51% | 0.512 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 177.9 | -73.4 | -45.1 | 0 | 0 | 0 | 112.5 | E1010 E1011 D1012 N1016 E1017 V1018 | E1010-H1014 WeakPolarHBondContact O-CB 3.2Å; E1010-H1014 PolarHBondContact O-CD2 3.22Å; E1010-H1014 VanDerWaalsContact O-CD2 3.27Å; E1010-H1014 PolarHBondContact O-N 3.18Å; E1011-H1014 PolarHBondContact O-N 3.01Å; D1012-H1014 PolarHBondContact O-N 2.95Å; H1014-N1016 VanDerWaalsContact C-N 3.35Å; H1014-E1017 IonicContact CE1-OE2 3.44Å; H1014-E1017 IonicContact CG-OE2 2.94Å; H1014-E1017 IonicContact ND1-OE2 3.04Å; H1014-E1017 PolarHBondContact ND1-OE2 3.02Å; H1014-E1017 PolarHBondContact O-N 3.2Å; H1014-V1018 WeakPolarHBondContact O-CB 3.37Å; H1014-V1018 VanDerWaalsContact O-CG2 3.24Å; H1014-V1018 WeakPolarHBondContact O-CG2 3.33Å; H1014-V1018 PolarHBondContact O-N 3.07Å |
| 1015 | V | 68.7 | Low | 67.9 | Low | 17.2 Ų | 17.2 | 60.9 Ų | 60.9 | 10% | 0.104 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 173.7 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | E1011 D1012 R1013 V1018 I1019 V1032 | E1011-V1015 WeakPolarHBondContact O-CB 3.36Å; E1011-V1015 VanDerWaalsContact O-CG2 3.26Å; E1011-V1015 WeakPolarHBondContact O-CG2 3.36Å; E1011-V1015 PolarHBondContact O-N 3.15Å; D1012-V1015 PolarHBondContact O-N 3.12Å; R1013-V1015 VanDerWaalsContact C-N 3.32Å; R1013-V1015 PolarHBondContact O-N 3.29Å; V1015-V1018 PolarHBondContact O-N 3.12Å; V1015-I1019 HydrophobicContact CG1-CD1 3.71Å; V1015-I1019 HydrophobicContact CG1-CG1 4.36Å; V1015-I1019 WeakPolarHBondContact O-CD1 3.25Å; V1015-I1019 VanDerWaalsContact O-CG1 3.24Å; V1015-I1019 WeakPolarHBondContact O-CG1 3.28Å; V1015-I1019 PolarHBondContact O-N 2.99Å; V1015-V1032 HydrophobicContact CG1-CG1 4.37Å |
| 1016 | N | 66.6 | Low | 65.9 | Low | 61.6 Ų | 61.6 | 68.1 Ų | 68.1 | 33% | 0.329 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 177.3 | -63.9 | -31.1 | 0 | 0 | 0 | 111.7 | D1012 R1013 H1014 V1018 I1019 D1020 | D1012-N1016 VanDerWaalsContact O-CG 3.26Å; D1012-N1016 PolarHBondContact O-N 3.28Å; D1012-N1016 PolarHBondContact O-ND2 3.17Å; D1012-N1016 VanDerWaalsContact O-ND2 3.15Å; D1012-N1016 PolarHBondContact OD2-ND2 3.08Å; R1013-N1016 PolarHBondContact O-N 3.27Å; H1014-N1016 VanDerWaalsContact C-N 3.35Å; N1016-V1018 VanDerWaalsContact C-N 3.3Å; N1016-V1018 PolarHBondContact O-N 2.94Å; N1016-I1019 PolarHBondContact O-N 3.08Å; N1016-I1019 VanDerWaalsContact O-N 3.16Å; N1016-D1020 PolarHBondContact O-N 3.09Å |
| 1017 | E | 64.4 | Low | 64.3 | Low | 98 Ų | 98 | 70.4 Ų | 70.4 | 46% | 0.458 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.4 | -38.2 | 173.9 | -72.1 | 169.9 | 176.7 | 0 | 0 | 112 | R1013 H1014 D1020 A1021 | R1013-E1017 HydrophobicContact CG-CG 4.46Å; R1013-E1017 WeakPolarHBondContact CG-OE1 3.38Å; R1013-E1017 IonicContact CZ-OE1 3.51Å; R1013-E1017 VanDerWaalsContact CZ-OE1 3.26Å; R1013-E1017 IonicContact NE-OE1 3.09Å; R1013-E1017 PolarHBondContact NE-OE1 3.16Å; R1013-E1017 IonicContact NH2-OE1 3.1Å; R1013-E1017 PolarHBondContact NH2-OE1 3.12Å; R1013-E1017 WeakPolarHBondContact O-CG 3.4Å; R1013-E1017 PolarHBondContact O-N 3.15Å; H1014-E1017 IonicContact CE1-OE2 3.44Å; H1014-E1017 IonicContact CG-OE2 2.94Å; H1014-E1017 IonicContact ND1-OE2 3.04Å; H1014-E1017 PolarHBondContact ND1-OE2 3.02Å; H1014-E1017 PolarHBondContact O-N 3.2Å; E1017-D1020 PolarHBondContact O-N 3.06Å; E1017-A1021 WeakPolarHBondContact O-CB 3.37Å; E1017-A1021 PolarHBondContact O-N 3.22Å |
| 1018 | V | 63.4 | Low | 62.5 | Low | 74.2 Ų | 74.2 | 76.1 Ų | 76.1 | 45% | 0.45 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.8 | -37.8 | 174.6 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | H1014 V1015 N1016 D1020 A1021 T1022 V1032 | H1014-V1018 WeakPolarHBondContact O-CB 3.37Å; H1014-V1018 VanDerWaalsContact O-CG2 3.24Å; H1014-V1018 WeakPolarHBondContact O-CG2 3.33Å; H1014-V1018 PolarHBondContact O-N 3.07Å; V1015-V1018 PolarHBondContact O-N 3.12Å; N1016-V1018 VanDerWaalsContact C-N 3.3Å; N1016-V1018 PolarHBondContact O-N 2.94Å; V1018-D1020 VanDerWaalsContact C-N 3.33Å; V1018-A1021 PolarHBondContact O-N 3.18Å; V1018-T1022 HydrophobicContact CG1-CG2 4.07Å; V1018-T1022 VanDerWaalsContact O-CB 3.29Å; V1018-T1022 WeakPolarHBondContact O-CB 3.38Å; V1018-T1022 VanDerWaalsContact O-CG2 3.3Å; V1018-T1022 WeakPolarHBondContact O-CG2 3.3Å; V1018-T1022 PolarHBondContact O-N 3.08Å; V1018-T1022 PolarHBondContact O-OG1 3.17Å; V1018-V1032 HydrophobicContact CG1-CG1 4.34Å |
| 1019 | I | 58.8 | Low | 60.9 | Low | 38.8 Ų | 38.8 | 79.3 Ų | 79.3 | 20% | 0.199 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 174.8 | -69.7 | 163.4 | 0 | 0 | 0 | 110 | V1015 N1016 A1021 T1022 T1023 V1032 L1033 | V1015-I1019 HydrophobicContact CG1-CD1 3.71Å; V1015-I1019 HydrophobicContact CG1-CG1 4.36Å; V1015-I1019 WeakPolarHBondContact O-CD1 3.25Å; V1015-I1019 VanDerWaalsContact O-CG1 3.24Å; V1015-I1019 WeakPolarHBondContact O-CG1 3.28Å; V1015-I1019 PolarHBondContact O-N 2.99Å; N1016-I1019 PolarHBondContact O-N 3.08Å; N1016-I1019 VanDerWaalsContact O-N 3.16Å; I1019-A1021 VanDerWaalsContact C-N 3.29Å; I1019-A1021 PolarHBondContact O-N 3.21Å; I1019-T1022 WeakPolarHBondContact CA-OG1 3.34Å; I1019-T1022 PolarHBondContact O-N 3.08Å; I1019-T1022 PolarHBondContact O-OG1 3.14Å; I1019-T1023 HydrophobicContact CG2-CG2 4.03Å; I1019-T1023 VanDerWaalsContact O-CB 3.29Å; I1019-T1023 WeakPolarHBondContact O-CB 3.31Å; I1019-T1023 VanDerWaalsContact O-CG2 3.3Å; I1019-T1023 WeakPolarHBondContact O-CG2 3.35Å; I1019-T1023 PolarHBondContact O-N 2.94Å; I1019-T1023 PolarHBondContact O-OG1 3.14Å; I1019-V1032 HydrophobicContact CD1-CG1 4.28Å; I1019-V1032 HydrophobicContact CG1-CB 4.49Å; I1019-V1032 HydrophobicContact CG1-CG1 3.89Å; I1019-L1033 HydrophobicContact CD1-CD2 3.88Å |
| 1020 | D | 55.2 | Low | 59.3 | Low | 116.2 Ų | 116.2 | 85.6 Ų | 85.6 | 62% | 0.621 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.9 | -33 | 177.5 | -69 | -17.1 | 0 | 0 | 0 | 111.9 | N1016 E1017 V1018 T1023 | N1016-D1020 PolarHBondContact O-N 3.09Å; E1017-D1020 PolarHBondContact O-N 3.06Å; V1018-D1020 VanDerWaalsContact C-N 3.33Å; D1020-T1023 PolarHBondContact O-OG1 3.12Å; D1020-T1023 VanDerWaalsContact O-OG1 3.1Å |
| 1021 | A | 56.6 | Low | 57.7 | Low | 66.2 Ų | 66.2 | 90.3 Ų | 90.3 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -76.4 | -35.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1017 V1018 I1019 | E1017-A1021 WeakPolarHBondContact O-CB 3.37Å; E1017-A1021 PolarHBondContact O-N 3.22Å; V1018-A1021 PolarHBondContact O-N 3.18Å; I1019-A1021 VanDerWaalsContact C-N 3.29Å; I1019-A1021 PolarHBondContact O-N 3.21Å |
| 1022 | T | 55 | Low | 56.5 | Low | 57.8 Ų | 57.8 | 89.8 Ų | 89.8 | 36% | 0.355 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -90.5 | -17.4 | -175.5 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | V1018 I1019 L1024 T1025 N1026 | V1018-T1022 HydrophobicContact CG1-CG2 4.07Å; V1018-T1022 VanDerWaalsContact O-CB 3.29Å; V1018-T1022 WeakPolarHBondContact O-CB 3.38Å; V1018-T1022 VanDerWaalsContact O-CG2 3.3Å; V1018-T1022 WeakPolarHBondContact O-CG2 3.3Å; V1018-T1022 PolarHBondContact O-N 3.08Å; V1018-T1022 PolarHBondContact O-OG1 3.17Å; I1019-T1022 WeakPolarHBondContact CA-OG1 3.34Å; I1019-T1022 PolarHBondContact O-N 3.08Å; I1019-T1022 PolarHBondContact O-OG1 3.14Å; T1022-L1024 PolarHBondContact O-N 3.16Å; T1022-L1024 VanDerWaalsContact O-N 3.14Å; T1022-T1025 CarbonylContact O-C 3.47Å; T1022-T1025 VanDerWaalsContact O-C 3.3Å; T1022-T1025 WeakPolarHBondContact O-CA 3.41Å; T1022-T1025 PolarHBondContact O-N 3.09Å; T1022-T1025 VanDerWaalsContact O-O 3.1Å; T1022-T1025 PolarHBondContact O-OG1 2.96Å; T1022-N1026 PolarHBondContact O-N 2.84Å |
| 1023 | T | 52.2 | Low | 55.1 | Low | 102.2 Ų | 102.2 | 93.1 Ų | 93.1 | 63% | 0.627 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -10.4 | 171.8 | 41.9 | 0 | 0 | 0 | 0 | 113.1 | I1019 D1020 T1025 | I1019-T1023 HydrophobicContact CG2-CG2 4.03Å; I1019-T1023 VanDerWaalsContact O-CB 3.29Å; I1019-T1023 WeakPolarHBondContact O-CB 3.31Å; I1019-T1023 VanDerWaalsContact O-CG2 3.3Å; I1019-T1023 WeakPolarHBondContact O-CG2 3.35Å; I1019-T1023 PolarHBondContact O-N 2.94Å; I1019-T1023 PolarHBondContact O-OG1 3.14Å; D1020-T1023 PolarHBondContact O-OG1 3.12Å; D1020-T1023 VanDerWaalsContact O-OG1 3.1Å; T1023-T1025 VanDerWaalsContact C-N 3.3Å; T1023-T1025 PolarHBondContact O-N 3.16Å |
| 1024 | L | 50.2 | Low | 53.8 | Low | 152.2 Ų | 152.2 | 90.8 Ų | 90.8 | 80% | 0.797 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -12.4 | 165.4 | -78.9 | 154.6 | 0 | 0 | 0 | 114 | T1022 | T1022-L1024 PolarHBondContact O-N 3.16Å; T1022-L1024 VanDerWaalsContact O-N 3.14Å |
| 1025 | T | 48.5 | Very low | 52.9 | Low | 101.8 Ų | 101.8 | 91.3 Ų | 91.3 | 63% | 0.625 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -147.1 | 78.4 | -177.2 | 57.5 | 0 | 0 | 0 | 0 | 115.6 | T1022 T1023 | T1022-T1025 CarbonylContact O-C 3.47Å; T1022-T1025 VanDerWaalsContact O-C 3.3Å; T1022-T1025 WeakPolarHBondContact O-CA 3.41Å; T1022-T1025 PolarHBondContact O-N 3.09Å; T1022-T1025 VanDerWaalsContact O-O 3.1Å; T1022-T1025 PolarHBondContact O-OG1 2.96Å; T1023-T1025 VanDerWaalsContact C-N 3.3Å; T1023-T1025 PolarHBondContact O-N 3.16Å |
| 1026 | N | 43.7 | Very low | 52.1 | Low | 152.2 Ų | 152.2 | 90.8 Ų | 90.8 | 81% | 0.814 | 52% | 0.521 | S | S | * | . | trans | 127.6 | 144.1 | 162.5 | -82.3 | -36.1 | 0 | 0 | 0 | 117.1 | T1022 N1028 | T1022-N1026 PolarHBondContact O-N 2.84Å; N1026-N1028 VanDerWaalsContact C-N 3.31Å; N1026-N1028 PolarHBondContact O-N 3.24Å; N1026-N1028 VanDerWaalsContact O-N 3.15Å | ||
| 1027 | A | 47.1 | Very low | 51.6 | Low | 92.2 Ų | 92.2 | 88.6 Ų | 88.6 | 76% | 0.762 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -94.1 | 15.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | S1029 | A1027-S1029 VanDerWaalsContact C-N 3.29Å; A1027-S1029 PolarHBondContact O-N 3.11Å |
| 1028 | N | 44.3 | Very low | 51.3 | Low | 131.4 Ų | 131.4 | 88.4 Ų | 88.4 | 70% | 0.703 | 52% | 0.518 | S | S | * | . | trans | -96.9 | 28.1 | -176.6 | -73.7 | -2.3 | 0 | 0 | 0 | 114 | N1026 N1030 H1031 V1032 | N1026-N1028 VanDerWaalsContact C-N 3.31Å; N1026-N1028 PolarHBondContact O-N 3.24Å; N1026-N1028 VanDerWaalsContact O-N 3.15Å; N1028-N1030 VanDerWaalsContact C-N 3.29Å; N1028-N1030 PolarHBondContact O-N 3.13Å; N1028-H1031 PolarHBondContact O-N 3.14Å; N1028-V1032 WeakPolarHBondContact O-CG2 3.23Å | ||
| 1029 | S | 48.6 | Very low | 51.5 | Low | 70.4 Ų | 70.4 | 89.1 Ų | 89.1 | 49% | 0.492 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.6 | -33.3 | -172.1 | 54.9 | 0 | 0 | 0 | 0 | 114.5 | A1027 H1031 V1032 L1033 | A1027-S1029 VanDerWaalsContact C-N 3.29Å; A1027-S1029 PolarHBondContact O-N 3.11Å; S1029-H1031 VanDerWaalsContact C-N 3.28Å; S1029-H1031 PolarHBondContact O-N 3.04Å; S1029-V1032 PolarHBondContact O-N 3.05Å; S1029-L1033 WeakPolarHBondContact O-CG 3.46Å; S1029-L1033 PolarHBondContact O-N 3.17Å |
| 1030 | N | 48.1 | Very low | 52 | Low | 135.8 Ų | 135.8 | 88 Ų | 88 | 73% | 0.726 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.6 | -30.7 | -175.5 | -70.3 | -8.4 | 0 | 0 | 0 | 113.3 | N1028 | N1028-N1030 VanDerWaalsContact C-N 3.29Å; N1028-N1030 PolarHBondContact O-N 3.13Å |
| 1031 | H | 45.4 | Very low | 52.8 | Low | 150.2 Ų | 150.2 | 91.1 Ų | 91.1 | 70% | 0.695 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -82.3 | -23.3 | -178.7 | -139.7 | -65.6 | 0 | 0 | 0 | 112.9 | N1028 S1029 S1034 M1035 | N1028-H1031 PolarHBondContact O-N 3.14Å; S1029-H1031 VanDerWaalsContact C-N 3.28Å; S1029-H1031 PolarHBondContact O-N 3.04Å; H1031-S1034 PolarHBondContact O-OG 2.84Å; H1031-M1035 WeakPolarHBondContact O-CG 3.23Å; H1031-M1035 PolarHBondContact O-N 3.41Å |
| 1032 | V | 48.1 | Very low | 53.9 | Low | 35 Ų | 35 | 91.9 Ų | 91.9 | 21% | 0.212 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -78.8 | -38.4 | 179.6 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | V1015 V1018 I1019 N1028 S1029 S1034 M1035 | V1015-V1032 HydrophobicContact CG1-CG1 4.37Å; V1018-V1032 HydrophobicContact CG1-CG1 4.34Å; I1019-V1032 HydrophobicContact CD1-CG1 4.28Å; I1019-V1032 HydrophobicContact CG1-CB 4.49Å; I1019-V1032 HydrophobicContact CG1-CG1 3.89Å; N1028-V1032 WeakPolarHBondContact O-CG2 3.23Å; S1029-V1032 PolarHBondContact O-N 3.05Å; V1032-S1034 PolarHBondContact O-N 3.05Å; V1032-S1034 VanDerWaalsContact O-N 3.13Å; V1032-M1035 WeakPolarHBondContact O-CB 3.43Å; V1032-M1035 PolarHBondContact O-N 3.01Å; V1032-M1035 VanDerWaalsContact O-N 3.08Å |
| 1033 | L | 47.3 | Very low | 55.4 | Low | 84.8 Ų | 84.8 | 89.3 Ų | 89.3 | 44% | 0.444 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -28.6 | -179 | -68 | 172.9 | 0 | 0 | 0 | 113.4 | I1019 S1029 R1105 | I1019-L1033 HydrophobicContact CD1-CD2 3.88Å; S1029-L1033 WeakPolarHBondContact O-CG 3.46Å; S1029-L1033 PolarHBondContact O-N 3.17Å; L1033-R1105 PolarHBondContact O-NH1 3.02Å |
| 1034 | S | 48.3 | Very low | 57.2 | Low | 57 Ų | 57 | 86.9 Ų | 86.9 | 40% | 0.399 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -11.1 | -176.9 | 55.2 | 0 | 0 | 0 | 0 | 115.1 | H1031 V1032 G1036 L1037 S1038 | H1031-S1034 PolarHBondContact O-OG 2.84Å; V1032-S1034 PolarHBondContact O-N 3.05Å; V1032-S1034 VanDerWaalsContact O-N 3.13Å; S1034-G1036 PolarHBondContact O-N 3.34Å; S1034-L1037 PolarHBondContact O-N 2.98Å; S1034-S1038 WeakPolarHBondContact O-CB 3.29Å; S1034-S1038 PolarHBondContact O-N 3.12Å; S1034-S1038 VanDerWaalsContact O-N 3.09Å; S1034-S1038 PolarHBondContact O-OG 3.14Å |
| 1035 | M | 50 | Low | 59 | Low | 121.8 Ų | 121.8 | 81.5 Ų | 81.5 | 60% | 0.6 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -29.3 | -169.4 | -86 | -176.7 | 54.4 | 0 | 0 | 114.4 | H1031 V1032 L1037 S1038 R1039 R1105 | H1031-M1035 WeakPolarHBondContact O-CG 3.23Å; H1031-M1035 PolarHBondContact O-N 3.41Å; V1032-M1035 WeakPolarHBondContact O-CB 3.43Å; V1032-M1035 PolarHBondContact O-N 3.01Å; V1032-M1035 VanDerWaalsContact O-N 3.08Å; M1035-L1037 PolarHBondContact O-N 3.29Å; M1035-S1038 PolarHBondContact O-OG 2.9Å; M1035-R1039 PolarHBondContact O-NH2 3.31Å; M1035-R1105 PolarHBondContact O-NH1 2.89Å |
| 1036 | G | 52.3 | Low | 61 | Low | 7.4 Ų | 7.4 | 77 Ų | 77 | 8% | 0.076 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -44.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | E1011 S1034 S1038 R1039 | E1011-G1036 WeakPolarHBondContact OE1-CA 3.29Å; S1034-G1036 PolarHBondContact O-N 3.34Å; G1036-S1038 PolarHBondContact O-N 3.31Å; G1036-R1039 PolarHBondContact O-N 3.1Å |
| 1037 | L | 56.5 | Low | 63.3 | Low | 14 Ų | 14 | 70 Ų | 70 | 7% | 0.073 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -91.4 | -6.9 | -173.7 | -61.5 | -160.5 | 0 | 0 | 0 | 115.1 | L1008 S1034 M1035 R1039 I1040 V1101 R1105 C1106 | L1008-L1037 HydrophobicContact CD1-CD2 3.5Å; L1008-L1037 VanDerWaalsContact CD1-CD2 3.44Å; S1034-L1037 PolarHBondContact O-N 2.98Å; M1035-L1037 PolarHBondContact O-N 3.29Å; L1037-R1039 PolarHBondContact O-N 3.05Å; L1037-I1040 HydrophobicContact CB-CD1 4.26Å; L1037-I1040 HydrophobicContact CB-CG1 4.41Å; L1037-I1040 HydrophobicContact CD1-CD1 4.31Å; L1037-I1040 HydrophobicContact CD2-CD1 3.71Å; L1037-I1040 VanDerWaalsContact CD2-CD1 3.49Å; L1037-I1040 HydrophobicContact CD2-CG1 4.25Å; L1037-I1040 HydrophobicContact CG-CD1 4.36Å; L1037-I1040 WeakPolarHBondContact O-CB 3.5Å; L1037-I1040 PolarHBondContact O-N 3.33Å; L1037-V1101 HydrophobicContact CD1-CG1 4.31Å; L1037-R1105 HydrophobicContact CD1-CB 3.71Å; L1037-R1105 VanDerWaalsContact CD1-CD 3.44Å; L1037-R1105 HydrophobicContact CD1-CG 3.94Å; L1037-R1105 HydrophobicContact CG-CB 4.25Å; L1037-R1105 VanDerWaalsContact CG-CD 3.49Å; L1037-C1106 VanDerWaalsContact CD1-SG 3.58Å |
| 1038 | S | 57.8 | Low | 65.4 | Low | 94.2 Ų | 94.2 | 69.1 Ų | 69.1 | 66% | 0.659 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -59.4 | -9.2 | 170.9 | 22.2 | 0 | 0 | 0 | 0 | 113.3 | S1034 M1035 G1036 | S1034-S1038 WeakPolarHBondContact O-CB 3.29Å; S1034-S1038 PolarHBondContact O-N 3.12Å; S1034-S1038 VanDerWaalsContact O-N 3.09Å; S1034-S1038 PolarHBondContact O-OG 3.14Å; M1035-S1038 PolarHBondContact O-OG 2.9Å; G1036-S1038 PolarHBondContact O-N 3.31Å |
| 1039 | R | 66.8 | Low | 67.6 | Low | 89.4 Ų | 89.4 | 66.4 Ų | 66.4 | 34% | 0.337 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -83.9 | -18.1 | 171.3 | -111.4 | 176.5 | -79.4 | -77.9 | -2.6 | 114.4 | D830 Y1003 E1011 M1035 G1036 L1037 R1041 | D830-R1039 HydrophobicContact CB-CG 4.42Å; D830-R1039 WeakPolarHBondContact OD1-CD 3.24Å; D830-R1039 IonicContact OD1-NE 3.21Å; D830-R1039 WeakPolarHBondContact OD2-CD 3.28Å; Y1003-R1039 PolarHBondContact OH-O 3.2Å; Y1003-R1039 VanDerWaalsContact OH-O 3.13Å; E1011-R1039 IonicContact OE1-CZ 3.66Å; E1011-R1039 IonicContact OE1-NH2 3.6Å; E1011-R1039 PolarHBondContact OE1-NH2 3.41Å; E1011-R1039 IonicContact OE2-CZ 3.8Å; E1011-R1039 IonicContact OE2-NE 3.78Å; E1011-R1039 IonicContact OE2-NH2 2.73Å; E1011-R1039 PolarHBondContact OE2-NH2 3.35Å; E1011-R1039 VanDerWaalsContact OE2-NH2 3.08Å; M1035-R1039 PolarHBondContact O-NH2 3.31Å; G1036-R1039 PolarHBondContact O-N 3.1Å; L1037-R1039 PolarHBondContact O-N 3.05Å; R1039-R1041 PolarHBondContact O-N 3.13Å; R1039-R1041 VanDerWaalsContact O-N 3.07Å |
| 1040 | I | 71 | Confident | 69.7 | Low | 16.4 Ų | 16.4 | 63 Ų | 63 | 8% | 0.084 | 33% | 0.328 | C | S | . | . | trans | -78.2 | 103.5 | 177.2 | -57.4 | -174.2 | 0 | 0 | 0 | 108.2 | Y1003 L1008 L1037 D1042 S1043 F1046 V1102 | Y1003-I1040 HydrophobicContact CD1-CG1 4.47Å; Y1003-I1040 HydrophobicContact CE1-CG1 4.07Å; Y1003-I1040 HydrophobicContact CE2-CG2 4.39Å; Y1003-I1040 WeakPolarHBondContact OH-CA 3.39Å; L1008-I1040 HydrophobicContact CD1-CD1 4.38Å; L1037-I1040 HydrophobicContact CB-CD1 4.26Å; L1037-I1040 HydrophobicContact CB-CG1 4.41Å; L1037-I1040 HydrophobicContact CD1-CD1 4.31Å; L1037-I1040 HydrophobicContact CD2-CD1 3.71Å; L1037-I1040 VanDerWaalsContact CD2-CD1 3.49Å; L1037-I1040 HydrophobicContact CD2-CG1 4.25Å; L1037-I1040 HydrophobicContact CG-CD1 4.36Å; L1037-I1040 WeakPolarHBondContact O-CB 3.5Å; L1037-I1040 PolarHBondContact O-N 3.33Å; I1040-D1042 VanDerWaalsContact C-N 3.31Å; I1040-D1042 PolarHBondContact O-N 2.89Å; I1040-S1043 VanDerWaalsContact CG2-CA 3.48Å; I1040-F1046 HydrophobicContact CD1-CD1 3.9Å; I1040-F1046 HydrophobicContact CD1-CE1 4.06Å; I1040-F1046 HydrophobicContact CG2-CB 4.27Å; I1040-F1046 HydrophobicContact CG2-CD1 4.32Å; I1040-V1102 HydrophobicContact CD1-CG2 4.1Å | ||
| 1041 | R | 70.4 | Confident | 71.9 | Confident | 180.8 Ų | 180.8 | 57.4 Ų | 57.4 | 68% | 0.682 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -70.5 | -36 | -176.5 | -70.3 | -174.9 | 179.9 | -124.1 | -2.4 | 113.5 | E713 Y1003 R1039 | E713-R1041 VanDerWaalsContact CD-NH2 3.34Å; E713-R1041 IonicContact OE1-CZ 3.27Å; E713-R1041 IonicContact OE1-NH1 2.71Å; E713-R1041 PolarHBondContact OE1-NH1 2.87Å; E713-R1041 IonicContact OE1-NH2 3.05Å; E713-R1041 IonicContact OE2-CZ 2.83Å; E713-R1041 IonicContact OE2-NH1 3.24Å; E713-R1041 PolarHBondContact OE2-NH1 3.29Å; E713-R1041 IonicContact OE2-NH2 3.11Å; E713-R1041 PolarHBondContact OE2-NH2 2.91Å; Y1003-R1041 PolarHBondContact OH-N 3.28Å; R1039-R1041 PolarHBondContact O-N 3.13Å; R1039-R1041 VanDerWaalsContact O-N 3.07Å |
| 1042 | D | 80.6 | Confident | 74.1 | Confident | 83.2 Ų | 83.2 | 55.8 Ų | 55.8 | 45% | 0.445 | 29% | 0.285 | S | S | . | . | trans | -134.8 | 87.9 | 179.7 | -171 | -16.4 | 0 | 0 | 0 | 108.5 | I1040 T1044 A1045 F1046 | I1040-D1042 VanDerWaalsContact C-N 3.31Å; I1040-D1042 PolarHBondContact O-N 2.89Å; D1042-T1044 VanDerWaalsContact C-N 3.3Å; D1042-T1044 PolarHBondContact O-N 3.03Å; D1042-T1044 WeakPolarHBondContact OD1-CB 3.2Å; D1042-T1044 PolarHBondContact OD1-N 3.16Å; D1042-T1044 VanDerWaalsContact OD1-N 3.1Å; D1042-T1044 PolarHBondContact OD1-OG1 3.16Å; D1042-A1045 HydrophobicContact CB-CB 4.05Å; D1042-A1045 PolarHBondContact O-N 3.26Å; D1042-A1045 WeakPolarHBondContact OD1-CB 3.1Å; D1042-A1045 PolarHBondContact OD1-N 3.24Å; D1042-A1045 VanDerWaalsContact OD2-CB 3.29Å; D1042-A1045 WeakPolarHBondContact OD2-CB 3.31Å; D1042-F1046 WeakPolarHBondContact O-CB 3.37Å; D1042-F1046 PolarHBondContact O-N 3.13Å; D1042-F1046 VanDerWaalsContact O-N 3.11Å | ||
| 1043 | S | 86.6 | Confident | 76.1 | Confident | 3.4 Ų | 3.4 | 57.4 Ų | 57.4 | 2% | 0.024 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62 | -34.4 | -179.2 | 57.8 | 0 | 0 | 0 | 0 | 111.6 | I1040 F1046 F1047 E1109 | I1040-S1043 VanDerWaalsContact CG2-CA 3.48Å; S1043-F1046 PolarHBondContact O-N 2.95Å; S1043-F1047 VanDerWaalsContact O-CB 3.27Å; S1043-F1047 WeakPolarHBondContact O-CB 3.28Å; S1043-F1047 PolarHBondContact O-N 3.2Å; S1043-E1109 WeakPolarHBondContact CB-OE2 3.33Å; S1043-E1109 PolarHBondContact OG-OE2 3.29Å |
| 1044 | T | 89 | Confident | 78.3 | Confident | 50.4 Ų | 50.4 | 53.4 Ų | 53.4 | 31% | 0.309 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.1 | -49.3 | 179.2 | 60.3 | 0 | 0 | 0 | 0 | 111.7 | D1042 F1046 F1047 N1048 I1110 | D1042-T1044 VanDerWaalsContact C-N 3.3Å; D1042-T1044 PolarHBondContact O-N 3.03Å; D1042-T1044 WeakPolarHBondContact OD1-CB 3.2Å; D1042-T1044 PolarHBondContact OD1-N 3.16Å; D1042-T1044 VanDerWaalsContact OD1-N 3.1Å; D1042-T1044 PolarHBondContact OD1-OG1 3.16Å; T1044-F1046 VanDerWaalsContact C-N 3.33Å; T1044-F1046 PolarHBondContact O-N 3.17Å; T1044-F1047 PolarHBondContact O-N 3.18Å; T1044-N1048 WeakPolarHBondContact O-CB 3.36Å; T1044-N1048 VanDerWaalsContact O-CG 3.24Å; T1044-N1048 PolarHBondContact O-N 2.95Å; T1044-N1048 PolarHBondContact O-ND2 3.16Å; T1044-N1048 VanDerWaalsContact O-ND2 3.12Å; T1044-I1110 HydrophobicContact CG2-CG1 4.31Å |
| 1045 | A | 88.2 | Confident | 80.3 | Confident | 38.8 Ų | 38.8 | 53.2 Ų | 53.2 | 32% | 0.321 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | D1042 N1048 E1049 | D1042-A1045 HydrophobicContact CB-CB 4.05Å; D1042-A1045 PolarHBondContact O-N 3.26Å; D1042-A1045 WeakPolarHBondContact OD1-CB 3.1Å; D1042-A1045 PolarHBondContact OD1-N 3.24Å; D1042-A1045 VanDerWaalsContact OD2-CB 3.29Å; D1042-A1045 WeakPolarHBondContact OD2-CB 3.31Å; A1045-N1048 PolarHBondContact O-N 3.03Å; A1045-E1049 WeakPolarHBondContact O-CG 3.36Å; A1045-E1049 PolarHBondContact O-N 3.19Å |
| 1046 | F | 90.8 | Very high | 82.1 | Confident | 8.2 Ų | 8.2 | 52.5 Ų | 52.5 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 178.1 | -178.6 | -127.4 | 0 | 0 | 0 | 112.6 | V1000 Y1003 L1005 L1008 I1040 D1042 S1043 T1044 N1048 E1049 L1050 V1102 | V1000-F1046 HydrophobicContact CB-CE2 4.28Å; V1000-F1046 HydrophobicContact CG1-CE2 4.39Å; V1000-F1046 WeakPolarHBondContact O-CE2 3.47Å; Y1003-F1046 HydrophobicContact CD2-CD1 4.27Å; Y1003-F1046 AromaticContact CD2-CD2 3.44Å; Y1003-F1046 HydrophobicContact CD2-CD2 3.44Å; Y1003-F1046 VanDerWaalsContact CD2-CD2 3.44Å; Y1003-F1046 HydrophobicContact CD2-CE1 4.3Å; Y1003-F1046 AromaticContact CD2-CE2 3.51Å; Y1003-F1046 HydrophobicContact CD2-CE2 3.51Å; Y1003-F1046 VanDerWaalsContact CD2-CE2 3.47Å; Y1003-F1046 AromaticContact CD2-CG 3.85Å; Y1003-F1046 HydrophobicContact CD2-CG 3.85Å; Y1003-F1046 AromaticContact CD2-CZ 3.9Å; Y1003-F1046 HydrophobicContact CD2-CZ 3.95Å; Y1003-F1046 HydrophobicContact CE2-CB 4.36Å; Y1003-F1046 HydrophobicContact CE2-CD1 4.46Å; Y1003-F1046 AromaticContact CE2-CD2 4Å; Y1003-F1046 HydrophobicContact CE2-CD2 4.05Å; Y1003-F1046 HydrophobicContact CE2-CE2 4.47Å; Y1003-F1046 HydrophobicContact CE2-CG 4.1Å; Y1003-F1046 HydrophobicContact CG-CD2 4.33Å; Y1003-F1046 HydrophobicContact CG-CE1 4.38Å; Y1003-F1046 AromaticContact CG-CE2 3.92Å; Y1003-F1046 HydrophobicContact CG-CE2 3.98Å; Y1003-F1046 AromaticContact CG-CZ 3.93Å; Y1003-F1046 HydrophobicContact CG-CZ 4.02Å; L1005-F1046 HydrophobicContact CD2-CZ 4.15Å; L1008-F1046 HydrophobicContact CD2-CE1 3.87Å; L1008-F1046 HydrophobicContact CD2-CZ 4.09Å; I1040-F1046 HydrophobicContact CD1-CD1 3.9Å; I1040-F1046 HydrophobicContact CD1-CE1 4.06Å; I1040-F1046 HydrophobicContact CG2-CB 4.27Å; I1040-F1046 HydrophobicContact CG2-CD1 4.32Å; D1042-F1046 WeakPolarHBondContact O-CB 3.37Å; D1042-F1046 PolarHBondContact O-N 3.13Å; D1042-F1046 VanDerWaalsContact O-N 3.11Å; S1043-F1046 PolarHBondContact O-N 2.95Å; T1044-F1046 VanDerWaalsContact C-N 3.33Å; T1044-F1046 PolarHBondContact O-N 3.17Å; F1046-N1048 VanDerWaalsContact C-N 3.31Å; F1046-N1048 PolarHBondContact O-N 3.22Å; F1046-E1049 PolarHBondContact O-N 3.22Å; F1046-L1050 HydrophobicContact CD1-CD1 4.07Å; F1046-L1050 HydrophobicContact CD2-CD1 4.48Å; F1046-L1050 HydrophobicContact CD2-CG 4.3Å; F1046-L1050 HydrophobicContact CE1-CD1 3.7Å; F1046-L1050 HydrophobicContact CE1-CG 4.32Å; F1046-L1050 HydrophobicContact CE2-CD1 4.21Å; F1046-L1050 HydrophobicContact CE2-CD2 4Å; F1046-L1050 HydrophobicContact CE2-CG 3.91Å; F1046-L1050 HydrophobicContact CG-CD1 4.48Å; F1046-L1050 HydrophobicContact CZ-CD1 3.77Å; F1046-L1050 HydrophobicContact CZ-CD2 3.92Å; F1046-L1050 HydrophobicContact CZ-CG 3.93Å; F1046-L1050 WeakPolarHBondContact O-CG 3.37Å; F1046-L1050 PolarHBondContact O-N 3.17Å; F1046-V1102 HydrophobicContact CD1-CG1 4.49Å; F1046-V1102 HydrophobicContact CD1-CG2 3.84Å; F1046-V1102 HydrophobicContact CE1-CG2 3.67Å |
| 1047 | F | 91.9 | Very high | 83.7 | Confident | 4.8 Ų | 4.8 | 54.6 Ų | 54.6 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.6 | -43.7 | 174.3 | -175.1 | -89 | 0 | 0 | 0 | 111.5 | S1043 T1044 E1049 L1050 F1051 M1099 V1102 Y1103 I1110 I1113 L1138 L1142 | S1043-F1047 VanDerWaalsContact O-CB 3.27Å; S1043-F1047 WeakPolarHBondContact O-CB 3.28Å; S1043-F1047 PolarHBondContact O-N 3.2Å; T1044-F1047 PolarHBondContact O-N 3.18Å; F1047-E1049 PolarHBondContact O-N 3.13Å; F1047-L1050 WeakPolarHBondContact O-CB 3.36Å; F1047-L1050 PolarHBondContact O-N 3.35Å; F1047-F1051 WeakPolarHBondContact O-CB 3.45Å; F1047-F1051 PolarHBondContact O-N 3.22Å; F1047-M1099 HydrophobicContact CD2-CB 4.2Å; F1047-M1099 HydrophobicContact CD2-CG 4.21Å; F1047-M1099 HydrophobicContact CE1-CE 3.78Å; F1047-M1099 HydrophobicContact CE2-CB 3.71Å; F1047-M1099 HydrophobicContact CE2-CE 3.77Å; F1047-M1099 HydrophobicContact CE2-CG 4.01Å; F1047-M1099 HydrophobicContact CZ-CB 4.42Å; F1047-M1099 HydrophobicContact CZ-CE 3.33Å; F1047-M1099 HydrophobicContact CZ-CG 4.49Å; F1047-V1102 HydrophobicContact CB-CG1 4.39Å; F1047-V1102 HydrophobicContact CD2-CG1 4.38Å; F1047-Y1103 HydrophobicContact CD2-CD2 4.47Å; F1047-Y1103 AromaticContact CE2-CD2 3.97Å; F1047-Y1103 HydrophobicContact CE2-CD2 4.06Å; F1047-Y1103 HydrophobicContact CE2-CG 4.43Å; F1047-Y1103 HydrophobicContact CZ-CD2 4.31Å; F1047-I1110 HydrophobicContact CB-CD1 4.08Å; F1047-I1110 HydrophobicContact CD1-CG2 4.37Å; F1047-I1110 HydrophobicContact CD2-CD1 4.13Å; F1047-I1110 HydrophobicContact CG-CD1 4.2Å; F1047-I1110 HydrophobicContact CG-CG2 4.45Å; F1047-I1113 HydrophobicContact CD1-CD1 4.17Å; F1047-I1113 HydrophobicContact CE1-CD1 3.56Å; F1047-I1113 VanDerWaalsContact CE1-CD1 3.49Å; F1047-I1113 HydrophobicContact CE1-CG1 4.15Å; F1047-I1113 HydrophobicContact CE2-CD1 4.45Å; F1047-I1113 HydrophobicContact CZ-CD1 3.55Å; F1047-I1113 VanDerWaalsContact CZ-CD1 3.44Å; F1047-I1113 HydrophobicContact CZ-CG1 4.4Å; F1047-L1138 HydrophobicContact CE2-CD1 4.41Å; F1047-L1142 HydrophobicContact CZ-CD2 4.32Å |
| 1048 | N | 90.8 | Very high | 85.1 | Confident | 74.2 Ų | 74.2 | 54.5 Ų | 54.5 | 40% | 0.397 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.2 | -36.6 | 177 | -70.2 | -28.4 | 0 | 0 | 0 | 112.7 | T1044 A1045 F1046 F1051 R1052 | T1044-N1048 WeakPolarHBondContact O-CB 3.36Å; T1044-N1048 VanDerWaalsContact O-CG 3.24Å; T1044-N1048 PolarHBondContact O-N 2.95Å; T1044-N1048 PolarHBondContact O-ND2 3.16Å; T1044-N1048 VanDerWaalsContact O-ND2 3.12Å; A1045-N1048 PolarHBondContact O-N 3.03Å; F1046-N1048 VanDerWaalsContact C-N 3.31Å; F1046-N1048 PolarHBondContact O-N 3.22Å; N1048-F1051 PolarHBondContact O-N 3.21Å; N1048-R1052 VanDerWaalsContact O-CB 3.3Å; N1048-R1052 WeakPolarHBondContact O-CB 3.39Å; N1048-R1052 VanDerWaalsContact O-CG 3.29Å; N1048-R1052 WeakPolarHBondContact O-CG 3.4Å; N1048-R1052 PolarHBondContact O-N 3.26Å |
| 1049 | E | 90.2 | Very high | 86.2 | Confident | 74.2 Ų | 74.2 | 53.8 Ų | 53.8 | 35% | 0.347 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 173 | -74.6 | -58.7 | 136.9 | 0 | 0 | 112.2 | V1000 A1045 F1046 F1047 F1051 R1052 R1053 | V1000-E1049 HydrophobicContact CG1-CB 3.92Å; A1045-E1049 WeakPolarHBondContact O-CG 3.36Å; A1045-E1049 PolarHBondContact O-N 3.19Å; F1046-E1049 PolarHBondContact O-N 3.22Å; F1047-E1049 PolarHBondContact O-N 3.13Å; E1049-F1051 VanDerWaalsContact C-N 3.33Å; E1049-F1051 PolarHBondContact O-N 3.33Å; E1049-R1052 PolarHBondContact O-N 3.12Å; E1049-R1052 IonicContact OE1-CZ 3.64Å; E1049-R1052 IonicContact OE1-NH1 3.32Å; E1049-R1052 PolarHBondContact OE1-NH1 3.2Å; E1049-R1052 IonicContact OE1-NH2 3.55Å; E1049-R1052 IonicContact OE2-NH1 3.42Å; E1049-R1052 PolarHBondContact OE2-NH1 3Å; E1049-R1052 VanDerWaalsContact OE2-NH1 3.13Å; E1049-R1053 VanDerWaalsContact O-CB 3.28Å; E1049-R1053 WeakPolarHBondContact O-CB 3.34Å; E1049-R1053 PolarHBondContact O-N 3.13Å |
| 1050 | L | 93.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 174.2 | -70.8 | 170.1 | 0 | 0 | 0 | 111.1 | V1000 L1005 F1046 F1047 R1053 Y1054 A1098 M1099 V1102 | V1000-L1050 HydrophobicContact CB-CD2 3.89Å; V1000-L1050 HydrophobicContact CG1-CD2 4Å; V1000-L1050 HydrophobicContact CG1-CG 4.4Å; V1000-L1050 HydrophobicContact CG2-CD2 4.01Å; L1005-L1050 HydrophobicContact CD1-CD2 4.34Å; L1005-L1050 HydrophobicContact CD2-CD2 3.57Å; F1046-L1050 HydrophobicContact CD1-CD1 4.07Å; F1046-L1050 HydrophobicContact CD2-CD1 4.48Å; F1046-L1050 HydrophobicContact CD2-CG 4.3Å; F1046-L1050 HydrophobicContact CE1-CD1 3.7Å; F1046-L1050 HydrophobicContact CE1-CG 4.32Å; F1046-L1050 HydrophobicContact CE2-CD1 4.21Å; F1046-L1050 HydrophobicContact CE2-CD2 4Å; F1046-L1050 HydrophobicContact CE2-CG 3.91Å; F1046-L1050 HydrophobicContact CG-CD1 4.48Å; F1046-L1050 HydrophobicContact CZ-CD1 3.77Å; F1046-L1050 HydrophobicContact CZ-CD2 3.92Å; F1046-L1050 HydrophobicContact CZ-CG 3.93Å; F1046-L1050 WeakPolarHBondContact O-CG 3.37Å; F1046-L1050 PolarHBondContact O-N 3.17Å; F1047-L1050 WeakPolarHBondContact O-CB 3.36Å; F1047-L1050 PolarHBondContact O-N 3.35Å; L1050-R1053 PolarHBondContact O-N 3.08Å; L1050-Y1054 WeakPolarHBondContact O-CB 3.38Å; L1050-Y1054 PolarHBondContact O-N 3.15Å; L1050-A1098 HydrophobicContact CD1-CB 3.92Å; L1050-A1098 HydrophobicContact CD2-CB 3.96Å; L1050-M1099 HydrophobicContact CB-CG 3.54Å; L1050-M1099 VanDerWaalsContact CB-CG 3.49Å; L1050-M1099 HydrophobicContact CB-SD 4.21Å; L1050-M1099 HydrophobicContact CD1-CG 3.95Å; L1050-M1099 HydrophobicContact CG-CG 4.38Å; L1050-V1102 HydrophobicContact CD1-CG2 4.3Å |
| 1051 | F | 93.9 | Very high | 86.4 | Confident | 16.2 Ų | 16.2 | 51.1 Ų | 51.1 | 7% | 0.071 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.1 | -46.2 | 179.6 | -174 | -123.4 | 0 | 0 | 0 | 112.1 | F1047 N1048 E1049 R1053 Y1054 L1055 M1099 D1115 L1118 L1119 | F1047-F1051 WeakPolarHBondContact O-CB 3.45Å; F1047-F1051 PolarHBondContact O-N 3.22Å; N1048-F1051 PolarHBondContact O-N 3.21Å; E1049-F1051 VanDerWaalsContact C-N 3.33Å; E1049-F1051 PolarHBondContact O-N 3.33Å; F1051-R1053 VanDerWaalsContact C-N 3.29Å; F1051-R1053 PolarHBondContact O-N 3.2Å; F1051-Y1054 HydrophobicContact CD2-CD1 4.26Å; F1051-Y1054 HydrophobicContact CE2-CD1 4.3Å; F1051-Y1054 WeakPolarHBondContact O-CB 3.32Å; F1051-Y1054 PolarHBondContact O-N 3.16Å; F1051-L1055 HydrophobicContact CD1-CD1 4.12Å; F1051-L1055 HydrophobicContact CD2-CG 4.46Å; F1051-L1055 HydrophobicContact CE1-CD1 3.62Å; F1051-L1055 HydrophobicContact CE1-CG 4.32Å; F1051-L1055 HydrophobicContact CE2-CD1 4.32Å; F1051-L1055 HydrophobicContact CE2-CD2 4.2Å; F1051-L1055 HydrophobicContact CE2-CG 4.16Å; F1051-L1055 HydrophobicContact CZ-CD1 3.76Å; F1051-L1055 HydrophobicContact CZ-CD2 4.17Å; F1051-L1055 HydrophobicContact CZ-CG 4.09Å; F1051-L1055 WeakPolarHBondContact O-CG 3.39Å; F1051-L1055 PolarHBondContact O-N 3.2Å; F1051-M1099 HydrophobicContact CB-CE 3.76Å; F1051-M1099 HydrophobicContact CB-SD 4.06Å; F1051-M1099 HydrophobicContact CD2-CE 3.63Å; F1051-M1099 HydrophobicContact CD2-SD 4.19Å; F1051-M1099 HydrophobicContact CG-CE 4.03Å; F1051-D1115 HydrophobicContact CE1-CB 3.8Å; F1051-D1115 VanDerWaalsContact CE1-OD2 3.29Å; F1051-D1115 WeakPolarHBondContact CE1-OD2 3.3Å; F1051-D1115 HydrophobicContact CZ-CB 3.72Å; F1051-L1118 HydrophobicContact CZ-CD2 4.15Å; F1051-L1119 HydrophobicContact CE2-CD2 3.89Å; F1051-L1119 HydrophobicContact CE2-CG 4.37Å |
| 1052 | R | 91.6 | Very high | 85.9 | Confident | 117.6 Ų | 117.6 | 46.3 Ų | 46.3 | 44% | 0.444 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.2 | -40.9 | 175.3 | -132.3 | -176.4 | -90.1 | 108.1 | -0.8 | 111.6 | N1048 E1049 L1055 Q1056 | N1048-R1052 VanDerWaalsContact O-CB 3.3Å; N1048-R1052 WeakPolarHBondContact O-CB 3.39Å; N1048-R1052 VanDerWaalsContact O-CG 3.29Å; N1048-R1052 WeakPolarHBondContact O-CG 3.4Å; N1048-R1052 PolarHBondContact O-N 3.26Å; E1049-R1052 PolarHBondContact O-N 3.12Å; E1049-R1052 IonicContact OE1-CZ 3.64Å; E1049-R1052 IonicContact OE1-NH1 3.32Å; E1049-R1052 PolarHBondContact OE1-NH1 3.2Å; E1049-R1052 IonicContact OE1-NH2 3.55Å; E1049-R1052 IonicContact OE2-NH1 3.42Å; E1049-R1052 PolarHBondContact OE2-NH1 3Å; E1049-R1052 VanDerWaalsContact OE2-NH1 3.13Å; R1052-L1055 PolarHBondContact O-N 3.18Å; R1052-Q1056 WeakPolarHBondContact O-CB 3.28Å; R1052-Q1056 VanDerWaalsContact O-CG 3.29Å; R1052-Q1056 WeakPolarHBondContact O-CG 3.3Å; R1052-Q1056 PolarHBondContact O-N 3.26Å |
| 1053 | R | 90.2 | Very high | 84.6 | Confident | 68.6 Ų | 68.6 | 49 Ų | 49 | 26% | 0.259 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 177.2 | -175.3 | 58.2 | 60 | 83.8 | 7.7 | 111.8 | V1000 E1049 L1050 F1051 Q1056 Y1057 | V1000-R1053 HydrophobicContact CG1-CB 4.39Å; V1000-R1053 HydrophobicContact CG2-CB 4.36Å; V1000-R1053 HydrophobicContact CG2-CG 4.06Å; E1049-R1053 VanDerWaalsContact O-CB 3.28Å; E1049-R1053 WeakPolarHBondContact O-CB 3.34Å; E1049-R1053 PolarHBondContact O-N 3.13Å; L1050-R1053 PolarHBondContact O-N 3.08Å; F1051-R1053 VanDerWaalsContact C-N 3.29Å; F1051-R1053 PolarHBondContact O-N 3.2Å; R1053-Q1056 WeakPolarHBondContact O-CB 3.35Å; R1053-Q1056 PolarHBondContact O-N 3.13Å; R1053-Y1057 VanDerWaalsContact CD-CE2 3.46Å; R1053-Y1057 HydrophobicContact CG-CD2 4Å; R1053-Y1057 HydrophobicContact CG-CE2 3.63Å; R1053-Y1057 WeakPolarHBondContact O-CD2 3.37Å; R1053-Y1057 PolarHBondContact O-N 3.14Å; R1053-Y1057 VanDerWaalsContact O-N 3.15Å |
| 1054 | Y | 93.5 | Very high | 82.9 | Confident | 0.4 Ų | 0.4 | 52.4 Ų | 52.4 | 0% | 0.002 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.5 | -52.4 | 172.3 | 168.4 | -109.8 | 0 | 0 | 0 | 111 | L1050 F1051 Q1056 Y1057 V1058 R1092 L1096 L1122 E1131 | L1050-Y1054 WeakPolarHBondContact O-CB 3.38Å; L1050-Y1054 PolarHBondContact O-N 3.15Å; F1051-Y1054 HydrophobicContact CD2-CD1 4.26Å; F1051-Y1054 HydrophobicContact CE2-CD1 4.3Å; F1051-Y1054 WeakPolarHBondContact O-CB 3.32Å; F1051-Y1054 PolarHBondContact O-N 3.16Å; Y1054-Q1056 VanDerWaalsContact C-N 3.31Å; Y1054-Q1056 PolarHBondContact O-N 3.18Å; Y1054-Y1057 PolarHBondContact O-N 3.08Å; Y1054-V1058 HydrophobicContact CD1-CG2 4.38Å; Y1054-V1058 HydrophobicContact CD2-CG2 4.15Å; Y1054-V1058 HydrophobicContact CE1-CG2 3.91Å; Y1054-V1058 HydrophobicContact CE2-CG2 3.62Å; Y1054-V1058 HydrophobicContact CG-CG2 4.48Å; Y1054-V1058 VanDerWaalsContact CZ-CG2 3.47Å; Y1054-V1058 WeakPolarHBondContact O-CG2 3.36Å; Y1054-V1058 PolarHBondContact O-N 2.89Å; Y1054-R1092 HydrophobicContact CD2-CB 3.89Å; Y1054-R1092 HydrophobicContact CD2-CG 3.94Å; Y1054-R1092 HydrophobicContact CE2-CB 3.87Å; Y1054-R1092 HydrophobicContact CE2-CG 3.98Å; Y1054-L1096 HydrophobicContact CD1-CD2 4.17Å; Y1054-L1096 HydrophobicContact CD2-CD1 4.14Å; Y1054-L1096 HydrophobicContact CD2-CD2 4.07Å; Y1054-L1096 HydrophobicContact CD2-CG 3.79Å; Y1054-L1096 HydrophobicContact CE1-CD2 4.05Å; Y1054-L1096 HydrophobicContact CE2-CD1 3.59Å; Y1054-L1096 HydrophobicContact CE2-CD2 3.99Å; Y1054-L1096 HydrophobicContact CE2-CG 3.73Å; Y1054-L1096 HydrophobicContact CG-CD2 4.18Å; Y1054-L1096 HydrophobicContact CG-CG 4.33Å; Y1054-L1122 HydrophobicContact CE1-CD1 3.73Å; Y1054-E1131 VanDerWaalsContact CE2-OE1 3.26Å; Y1054-E1131 WeakPolarHBondContact CE2-OE1 3.33Å; Y1054-E1131 PolarHBondContact OH-OE1 3.06Å |
| 1055 | L | 90.3 | Very high | 80.4 | Confident | 52.4 Ų | 52.4 | 53.3 Ų | 53.3 | 27% | 0.274 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.1 | -36.6 | 178.9 | -67.1 | -178.8 | 0 | 0 | 0 | 113 | F1051 R1052 Y1057 V1058 A1059 L1118 L1122 | F1051-L1055 HydrophobicContact CD1-CD1 4.12Å; F1051-L1055 HydrophobicContact CD2-CG 4.46Å; F1051-L1055 HydrophobicContact CE1-CD1 3.62Å; F1051-L1055 HydrophobicContact CE1-CG 4.32Å; F1051-L1055 HydrophobicContact CE2-CD1 4.32Å; F1051-L1055 HydrophobicContact CE2-CD2 4.2Å; F1051-L1055 HydrophobicContact CE2-CG 4.16Å; F1051-L1055 HydrophobicContact CZ-CD1 3.76Å; F1051-L1055 HydrophobicContact CZ-CD2 4.17Å; F1051-L1055 HydrophobicContact CZ-CG 4.09Å; F1051-L1055 WeakPolarHBondContact O-CG 3.39Å; F1051-L1055 PolarHBondContact O-N 3.2Å; R1052-L1055 PolarHBondContact O-N 3.18Å; L1055-Y1057 VanDerWaalsContact C-N 3.32Å; L1055-Y1057 PolarHBondContact O-N 3.12Å; L1055-V1058 PolarHBondContact O-N 3.16Å; L1055-A1059 WeakPolarHBondContact O-CB 3.3Å; L1055-A1059 PolarHBondContact O-N 3.19Å; L1055-L1118 HydrophobicContact CD1-CD2 4.35Å; L1055-L1118 HydrophobicContact CD2-CD2 4.05Å; L1055-L1122 HydrophobicContact CD2-CD1 4.18Å |
| 1056 | Q | 88 | Confident | 78.2 | Confident | 107.6 Ų | 107.6 | 59.1 Ų | 59.1 | 50% | 0.503 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.2 | -41.1 | 173 | -76.2 | 170.9 | -2.5 | 0 | 0 | 112 | R1052 R1053 Y1054 S1060 | R1052-Q1056 WeakPolarHBondContact O-CB 3.28Å; R1052-Q1056 VanDerWaalsContact O-CG 3.29Å; R1052-Q1056 WeakPolarHBondContact O-CG 3.3Å; R1052-Q1056 PolarHBondContact O-N 3.26Å; R1053-Q1056 WeakPolarHBondContact O-CB 3.35Å; R1053-Q1056 PolarHBondContact O-N 3.13Å; Y1054-Q1056 VanDerWaalsContact C-N 3.31Å; Y1054-Q1056 PolarHBondContact O-N 3.18Å; Q1056-S1060 VanDerWaalsContact O-CB 3.31Å; Q1056-S1060 WeakPolarHBondContact O-CB 3.26Å; Q1056-S1060 PolarHBondContact O-N 2.99Å; Q1056-S1060 PolarHBondContact O-OG 3.32Å |
| 1057 | Y | 86.7 | Confident | 75.5 | Confident | 51.2 Ų | 51.2 | 64.4 Ų | 64.4 | 20% | 0.201 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71.2 | -38.2 | 176.5 | -75.5 | -63.3 | 0 | 0 | 0 | 112.5 | R1053 Y1054 L1055 S1060 D1061 R1088 M1091 R1092 | R1053-Y1057 VanDerWaalsContact CD-CE2 3.46Å; R1053-Y1057 HydrophobicContact CG-CD2 4Å; R1053-Y1057 HydrophobicContact CG-CE2 3.63Å; R1053-Y1057 WeakPolarHBondContact O-CD2 3.37Å; R1053-Y1057 PolarHBondContact O-N 3.14Å; R1053-Y1057 VanDerWaalsContact O-N 3.15Å; Y1054-Y1057 PolarHBondContact O-N 3.08Å; L1055-Y1057 VanDerWaalsContact C-N 3.32Å; L1055-Y1057 PolarHBondContact O-N 3.12Å; Y1057-S1060 WeakPolarHBondContact CA-OG 3.43Å; Y1057-S1060 PolarHBondContact O-N 3.12Å; Y1057-S1060 PolarHBondContact O-OG 2.97Å; Y1057-D1061 PolarHBondContact O-N 3.14Å; Y1057-R1088 HydrophobicContact CD1-CB 4.25Å; Y1057-R1088 HydrophobicContact CD1-CG 4.02Å; Y1057-R1088 HydrophobicContact CE1-CG 4.39Å; Y1057-M1091 HydrophobicContact CD1-CB 4.43Å; Y1057-M1091 HydrophobicContact CD2-CB 3.72Å; Y1057-M1091 HydrophobicContact CE1-CB 4.2Å; Y1057-M1091 HydrophobicContact CE1-CG 4.38Å; Y1057-M1091 HydrophobicContact CE2-CB 3.43Å; Y1057-M1091 VanDerWaalsContact CE2-CB 3.45Å; Y1057-M1091 HydrophobicContact CE2-CE 3.75Å; Y1057-M1091 HydrophobicContact CE2-CG 3.92Å; Y1057-M1091 HydrophobicContact CG-CB 4.22Å; Y1057-R1092 VanDerWaalsContact CB-CG 3.47Å; Y1057-R1092 HydrophobicContact CG-CG 4.45Å |
| 1058 | V | 84.4 | Confident | 72.9 | Confident | 11.8 Ų | 11.8 | 70.1 Ų | 70.1 | 7% | 0.072 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.3 | -50.9 | 172.7 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | Y1054 L1055 S1060 D1061 Y1064 R1092 L1122 | Y1054-V1058 HydrophobicContact CD1-CG2 4.38Å; Y1054-V1058 HydrophobicContact CD2-CG2 4.15Å; Y1054-V1058 HydrophobicContact CE1-CG2 3.91Å; Y1054-V1058 HydrophobicContact CE2-CG2 3.62Å; Y1054-V1058 HydrophobicContact CG-CG2 4.48Å; Y1054-V1058 VanDerWaalsContact CZ-CG2 3.47Å; Y1054-V1058 WeakPolarHBondContact O-CG2 3.36Å; Y1054-V1058 PolarHBondContact O-N 2.89Å; L1055-V1058 PolarHBondContact O-N 3.16Å; V1058-S1060 VanDerWaalsContact C-N 3.26Å; V1058-S1060 PolarHBondContact O-N 2.87Å; V1058-D1061 WeakPolarHBondContact O-CB 3.32Å; V1058-D1061 PolarHBondContact O-N 3.17Å; V1058-D1061 VanDerWaalsContact O-N 3.14Å; V1058-Y1064 HydrophobicContact CG1-CD1 4.41Å; V1058-Y1064 HydrophobicContact CG1-CD2 3.93Å; V1058-Y1064 HydrophobicContact CG1-CE2 3.83Å; V1058-Y1064 HydrophobicContact CG1-CG 4.03Å; V1058-Y1064 WeakPolarHBondContact O-CD2 3.26Å; V1058-R1092 HydrophobicContact CG2-CG 4.42Å; V1058-L1122 HydrophobicContact CG1-CD2 4.13Å |
| 1059 | A | 81.4 | Confident | 70.4 | Confident | 80 Ų | 80 | 73.5 Ų | 73.5 | 66% | 0.661 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65.4 | -25.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1055 D1061 | L1055-A1059 WeakPolarHBondContact O-CB 3.3Å; L1055-A1059 PolarHBondContact O-N 3.19Å; A1059-D1061 VanDerWaalsContact C-N 3.3Å; A1059-D1061 PolarHBondContact O-N 3.21Å |
| 1060 | S | 75.3 | Confident | 67.9 | Low | 46 Ų | 46 | 73 Ų | 73 | 32% | 0.322 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -77.2 | -17.2 | 177.1 | 77.6 | 0 | 0 | 0 | 0 | 113.8 | Q1056 Y1057 V1058 R1088 | Q1056-S1060 VanDerWaalsContact O-CB 3.31Å; Q1056-S1060 WeakPolarHBondContact O-CB 3.26Å; Q1056-S1060 PolarHBondContact O-N 2.99Å; Q1056-S1060 PolarHBondContact O-OG 3.32Å; Y1057-S1060 WeakPolarHBondContact CA-OG 3.43Å; Y1057-S1060 PolarHBondContact O-N 3.12Å; Y1057-S1060 PolarHBondContact O-OG 2.97Å; V1058-S1060 VanDerWaalsContact C-N 3.26Å; V1058-S1060 PolarHBondContact O-N 2.87Å; S1060-R1088 PolarHBondContact O-NH1 3.13Å |
| 1061 | D | 67.9 | Low | 65.2 | Low | 3.8 Ų | 3.8 | 78.6 Ų | 78.6 | 2% | 0.02 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -73.7 | 129.3 | -174.7 | -124.2 | -20.1 | 0 | 0 | 0 | 110.9 | Y1057 V1058 A1059 F1063 Y1064 R1088 R1092 | Y1057-D1061 PolarHBondContact O-N 3.14Å; V1058-D1061 WeakPolarHBondContact O-CB 3.32Å; V1058-D1061 PolarHBondContact O-N 3.17Å; V1058-D1061 VanDerWaalsContact O-N 3.14Å; A1059-D1061 VanDerWaalsContact C-N 3.3Å; A1059-D1061 PolarHBondContact O-N 3.21Å; D1061-F1063 PolarHBondContact O-N 3.13Å; D1061-Y1064 HydrophobicContact CB-CD2 4.16Å; D1061-Y1064 PolarHBondContact O-N 3.17Å; D1061-Y1064 VanDerWaalsContact O-N 3.08Å; D1061-R1088 WeakPolarHBondContact OD1-CD 3.17Å; D1061-R1088 IonicContact OD1-NH1 3.09Å; D1061-R1092 IonicContact OD2-CZ 3.15Å; D1061-R1092 VanDerWaalsContact OD2-CZ 3.26Å; D1061-R1092 IonicContact OD2-NE 3.87Å; D1061-R1092 PolarHBondContact OD2-NE 3.27Å; D1061-R1092 VanDerWaalsContact OD2-NE 3.12Å; D1061-R1092 IonicContact OD2-NH1 3.5Å; D1061-R1092 PolarHBondContact OD2-NH1 2.85Å; D1061-R1092 VanDerWaalsContact OD2-NH1 3.14Å; D1061-R1092 IonicContact OD2-NH2 3.33Å; D1061-R1092 PolarHBondContact OD2-NH2 3.05Å |
| 1062 | P | 58.3 | Low | 62.4 | Low | 79.6 Ų | 79.6 | 86.6 Ų | 86.6 | 52% | 0.517 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -56 | -27.1 | -176 | -17.9 | 22.7 | 0 | 0 | 0 | 114.2 | Y1064 S1065 | P1062-Y1064 VanDerWaalsContact C-N 3.27Å; P1062-Y1064 PolarHBondContact O-N 3.28Å; P1062-S1065 VanDerWaalsContact O-CB 3.28Å; P1062-S1065 WeakPolarHBondContact O-CB 3.4Å; P1062-S1065 PolarHBondContact O-N 3.19Å |
| 1063 | F | 54.3 | Low | 59.5 | Low | 140.6 Ų | 140.6 | 91.9 Ų | 91.9 | 62% | 0.617 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -66.7 | -22.5 | 179.4 | -72 | -78.3 | 0 | 0 | 0 | 114.2 | D1061 F1128 | D1061-F1063 PolarHBondContact O-N 3.13Å; F1063-F1128 HydrophobicContact CE2-CZ 4.45Å |
| 1064 | Y | 49.9 | Very low | 56.9 | Low | 73.6 Ų | 73.6 | 93.2 Ų | 93.2 | 29% | 0.289 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -96.7 | 4.8 | 177.4 | -69 | -72.9 | 0 | 0 | 0 | 113.3 | V1058 D1061 P1062 I1066 L1122 E1131 | V1058-Y1064 HydrophobicContact CG1-CD1 4.41Å; V1058-Y1064 HydrophobicContact CG1-CD2 3.93Å; V1058-Y1064 HydrophobicContact CG1-CE2 3.83Å; V1058-Y1064 HydrophobicContact CG1-CG 4.03Å; V1058-Y1064 WeakPolarHBondContact O-CD2 3.26Å; D1061-Y1064 HydrophobicContact CB-CD2 4.16Å; D1061-Y1064 PolarHBondContact O-N 3.17Å; D1061-Y1064 VanDerWaalsContact O-N 3.08Å; P1062-Y1064 VanDerWaalsContact C-N 3.27Å; P1062-Y1064 PolarHBondContact O-N 3.28Å; Y1064-I1066 PolarHBondContact O-N 2.96Å; Y1064-I1066 VanDerWaalsContact O-N 3.12Å; Y1064-L1122 HydrophobicContact CE1-CD2 4.29Å; Y1064-E1131 PolarHBondContact OH-OE2 2.96Å |
| 1065 | S | 37 | Very low | 54.1 | Low | 69.8 Ų | 69.8 | 97.8 Ų | 97.8 | 49% | 0.488 | 52% | 0.515 | S | S | . | . | trans | -71.7 | 104.6 | 176.7 | -175.8 | 0 | 0 | 0 | 0 | 110.9 | P1062 N1067 | P1062-S1065 VanDerWaalsContact O-CB 3.28Å; P1062-S1065 WeakPolarHBondContact O-CB 3.4Å; P1062-S1065 PolarHBondContact O-N 3.19Å; S1065-N1067 PolarHBondContact O-N 3.23Å; S1065-N1067 VanDerWaalsContact O-N 3.12Å | ||
| 1066 | I | 42 | Very low | 51.6 | Low | 161.4 Ų | 161.4 | 101.2 Ų | 101.2 | 83% | 0.828 | 54% | 0.538 | S | S | * | . | trans | -60 | -10 | 179.4 | -67.4 | 165.8 | 0 | 0 | 0 | 113.5 | Y1064 D1068 | Y1064-I1066 PolarHBondContact O-N 2.96Å; Y1064-I1066 VanDerWaalsContact O-N 3.12Å; I1066-D1068 VanDerWaalsContact C-N 3.3Å; I1066-D1068 PolarHBondContact O-N 2.99Å; I1066-D1068 VanDerWaalsContact O-N 3.11Å | ||
| 1067 | N | 34.9 | Very low | 49.1 | Very low | 118.2 Ų | 118.2 | 102.7 Ų | 102.7 | 63% | 0.632 | 55% | 0.55 | S | S | * | . | trans | -79.7 | 89.6 | 177.9 | -89.6 | -21.4 | 0 | 0 | 0 | 111.9 | S1065 N1069 S1070 | S1065-N1067 PolarHBondContact O-N 3.23Å; S1065-N1067 VanDerWaalsContact O-N 3.12Å; N1067-N1069 PolarHBondContact O-N 3.05Å; N1067-S1070 PolarHBondContact O-N 3.22Å; N1067-S1070 VanDerWaalsContact O-N 3.13Å; N1067-S1070 PolarHBondContact O-OG 3.25Å | ||
| 1068 | D | 37.7 | Very low | 46.9 | Very low | 125.6 Ų | 125.6 | 107.7 Ų | 107.7 | 67% | 0.672 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -39.7 | -4.3 | 166 | -130.7 | -13.2 | 0 | 0 | 0 | 114.5 | I1066 S1070 I1071 | I1066-D1068 VanDerWaalsContact C-N 3.3Å; I1066-D1068 PolarHBondContact O-N 2.99Å; I1066-D1068 VanDerWaalsContact O-N 3.11Å; D1068-S1070 VanDerWaalsContact C-N 3.26Å; D1068-S1070 PolarHBondContact O-N 3.37Å; D1068-I1071 VanDerWaalsContact O-CD1 3.29Å; D1068-I1071 WeakPolarHBondContact O-CD1 3.45Å; D1068-I1071 VanDerWaalsContact O-CG1 3.25Å; D1068-I1071 WeakPolarHBondContact O-CG1 3.45Å; D1068-I1071 PolarHBondContact O-N 3.22Å; D1068-I1071 VanDerWaalsContact OD1-CD1 3.25Å; D1068-I1071 WeakPolarHBondContact OD1-CD1 3.19Å |
| 1069 | N | 37.3 | Very low | 44.9 | Very low | 144.2 Ų | 144.2 | 112.3 Ų | 112.3 | 77% | 0.771 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -10.6 | 176.7 | -68.7 | -42.7 | 0 | 0 | 0 | 116.1 | N1067 I1071 | N1067-N1069 PolarHBondContact O-N 3.05Å; N1069-I1071 VanDerWaalsContact C-N 3.33Å; N1069-I1071 PolarHBondContact O-N 3.17Å |
| 1070 | S | 38.2 | Very low | 43.2 | Very low | 64 Ų | 64 | 114.1 Ų | 114.1 | 45% | 0.448 | 60% | 0.598 | S | S | . | * | G | 310 helix | trans | -84.7 | -7.2 | 177.4 | 72.3 | 0 | 0 | 0 | 0 | 114.7 | N1067 D1068 K1072 R1073 | N1067-S1070 PolarHBondContact O-N 3.22Å; N1067-S1070 VanDerWaalsContact O-N 3.13Å; N1067-S1070 PolarHBondContact O-OG 3.25Å; D1068-S1070 VanDerWaalsContact C-N 3.26Å; D1068-S1070 PolarHBondContact O-N 3.37Å; S1070-K1072 PolarHBondContact O-N 3Å; S1070-R1073 PolarHBondContact O-N 3.29Å; S1070-R1073 VanDerWaalsContact O-N 3.15Å |
| 1071 | I | 37.3 | Very low | 42.2 | Very low | 117.2 Ų | 117.2 | 115.3 Ų | 115.3 | 60% | 0.601 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -54.3 | -31.6 | 179.7 | -68.4 | 170.9 | 0 | 0 | 0 | 111.9 | D1068 N1069 R1073 C1074 T1075 | D1068-I1071 VanDerWaalsContact O-CD1 3.29Å; D1068-I1071 WeakPolarHBondContact O-CD1 3.45Å; D1068-I1071 VanDerWaalsContact O-CG1 3.25Å; D1068-I1071 WeakPolarHBondContact O-CG1 3.45Å; D1068-I1071 PolarHBondContact O-N 3.22Å; D1068-I1071 VanDerWaalsContact OD1-CD1 3.25Å; D1068-I1071 WeakPolarHBondContact OD1-CD1 3.19Å; N1069-I1071 VanDerWaalsContact C-N 3.33Å; N1069-I1071 PolarHBondContact O-N 3.17Å; I1071-R1073 VanDerWaalsContact C-N 3.28Å; I1071-R1073 PolarHBondContact O-N 2.96Å; I1071-R1073 VanDerWaalsContact O-N 3.1Å; I1071-C1074 PolarHBondContact O-N 3.24Å; I1071-C1074 VanDerWaalsContact O-N 3.15Å; I1071-T1075 WeakPolarHBondContact O-CG2 3.29Å |
| 1072 | K | 33.6 | Very low | 42 | Very low | 186 Ų | 186 | 118.4 Ų | 118.4 | 81% | 0.809 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -73.2 | -5.4 | 179.1 | -71.5 | -170.4 | 176.6 | -177.3 | 0 | 115.7 | S1070 T1075 | S1070-K1072 PolarHBondContact O-N 3Å; K1072-T1075 PolarHBondContact O-OG1 3.05Å |
| 1073 | R | 31.4 | Very low | 42.3 | Very low | 228.6 Ų | 228.6 | 119.6 Ų | 119.6 | 86% | 0.863 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -108.4 | -2.8 | 177.9 | -113.2 | -170.7 | -77.5 | -165.2 | -2.2 | 115.5 | S1070 I1071 | S1070-R1073 PolarHBondContact O-N 3.29Å; S1070-R1073 VanDerWaalsContact O-N 3.15Å; I1071-R1073 VanDerWaalsContact C-N 3.28Å; I1071-R1073 PolarHBondContact O-N 2.96Å; I1071-R1073 VanDerWaalsContact O-N 3.1Å |
| 1074 | C | 36.1 | Very low | 43.2 | Very low | 95 Ų | 95 | 117.6 Ų | 117.6 | 64% | 0.642 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -105.6 | 17.7 | 174.5 | -70.1 | 0 | 0 | 0 | 0 | 112.8 | I1071 T1076 | I1071-C1074 PolarHBondContact O-N 3.24Å; I1071-C1074 VanDerWaalsContact O-N 3.15Å; C1074-T1076 PolarHBondContact O-N 3.16Å; C1074-T1076 VanDerWaalsContact O-N 3.1Å |
| 1075 | T | 34.9 | Very low | 44.3 | Very low | 97.2 Ų | 97.2 | 115.3 Ų | 115.3 | 60% | 0.596 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 53.1 | 178.4 | 52.1 | 0 | 0 | 0 | 0 | 113.1 | I1071 K1072 D1077 | I1071-T1075 WeakPolarHBondContact O-CG2 3.29Å; K1072-T1075 PolarHBondContact O-OG1 3.05Å; T1075-D1077 PolarHBondContact O-N 3.39Å |
| 1076 | T | 37.2 | Very low | 46 | Very low | 123.6 Ų | 123.6 | 115 Ų | 115 | 76% | 0.758 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -172.1 | -5.9 | 174.5 | 49.1 | 0 | 0 | 0 | 0 | 119.9 | C1074 | C1074-T1076 PolarHBondContact O-N 3.16Å; C1074-T1076 VanDerWaalsContact O-N 3.1Å |
| 1077 | D | 36 | Very low | 47.6 | Very low | 139.2 Ų | 139.2 | 114.1 Ų | 114.1 | 74% | 0.744 | 60% | 0.595 | S | S | * | * | trans | -130.5 | 68.2 | 177.1 | -85.4 | -36.9 | 0 | 0 | 0 | 112.9 | T1075 N1079 | T1075-D1077 PolarHBondContact O-N 3.39Å; D1077-N1079 VanDerWaalsContact C-N 3.28Å; D1077-N1079 PolarHBondContact O-N 3.29Å; D1077-N1079 VanDerWaalsContact O-N 3.09Å | ||
| 1078 | H | 39.3 | Very low | 50 | Low | 156.6 Ų | 156.6 | 112.3 Ų | 112.3 | 73% | 0.725 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -2.4 | -178.5 | -102.6 | -49.5 | 0 | 0 | 0 | 115.7 | ||
| 1079 | N | 44 | Very low | 52.1 | Low | 107.8 Ų | 107.8 | 106.9 Ų | 106.9 | 58% | 0.576 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | 5.1 | -167.1 | -81.2 | -17.9 | 0 | 0 | 0 | 116.4 | D1077 N1341 | D1077-N1079 VanDerWaalsContact C-N 3.28Å; D1077-N1079 PolarHBondContact O-N 3.29Å; D1077-N1079 VanDerWaalsContact O-N 3.09Å; N1079-N1341 PolarHBondContact OD1-ND2 3.24Å; N1079-N1341 VanDerWaalsContact OD1-ND2 3.09Å |
| 1080 | N | 45.7 | Very low | 54.3 | Low | 118.6 Ų | 118.6 | 100.6 Ų | 100.6 | 63% | 0.634 | 52% | 0.517 | S | S | * | . | trans | -122.8 | 94.5 | 176.5 | -84.7 | -20.7 | 0 | 0 | 0 | 110.6 | T1082 | N1080-T1082 PolarHBondContact O-N 3.12Å; N1080-T1082 VanDerWaalsContact O-N 3.08Å | ||
| 1081 | I | 54.3 | Low | 56.6 | Low | 71.4 Ų | 71.4 | 98.3 Ų | 98.3 | 37% | 0.366 | 50% | 0.499 | S | S | . | . | trans | -55.9 | 111.5 | 159.2 | -66.3 | 176 | 0 | 0 | 0 | 106.4 | T1085 L1086 M1340 V1342 | I1081-T1085 HydrophobicContact CG2-CG2 4.22Å; I1081-L1086 HydrophobicContact CG2-CB 4.24Å; I1081-M1340 HydrophobicContact CD1-CG 3.8Å; I1081-M1340 HydrophobicContact CD1-SD 4.45Å; I1081-M1340 HydrophobicContact CG1-CE 4.22Å; I1081-M1340 HydrophobicContact CG1-CG 3.29Å; I1081-M1340 HydrophobicContact CG1-SD 3.5Å; I1081-M1340 VanDerWaalsContact CG1-SD 3.5Å; I1081-V1342 HydrophobicContact CD1-CG2 3.77Å; I1081-V1342 HydrophobicContact CG1-CG2 4.16Å | ||
| 1082 | T | 63 | Low | 59.1 | Low | 67.6 Ų | 67.6 | 92.8 Ų | 92.8 | 42% | 0.415 | 47% | 0.471 | S | S | . | . | trans | -63.1 | 145.6 | 178 | 68.6 | 0 | 0 | 0 | 0 | 109.2 | N1080 N1084 T1085 L1086 | N1080-T1082 PolarHBondContact O-N 3.12Å; N1080-T1082 VanDerWaalsContact O-N 3.08Å; T1082-N1084 PolarHBondContact O-N 3.17Å; T1082-N1084 VanDerWaalsContact O-N 3.09Å; T1082-T1085 WeakPolarHBondContact O-CA 3.28Å; T1082-T1085 WeakPolarHBondContact O-CB 3.38Å; T1082-T1085 PolarHBondContact O-N 3.35Å; T1082-T1085 PolarHBondContact OG1-N 3.25Å; T1082-T1085 VanDerWaalsContact OG1-N 3.1Å; T1082-T1085 PolarHBondContact OG1-OG1 3.28Å; T1082-T1085 VanDerWaalsContact OG1-OG1 3.09Å; T1082-L1086 PolarHBondContact O-N 3.18Å | ||
| 1083 | P | 64.8 | Low | 61.7 | Low | 105.4 Ų | 105.4 | 84 Ų | 84 | 68% | 0.684 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -55.3 | -25.4 | 176.6 | 21.4 | -33.3 | 0 | 0 | 0 | 112.5 | R1087 | P1083-R1087 VanDerWaalsContact O-CB 3.3Å; P1083-R1087 WeakPolarHBondContact O-CB 3.32Å; P1083-R1087 PolarHBondContact O-N 3.19Å; P1083-R1087 VanDerWaalsContact O-N 3.08Å |
| 1084 | N | 72.1 | Confident | 64.4 | Low | 99 Ų | 99 | 73.1 Ų | 73.1 | 53% | 0.529 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 173 | -74.5 | -31 | 0 | 0 | 0 | 113.4 | T1082 L1086 R1087 R1088 | T1082-N1084 PolarHBondContact O-N 3.17Å; T1082-N1084 VanDerWaalsContact O-N 3.09Å; N1084-L1086 VanDerWaalsContact C-N 3.29Å; N1084-L1086 PolarHBondContact O-N 3.12Å; N1084-R1087 PolarHBondContact O-N 3.19Å; N1084-R1088 WeakPolarHBondContact O-CD 3.14Å; N1084-R1088 VanDerWaalsContact O-CG 3.25Å; N1084-R1088 WeakPolarHBondContact O-CG 3.39Å; N1084-R1088 PolarHBondContact O-N 3.26Å |
| 1085 | T | 72.7 | Confident | 67 | Low | 24.8 Ų | 24.8 | 68.6 Ų | 68.6 | 15% | 0.152 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 176.2 | -53.2 | 0 | 0 | 0 | 0 | 110.5 | I1081 T1082 R1087 R1088 L1089 | I1081-T1085 HydrophobicContact CG2-CG2 4.22Å; T1082-T1085 WeakPolarHBondContact O-CA 3.28Å; T1082-T1085 WeakPolarHBondContact O-CB 3.38Å; T1082-T1085 PolarHBondContact O-N 3.35Å; T1082-T1085 PolarHBondContact OG1-N 3.25Å; T1082-T1085 VanDerWaalsContact OG1-N 3.1Å; T1082-T1085 PolarHBondContact OG1-OG1 3.28Å; T1082-T1085 VanDerWaalsContact OG1-OG1 3.09Å; T1085-R1087 PolarHBondContact O-N 3.17Å; T1085-R1088 PolarHBondContact O-N 3.21Å; T1085-L1089 PolarHBondContact O-N 3.16Å |
| 1086 | L | 73.1 | Confident | 69.8 | Low | 63.6 Ų | 63.6 | 64 Ų | 64 | 33% | 0.333 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 176.5 | -173.3 | 62.5 | 0 | 0 | 0 | 111.4 | I1081 T1082 N1084 R1088 L1089 T1090 I1374 T1380 | I1081-L1086 HydrophobicContact CG2-CB 4.24Å; T1082-L1086 PolarHBondContact O-N 3.18Å; N1084-L1086 VanDerWaalsContact C-N 3.29Å; N1084-L1086 PolarHBondContact O-N 3.12Å; L1086-R1088 VanDerWaalsContact C-N 3.28Å; L1086-R1088 PolarHBondContact O-N 3.12Å; L1086-L1089 WeakPolarHBondContact O-CB 3.26Å; L1086-L1089 PolarHBondContact O-N 3.31Å; L1086-L1089 VanDerWaalsContact O-N 3.15Å; L1086-T1090 WeakPolarHBondContact O-CB 3.23Å; L1086-T1090 PolarHBondContact O-N 2.93Å; L1086-T1090 PolarHBondContact O-OG1 3.1Å; L1086-T1090 VanDerWaalsContact O-OG1 3.07Å; L1086-I1374 HydrophobicContact CD1-CD1 3.85Å; L1086-I1374 HydrophobicContact CD2-CD1 3.95Å; L1086-I1374 HydrophobicContact CG-CD1 3.77Å; L1086-T1380 HydrophobicContact CD1-CG2 3.93Å; L1086-T1380 VanDerWaalsContact CD1-CG2 3.47Å; L1086-T1380 HydrophobicContact CD2-CG2 3.8Å; L1086-T1380 HydrophobicContact CG-CG2 3.64Å |
| 1087 | R | 77 | Confident | 72.4 | Confident | 143.4 Ų | 143.4 | 59.6 Ų | 59.6 | 54% | 0.541 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.4 | -39.2 | 176.8 | -175.3 | 179.8 | 180 | -153.5 | 2.6 | 112.6 | P1083 N1084 T1085 M1091 V1370 | P1083-R1087 VanDerWaalsContact O-CB 3.3Å; P1083-R1087 WeakPolarHBondContact O-CB 3.32Å; P1083-R1087 PolarHBondContact O-N 3.19Å; P1083-R1087 VanDerWaalsContact O-N 3.08Å; N1084-R1087 PolarHBondContact O-N 3.19Å; T1085-R1087 PolarHBondContact O-N 3.17Å; R1087-M1091 WeakPolarHBondContact O-CB 3.25Å; R1087-M1091 WeakPolarHBondContact O-CG 3.39Å; R1087-M1091 PolarHBondContact O-N 3.04Å; R1087-V1370 HydrophobicContact CB-CG1 4.48Å; R1087-V1370 HydrophobicContact CG-CG1 4.3Å; R1087-V1370 HydrophobicContact CG-CG2 4.41Å |
| 1088 | R | 83.4 | Confident | 74.9 | Confident | 78.6 Ų | 78.6 | 52.9 Ų | 52.9 | 30% | 0.297 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68 | -44.3 | 176.9 | -69.5 | 168.6 | -178.3 | -162.5 | -5 | 111.8 | Y1057 S1060 D1061 N1084 T1085 L1086 T1090 M1091 R1092 | Y1057-R1088 HydrophobicContact CD1-CB 4.25Å; Y1057-R1088 HydrophobicContact CD1-CG 4.02Å; Y1057-R1088 HydrophobicContact CE1-CG 4.39Å; S1060-R1088 PolarHBondContact O-NH1 3.13Å; D1061-R1088 WeakPolarHBondContact OD1-CD 3.17Å; D1061-R1088 IonicContact OD1-NH1 3.09Å; N1084-R1088 WeakPolarHBondContact O-CD 3.14Å; N1084-R1088 VanDerWaalsContact O-CG 3.25Å; N1084-R1088 WeakPolarHBondContact O-CG 3.39Å; N1084-R1088 PolarHBondContact O-N 3.26Å; T1085-R1088 PolarHBondContact O-N 3.21Å; L1086-R1088 VanDerWaalsContact C-N 3.28Å; L1086-R1088 PolarHBondContact O-N 3.12Å; R1088-T1090 VanDerWaalsContact C-N 3.33Å; R1088-T1090 PolarHBondContact O-N 3.11Å; R1088-M1091 PolarHBondContact O-N 3.05Å; R1088-R1092 WeakPolarHBondContact O-CG 3.32Å; R1088-R1092 PolarHBondContact O-N 3.23Å |
| 1089 | L | 83 | Confident | 77.5 | Confident | 12.8 Ų | 12.8 | 45.5 Ų | 45.5 | 7% | 0.067 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.3 | -47 | 174.1 | 178.2 | 61.6 | 0 | 0 | 0 | 111.2 | T1085 L1086 M1091 R1092 C1093 F1128 E1131 | T1085-L1089 PolarHBondContact O-N 3.16Å; L1086-L1089 WeakPolarHBondContact O-CB 3.26Å; L1086-L1089 PolarHBondContact O-N 3.31Å; L1086-L1089 VanDerWaalsContact O-N 3.15Å; L1089-M1091 VanDerWaalsContact C-N 3.33Å; L1089-M1091 PolarHBondContact O-N 3.19Å; L1089-R1092 WeakPolarHBondContact O-CA 3.34Å; L1089-R1092 WeakPolarHBondContact O-CB 3.33Å; L1089-R1092 PolarHBondContact O-N 3.09Å; L1089-R1092 VanDerWaalsContact O-N 3.13Å; L1089-C1093 PolarHBondContact O-N 3.26Å; L1089-C1093 PolarHBondContact O-SG 3.27Å; L1089-C1093 VanDerWaalsContact O-SG 3.33Å; L1089-F1128 HydrophobicContact CD1-CB 3.76Å; L1089-F1128 HydrophobicContact CD1-CD1 4.39Å; L1089-F1128 HydrophobicContact CD1-CD2 3.98Å; L1089-F1128 HydrophobicContact CD1-CG 3.8Å; L1089-F1128 HydrophobicContact CD2-CB 4.18Å; L1089-F1128 HydrophobicContact CD2-CD1 3.69Å; L1089-F1128 HydrophobicContact CD2-CE1 4.22Å; L1089-F1128 HydrophobicContact CD2-CG 3.92Å; L1089-F1128 HydrophobicContact CG-CB 4.49Å; L1089-F1128 HydrophobicContact CG-CG 4.36Å; L1089-E1131 HydrophobicContact CD1-CB 4.11Å |
| 1090 | T | 83.3 | Confident | 79.7 | Confident | 11.8 Ų | 11.8 | 40.5 Ų | 40.5 | 7% | 0.072 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.4 | -46.7 | 175.7 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | L1086 R1088 R1092 C1093 L1094 V1370 L1373 I1374 Y1379 | L1086-T1090 WeakPolarHBondContact O-CB 3.23Å; L1086-T1090 PolarHBondContact O-N 2.93Å; L1086-T1090 PolarHBondContact O-OG1 3.1Å; L1086-T1090 VanDerWaalsContact O-OG1 3.07Å; R1088-T1090 VanDerWaalsContact C-N 3.33Å; R1088-T1090 PolarHBondContact O-N 3.11Å; T1090-R1092 VanDerWaalsContact C-N 3.31Å; T1090-R1092 PolarHBondContact O-N 3.23Å; T1090-C1093 PolarHBondContact O-N 3.11Å; T1090-L1094 HydrophobicContact CG2-CD1 3.95Å; T1090-L1094 HydrophobicContact CG2-CG 4.33Å; T1090-L1094 WeakPolarHBondContact O-CB 3.44Å; T1090-L1094 VanDerWaalsContact O-CG 3.26Å; T1090-L1094 WeakPolarHBondContact O-CG 3.37Å; T1090-L1094 PolarHBondContact O-N 2.96Å; T1090-V1370 HydrophobicContact CG2-CG1 4Å; T1090-L1373 HydrophobicContact CG2-CD2 4.23Å; T1090-I1374 HydrophobicContact CG2-CD1 4.09Å; T1090-I1374 HydrophobicContact CG2-CG1 3.84Å; T1090-I1374 HydrophobicContact CG2-CG2 3.64Å; T1090-I1374 WeakPolarHBondContact OG1-CD1 3.19Å; T1090-I1374 WeakPolarHBondContact OG1-CG1 3.36Å; T1090-Y1379 HydrophobicContact CG2-CD2 4.23Å |
| 1091 | M | 85.9 | Confident | 81.8 | Confident | 16.4 Ų | 16.4 | 35.2 Ų | 35.2 | 8% | 0.081 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64 | -37.3 | 177.3 | -75.5 | -61.9 | -62.3 | 0 | 0 | 112.8 | P998 Y1057 R1087 R1088 L1089 L1094 C1095 | P998-M1091 HydrophobicContact CB-CE 4.33Å; P998-M1091 HydrophobicContact CB-SD 3.65Å; Y1057-M1091 HydrophobicContact CD1-CB 4.43Å; Y1057-M1091 HydrophobicContact CD2-CB 3.72Å; Y1057-M1091 HydrophobicContact CE1-CB 4.2Å; Y1057-M1091 HydrophobicContact CE1-CG 4.38Å; Y1057-M1091 HydrophobicContact CE2-CB 3.43Å; Y1057-M1091 VanDerWaalsContact CE2-CB 3.45Å; Y1057-M1091 HydrophobicContact CE2-CE 3.75Å; Y1057-M1091 HydrophobicContact CE2-CG 3.92Å; Y1057-M1091 HydrophobicContact CG-CB 4.22Å; R1087-M1091 WeakPolarHBondContact O-CB 3.25Å; R1087-M1091 WeakPolarHBondContact O-CG 3.39Å; R1087-M1091 PolarHBondContact O-N 3.04Å; R1088-M1091 PolarHBondContact O-N 3.05Å; L1089-M1091 VanDerWaalsContact C-N 3.33Å; L1089-M1091 PolarHBondContact O-N 3.19Å; M1091-L1094 PolarHBondContact O-N 3.11Å; M1091-L1094 HydrophobicContact SD-CD1 4.35Å; M1091-C1095 WeakPolarHBondContact O-CB 3.42Å; M1091-C1095 PolarHBondContact O-N 3.05Å; M1091-C1095 PolarHBondContact O-SG 3.35Å |
| 1092 | R | 89.8 | Confident | 83.4 | Confident | 1.2 Ų | 1.2 | 31.8 Ų | 31.8 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.7 | -51.5 | 173.9 | -75.7 | -175.6 | -71.4 | 159.3 | -11 | 111.3 | Y1054 Y1057 V1058 D1061 R1088 L1089 T1090 L1094 C1095 L1096 E1131 | Y1054-R1092 HydrophobicContact CD2-CB 3.89Å; Y1054-R1092 HydrophobicContact CD2-CG 3.94Å; Y1054-R1092 HydrophobicContact CE2-CB 3.87Å; Y1054-R1092 HydrophobicContact CE2-CG 3.98Å; Y1057-R1092 VanDerWaalsContact CB-CG 3.47Å; Y1057-R1092 HydrophobicContact CG-CG 4.45Å; V1058-R1092 HydrophobicContact CG2-CG 4.42Å; D1061-R1092 IonicContact OD2-CZ 3.15Å; D1061-R1092 VanDerWaalsContact OD2-CZ 3.26Å; D1061-R1092 IonicContact OD2-NE 3.87Å; D1061-R1092 PolarHBondContact OD2-NE 3.27Å; D1061-R1092 VanDerWaalsContact OD2-NE 3.12Å; D1061-R1092 IonicContact OD2-NH1 3.5Å; D1061-R1092 PolarHBondContact OD2-NH1 2.85Å; D1061-R1092 VanDerWaalsContact OD2-NH1 3.14Å; D1061-R1092 IonicContact OD2-NH2 3.33Å; D1061-R1092 PolarHBondContact OD2-NH2 3.05Å; R1088-R1092 WeakPolarHBondContact O-CG 3.32Å; R1088-R1092 PolarHBondContact O-N 3.23Å; L1089-R1092 WeakPolarHBondContact O-CA 3.34Å; L1089-R1092 WeakPolarHBondContact O-CB 3.33Å; L1089-R1092 PolarHBondContact O-N 3.09Å; L1089-R1092 VanDerWaalsContact O-N 3.13Å; T1090-R1092 VanDerWaalsContact C-N 3.31Å; T1090-R1092 PolarHBondContact O-N 3.23Å; R1092-L1094 PolarHBondContact O-N 3.14Å; R1092-C1095 PolarHBondContact O-N 3.07Å; R1092-L1096 WeakPolarHBondContact O-CG 3.28Å; R1092-L1096 PolarHBondContact O-N 3.13Å; R1092-E1131 WeakPolarHBondContact CD-OE1 3.48Å; R1092-E1131 IonicContact CZ-OE1 3.06Å; R1092-E1131 IonicContact CZ-OE2 3.12Å; R1092-E1131 IonicContact NH1-OE1 3.07Å; R1092-E1131 PolarHBondContact NH1-OE1 3.28Å; R1092-E1131 IonicContact NH1-OE2 3.5Å; R1092-E1131 PolarHBondContact NH1-OE2 2.89Å |
| 1093 | C | 88.9 | Confident | 84.8 | Confident | 0.4 Ų | 0.4 | 28.6 Ų | 28.6 | 0% | 0.003 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.4 | -42.7 | 179.1 | -61.3 | 0 | 0 | 0 | 0 | 112.1 | L1089 T1090 C1095 L1096 H1097 Y1379 | L1089-C1093 PolarHBondContact O-N 3.26Å; L1089-C1093 PolarHBondContact O-SG 3.27Å; L1089-C1093 VanDerWaalsContact O-SG 3.33Å; T1090-C1093 PolarHBondContact O-N 3.11Å; C1093-C1095 VanDerWaalsContact C-N 3.34Å; C1093-C1095 PolarHBondContact O-N 2.95Å; C1093-L1096 PolarHBondContact O-N 3.07Å; C1093-H1097 VanDerWaalsContact O-CB 3.29Å; C1093-H1097 WeakPolarHBondContact O-CB 3.46Å; C1093-H1097 PolarHBondContact O-N 3.22Å; C1093-Y1379 HydrophobicContact CB-CD1 3.67Å; C1093-Y1379 HydrophobicContact CB-CD2 4.37Å; C1093-Y1379 HydrophobicContact CB-CE1 3.76Å; C1093-Y1379 HydrophobicContact CB-CE2 4.43Å; C1093-Y1379 HydrophobicContact CB-CG 4.07Å |
| 1094 | L | 87.5 | Confident | 85.9 | Confident | 1.4 Ų | 1.4 | 27 Ų | 27 | 1% | 0.007 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.2 | -42 | 175.2 | -75.3 | 172.8 | 0 | 0 | 0 | 112.2 | P998 L1005 L1009 T1090 M1091 R1092 A1098 L1373 I1374 L1377 Y1379 | P998-L1094 HydrophobicContact CB-CD1 3.81Å; P998-L1094 HydrophobicContact CG-CD1 3.94Å; L1005-L1094 HydrophobicContact CD1-CB 3.88Å; L1009-L1094 HydrophobicContact CD1-CD2 3.62Å; T1090-L1094 HydrophobicContact CG2-CD1 3.95Å; T1090-L1094 HydrophobicContact CG2-CG 4.33Å; T1090-L1094 WeakPolarHBondContact O-CB 3.44Å; T1090-L1094 VanDerWaalsContact O-CG 3.26Å; T1090-L1094 WeakPolarHBondContact O-CG 3.37Å; T1090-L1094 PolarHBondContact O-N 2.96Å; M1091-L1094 PolarHBondContact O-N 3.11Å; M1091-L1094 HydrophobicContact SD-CD1 4.35Å; R1092-L1094 PolarHBondContact O-N 3.14Å; L1094-A1098 VanDerWaalsContact O-CB 3.25Å; L1094-A1098 WeakPolarHBondContact O-CB 3.35Å; L1094-A1098 PolarHBondContact O-N 3.07Å; L1094-L1373 HydrophobicContact CD1-CD2 3.75Å; L1094-L1373 HydrophobicContact CD2-CD2 4.22Å; L1094-L1373 HydrophobicContact CG-CD2 4.47Å; L1094-I1374 HydrophobicContact CD1-CD1 4.28Å; L1094-I1374 HydrophobicContact CD1-CG1 4.43Å; L1094-L1377 HydrophobicContact CD2-CD1 3.86Å; L1094-Y1379 HydrophobicContact CD2-CE2 3.83Å; L1094-Y1379 HydrophobicContact CG-CD2 4.48Å; L1094-Y1379 HydrophobicContact CG-CE2 3.94Å |
| 1095 | C | 91.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64 | -47.4 | 176.8 | -67.3 | 0 | 0 | 0 | 0 | 111 | M1091 R1092 C1093 H1097 A1098 M1099 | M1091-C1095 WeakPolarHBondContact O-CB 3.42Å; M1091-C1095 PolarHBondContact O-N 3.05Å; M1091-C1095 PolarHBondContact O-SG 3.35Å; R1092-C1095 PolarHBondContact O-N 3.07Å; C1093-C1095 VanDerWaalsContact C-N 3.34Å; C1093-C1095 PolarHBondContact O-N 2.95Å; C1095-H1097 PolarHBondContact O-N 3.25Å; C1095-A1098 PolarHBondContact O-N 3.11Å; C1095-M1099 WeakPolarHBondContact O-CB 3.27Å; C1095-M1099 VanDerWaalsContact O-CG 3.23Å; C1095-M1099 WeakPolarHBondContact O-CG 3.35Å; C1095-M1099 PolarHBondContact O-N 3.03Å |
| 1096 | L | 93.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.7 | -42.5 | 178.9 | -70.8 | 171.7 | 0 | 0 | 0 | 112.7 | Y1054 R1092 C1093 M1099 S1100 E1131 C1134 L1135 L1138 | Y1054-L1096 HydrophobicContact CD1-CD2 4.17Å; Y1054-L1096 HydrophobicContact CD2-CD1 4.14Å; Y1054-L1096 HydrophobicContact CD2-CD2 4.07Å; Y1054-L1096 HydrophobicContact CD2-CG 3.79Å; Y1054-L1096 HydrophobicContact CE1-CD2 4.05Å; Y1054-L1096 HydrophobicContact CE2-CD1 3.59Å; Y1054-L1096 HydrophobicContact CE2-CD2 3.99Å; Y1054-L1096 HydrophobicContact CE2-CG 3.73Å; Y1054-L1096 HydrophobicContact CG-CD2 4.18Å; Y1054-L1096 HydrophobicContact CG-CG 4.33Å; R1092-L1096 WeakPolarHBondContact O-CG 3.28Å; R1092-L1096 PolarHBondContact O-N 3.13Å; C1093-L1096 PolarHBondContact O-N 3.07Å; L1096-M1099 WeakPolarHBondContact O-CB 3.3Å; L1096-M1099 PolarHBondContact O-N 3.16Å; L1096-S1100 PolarHBondContact O-N 2.86Å; L1096-S1100 PolarHBondContact O-OG 3.11Å; L1096-E1131 HydrophobicContact CD1-CG 4.01Å; L1096-C1134 HydrophobicContact CB-CB 3.74Å; L1096-C1134 HydrophobicContact CD1-CB 3.94Å; L1096-C1134 HydrophobicContact CG-CB 4.49Å; L1096-L1135 HydrophobicContact CD1-CD2 3.93Å; L1096-L1135 HydrophobicContact CD1-CG 3.78Å; L1096-L1135 HydrophobicContact CD2-CD2 3.69Å; L1096-L1135 HydrophobicContact CD2-CG 4.43Å; L1096-L1135 HydrophobicContact CG-CD2 4.46Å; L1096-L1138 HydrophobicContact CD2-CD2 3.75Å |
| 1097 | H | 90.4 | Very high | 87.7 | Confident | 31 Ų | 31 | 23.2 Ų | 23.2 | 14% | 0.144 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.1 | -45 | 176.7 | -164.6 | 166.6 | 0 | 0 | 0 | 110.8 | L1009 C1093 C1095 M1099 S1100 V1101 Y1379 | L1009-H1097 HydrophobicContact CD1-CB 4.27Å; L1009-H1097 HydrophobicContact CD2-CB 4.24Å; C1093-H1097 VanDerWaalsContact O-CB 3.29Å; C1093-H1097 WeakPolarHBondContact O-CB 3.46Å; C1093-H1097 PolarHBondContact O-N 3.22Å; C1095-H1097 PolarHBondContact O-N 3.25Å; H1097-M1099 VanDerWaalsContact C-N 3.3Å; H1097-M1099 PolarHBondContact O-N 3.04Å; H1097-S1100 WeakPolarHBondContact O-CA 3.44Å; H1097-S1100 VanDerWaalsContact O-CB 3.26Å; H1097-S1100 WeakPolarHBondContact O-CB 3.35Å; H1097-S1100 PolarHBondContact O-N 2.97Å; H1097-S1100 VanDerWaalsContact O-N 3.08Å; H1097-S1100 PolarHBondContact O-OG 3.19Å; H1097-V1101 PolarHBondContact O-N 3.15Å; H1097-V1101 VanDerWaalsContact O-N 3.08Å; H1097-Y1379 WeakPolarHBondContact CB-OH 3.34Å; H1097-Y1379 PolarHBondContact CE1-OH 3.18Å; H1097-Y1379 VanDerWaalsContact CE1-OH 3.25Å; H1097-Y1379 AromaticContact ND1-CE1 3.67Å; H1097-Y1379 AromaticContact ND1-CZ 3.63Å; H1097-Y1379 PolarHBondContact ND1-OH 3.09Å |
| 1098 | A | 89.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.6 | -40.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1005 L1008 L1050 L1094 C1095 S1100 V1101 V1102 | L1005-A1098 HydrophobicContact CD2-CB 3.94Å; L1008-A1098 HydrophobicContact CD2-CB 4.13Å; L1050-A1098 HydrophobicContact CD1-CB 3.92Å; L1050-A1098 HydrophobicContact CD2-CB 3.96Å; L1094-A1098 VanDerWaalsContact O-CB 3.25Å; L1094-A1098 WeakPolarHBondContact O-CB 3.35Å; L1094-A1098 PolarHBondContact O-N 3.07Å; C1095-A1098 PolarHBondContact O-N 3.11Å; A1098-S1100 VanDerWaalsContact C-N 3.31Å; A1098-S1100 PolarHBondContact O-N 3.32Å; A1098-V1101 PolarHBondContact O-N 3.07Å; A1098-V1102 WeakPolarHBondContact O-CB 3.36Å; A1098-V1102 VanDerWaalsContact O-CG2 3.23Å; A1098-V1102 WeakPolarHBondContact O-CG2 3.38Å; A1098-V1102 PolarHBondContact O-N 3.05Å |
| 1099 | M | 93.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.4 | -41.2 | 173.4 | -74 | 171.2 | 69.2 | 0 | 0 | 111.9 | F1047 L1050 F1051 C1095 L1096 H1097 V1101 V1102 Y1103 L1138 | F1047-M1099 HydrophobicContact CD2-CB 4.2Å; F1047-M1099 HydrophobicContact CD2-CG 4.21Å; F1047-M1099 HydrophobicContact CE1-CE 3.78Å; F1047-M1099 HydrophobicContact CE2-CB 3.71Å; F1047-M1099 HydrophobicContact CE2-CE 3.77Å; F1047-M1099 HydrophobicContact CE2-CG 4.01Å; F1047-M1099 HydrophobicContact CZ-CB 4.42Å; F1047-M1099 HydrophobicContact CZ-CE 3.33Å; F1047-M1099 HydrophobicContact CZ-CG 4.49Å; L1050-M1099 HydrophobicContact CB-CG 3.54Å; L1050-M1099 VanDerWaalsContact CB-CG 3.49Å; L1050-M1099 HydrophobicContact CB-SD 4.21Å; L1050-M1099 HydrophobicContact CD1-CG 3.95Å; L1050-M1099 HydrophobicContact CG-CG 4.38Å; F1051-M1099 HydrophobicContact CB-CE 3.76Å; F1051-M1099 HydrophobicContact CB-SD 4.06Å; F1051-M1099 HydrophobicContact CD2-CE 3.63Å; F1051-M1099 HydrophobicContact CD2-SD 4.19Å; F1051-M1099 HydrophobicContact CG-CE 4.03Å; C1095-M1099 WeakPolarHBondContact O-CB 3.27Å; C1095-M1099 VanDerWaalsContact O-CG 3.23Å; C1095-M1099 WeakPolarHBondContact O-CG 3.35Å; C1095-M1099 PolarHBondContact O-N 3.03Å; L1096-M1099 WeakPolarHBondContact O-CB 3.3Å; L1096-M1099 PolarHBondContact O-N 3.16Å; H1097-M1099 VanDerWaalsContact C-N 3.3Å; H1097-M1099 PolarHBondContact O-N 3.04Å; M1099-V1101 VanDerWaalsContact C-N 3.34Å; M1099-V1101 PolarHBondContact O-N 2.66Å; M1099-V1102 PolarHBondContact O-N 3.29Å; M1099-Y1103 VanDerWaalsContact O-CB 3.27Å; M1099-Y1103 WeakPolarHBondContact O-CB 3.4Å; M1099-Y1103 PolarHBondContact O-N 3.22Å; M1099-L1138 HydrophobicContact CB-CD1 3.74Å; M1099-L1138 HydrophobicContact CB-CD2 4.32Å; M1099-L1138 HydrophobicContact CE-CD1 4.48Å; M1099-L1138 HydrophobicContact CE-CD2 3.79Å; M1099-L1138 HydrophobicContact SD-CD2 4.36Å |
| 1100 | S | 91.4 | Very high | 88.5 | Confident | 2.8 Ų | 2.8 | 26.1 Ų | 26.1 | 2% | 0.02 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.6 | -44.5 | 178.2 | 35.6 | 0 | 0 | 0 | 0 | 111.4 | L1096 H1097 A1098 H1104 L1137 L1138 K1141 | L1096-S1100 PolarHBondContact O-N 2.86Å; L1096-S1100 PolarHBondContact O-OG 3.11Å; H1097-S1100 WeakPolarHBondContact O-CA 3.44Å; H1097-S1100 VanDerWaalsContact O-CB 3.26Å; H1097-S1100 WeakPolarHBondContact O-CB 3.35Å; H1097-S1100 PolarHBondContact O-N 2.97Å; H1097-S1100 VanDerWaalsContact O-N 3.08Å; H1097-S1100 PolarHBondContact O-OG 3.19Å; A1098-S1100 VanDerWaalsContact C-N 3.31Å; A1098-S1100 PolarHBondContact O-N 3.32Å; S1100-H1104 VanDerWaalsContact O-CB 3.27Å; S1100-H1104 WeakPolarHBondContact O-CB 3.36Å; S1100-H1104 PolarHBondContact O-N 3.17Å; S1100-L1137 WeakPolarHBondContact OG-CG 3.28Å; S1100-L1138 WeakPolarHBondContact OG-CA 3.32Å; S1100-L1138 WeakPolarHBondContact OG-CB 3.19Å; S1100-L1138 PolarHBondContact OG-N 3.3Å; S1100-L1138 VanDerWaalsContact OG-N 3.12Å; S1100-K1141 VanDerWaalsContact OG-CG 3.27Å; S1100-K1141 WeakPolarHBondContact OG-CG 3.41Å |
| 1101 | V | 88.1 | Confident | 88.8 | Confident | 6.2 Ų | 6.2 | 26.2 Ų | 26.2 | 4% | 0.038 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.5 | -49.9 | 177 | 167.5 | 0 | 0 | 0 | 0 | 111.3 | L1009 D1012 L1037 H1097 A1098 M1099 Y1103 H1104 R1105 | L1009-V1101 HydrophobicContact CD2-CG2 3.83Å; D1012-V1101 HydrophobicContact CB-CG1 3.79Å; D1012-V1101 HydrophobicContact CB-CG2 4.11Å; D1012-V1101 VanDerWaalsContact OD1-CG1 3.29Å; D1012-V1101 WeakPolarHBondContact OD1-CG1 3.36Å; D1012-V1101 WeakPolarHBondContact OD2-CG2 3.39Å; L1037-V1101 HydrophobicContact CD1-CG1 4.31Å; H1097-V1101 PolarHBondContact O-N 3.15Å; H1097-V1101 VanDerWaalsContact O-N 3.08Å; A1098-V1101 PolarHBondContact O-N 3.07Å; M1099-V1101 VanDerWaalsContact C-N 3.34Å; M1099-V1101 PolarHBondContact O-N 2.66Å; V1101-Y1103 PolarHBondContact O-N 3.07Å; V1101-H1104 PolarHBondContact O-N 3.16Å; V1101-R1105 PolarHBondContact O-N 3.19Å |
| 1102 | V | 89.2 | Confident | 89 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.8 | -46.7 | -179.9 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | L1008 I1040 F1046 F1047 L1050 A1098 M1099 H1104 R1105 C1106 I1110 | L1008-V1102 HydrophobicContact CD2-CG2 4.34Å; I1040-V1102 HydrophobicContact CD1-CG2 4.1Å; F1046-V1102 HydrophobicContact CD1-CG1 4.49Å; F1046-V1102 HydrophobicContact CD1-CG2 3.84Å; F1046-V1102 HydrophobicContact CE1-CG2 3.67Å; F1047-V1102 HydrophobicContact CB-CG1 4.39Å; F1047-V1102 HydrophobicContact CD2-CG1 4.38Å; L1050-V1102 HydrophobicContact CD1-CG2 4.3Å; A1098-V1102 WeakPolarHBondContact O-CB 3.36Å; A1098-V1102 VanDerWaalsContact O-CG2 3.23Å; A1098-V1102 WeakPolarHBondContact O-CG2 3.38Å; A1098-V1102 PolarHBondContact O-N 3.05Å; M1099-V1102 PolarHBondContact O-N 3.29Å; V1102-H1104 PolarHBondContact O-N 3.26Å; V1102-R1105 PolarHBondContact O-N 3.03Å; V1102-C1106 VanDerWaalsContact O-CB 3.29Å; V1102-C1106 WeakPolarHBondContact O-CB 3.34Å; V1102-C1106 PolarHBondContact O-N 3.22Å; V1102-I1110 HydrophobicContact CG1-CD1 3.93Å |
| 1103 | Y | 91.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67 | -41 | 179.6 | -162.9 | -90.2 | 0 | 0 | 0 | 112.1 | F1047 M1099 V1101 R1105 C1106 H1107 I1110 G1111 I1113 K1141 L1142 N1145 N1148 | F1047-Y1103 HydrophobicContact CD2-CD2 4.47Å; F1047-Y1103 AromaticContact CE2-CD2 3.97Å; F1047-Y1103 HydrophobicContact CE2-CD2 4.06Å; F1047-Y1103 HydrophobicContact CE2-CG 4.43Å; F1047-Y1103 HydrophobicContact CZ-CD2 4.31Å; M1099-Y1103 VanDerWaalsContact O-CB 3.27Å; M1099-Y1103 WeakPolarHBondContact O-CB 3.4Å; M1099-Y1103 PolarHBondContact O-N 3.22Å; V1101-Y1103 PolarHBondContact O-N 3.07Å; Y1103-R1105 PolarHBondContact O-N 3.15Å; Y1103-R1105 VanDerWaalsContact O-N 3.12Å; Y1103-C1106 PolarHBondContact O-N 3.21Å; Y1103-H1107 HydrophobicContact CD1-CB 3.81Å; Y1103-H1107 HydrophobicContact CE1-CB 3.46Å; Y1103-H1107 VanDerWaalsContact CE1-CB 3.49Å; Y1103-H1107 HydrophobicContact CE2-CB 4.34Å; Y1103-H1107 HydrophobicContact CG-CB 4.39Å; Y1103-H1107 WeakPolarHBondContact O-CA 3.35Å; Y1103-H1107 VanDerWaalsContact O-CB 3.25Å; Y1103-H1107 WeakPolarHBondContact O-CB 3.27Å; Y1103-H1107 PolarHBondContact O-N 3.2Å; Y1103-I1110 HydrophobicContact CD2-CB 4.29Å; Y1103-I1110 HydrophobicContact CD2-CD1 4.05Å; Y1103-I1110 HydrophobicContact CD2-CG2 4.02Å; Y1103-I1110 HydrophobicContact CE2-CB 4.17Å; Y1103-I1110 HydrophobicContact CE2-CG2 3.87Å; Y1103-G1111 WeakPolarHBondContact CE2-O 3.42Å; Y1103-G1111 PolarHBondContact OH-O 3.21Å; Y1103-I1113 HydrophobicContact CD2-CD1 3.9Å; Y1103-I1113 HydrophobicContact CE2-CD1 3.71Å; Y1103-I1113 HydrophobicContact CE2-CG1 4.1Å; Y1103-K1141 HydrophobicContact CD1-CB 4.47Å; Y1103-K1141 VanDerWaalsContact CD1-O 3.28Å; Y1103-K1141 WeakPolarHBondContact CD1-O 3.42Å; Y1103-K1141 VanDerWaalsContact CE1-O 3.31Å; Y1103-K1141 WeakPolarHBondContact CE1-O 3.31Å; Y1103-L1142 HydrophobicContact CD1-CD2 3.56Å; Y1103-L1142 VanDerWaalsContact CD1-CD2 3.47Å; Y1103-L1142 HydrophobicContact CD2-CD2 3.58Å; Y1103-L1142 HydrophobicContact CE1-CD2 3.81Å; Y1103-L1142 HydrophobicContact CE2-CD2 3.84Å; Y1103-L1142 HydrophobicContact CG-CD2 3.43Å; Y1103-L1142 VanDerWaalsContact CG-CD2 3.41Å; Y1103-N1145 WeakPolarHBondContact OH-CB 3.37Å; Y1103-N1148 PolarHBondContact OH-ND2 2.95Å |
| 1104 | H | 89.1 | Confident | 89 | Confident | 72.8 Ų | 72.8 | 35.3 Ų | 35.3 | 34% | 0.337 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -53.8 | -39.2 | 179.5 | -177.3 | 30.8 | 0 | 0 | 0 | 112.6 | S1100 V1101 V1102 H1107 K1141 | S1100-H1104 VanDerWaalsContact O-CB 3.27Å; S1100-H1104 WeakPolarHBondContact O-CB 3.36Å; S1100-H1104 PolarHBondContact O-N 3.17Å; V1101-H1104 PolarHBondContact O-N 3.16Å; V1102-H1104 PolarHBondContact O-N 3.26Å; H1104-H1107 PolarHBondContact O-ND1 3.4Å; H1104-K1141 HydrophobicContact CB-CB 4.38Å; H1104-K1141 HydrophobicContact CB-CD 3.91Å; H1104-K1141 HydrophobicContact CB-CG 4.05Å; H1104-K1141 VanDerWaalsContact CD2-CE 3.45Å; H1104-K1141 WeakPolarHBondContact CD2-CE 3.24Å; H1104-K1141 PolarHBondContact CD2-NZ 2.69Å; H1104-K1141 PolarHBondContact NE2-NZ 3.36Å |
| 1105 | R | 84 | Confident | 89 | Confident | 43.8 Ų | 43.8 | 38.1 Ų | 38.1 | 17% | 0.165 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -93.1 | -33.1 | -177.8 | -57.2 | -170.7 | -171.9 | -154.8 | 2.8 | 113.5 | D1012 L1033 M1035 L1037 V1101 V1102 Y1103 H1108 | D1012-R1105 IonicContact OD1-CZ 3.62Å; D1012-R1105 VanDerWaalsContact OD1-CZ 3.3Å; D1012-R1105 IonicContact OD1-NE 3.5Å; D1012-R1105 PolarHBondContact OD1-NE 2.92Å; D1012-R1105 VanDerWaalsContact OD1-NE 3.12Å; D1012-R1105 IonicContact OD1-NH2 3.27Å; D1012-R1105 PolarHBondContact OD1-NH2 3.2Å; L1033-R1105 PolarHBondContact O-NH1 3.02Å; M1035-R1105 PolarHBondContact O-NH1 2.89Å; L1037-R1105 HydrophobicContact CD1-CB 3.71Å; L1037-R1105 VanDerWaalsContact CD1-CD 3.44Å; L1037-R1105 HydrophobicContact CD1-CG 3.94Å; L1037-R1105 HydrophobicContact CG-CB 4.25Å; L1037-R1105 VanDerWaalsContact CG-CD 3.49Å; V1101-R1105 PolarHBondContact O-N 3.19Å; V1102-R1105 PolarHBondContact O-N 3.03Å; Y1103-R1105 PolarHBondContact O-N 3.15Å; Y1103-R1105 VanDerWaalsContact O-N 3.12Å; R1105-H1108 PolarHBondContact O-CE1 3.35Å; R1105-H1108 VanDerWaalsContact O-CE1 3.3Å |
| 1106 | C | 85.7 | Confident | 89.1 | Confident | 13.8 Ų | 13.8 | 38.1 Ų | 38.1 | 9% | 0.093 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -110.1 | 18.2 | -174.1 | -61.7 | 0 | 0 | 0 | 0 | 114.2 | L1037 V1102 Y1103 H1108 E1109 I1110 | L1037-C1106 VanDerWaalsContact CD1-SG 3.58Å; V1102-C1106 VanDerWaalsContact O-CB 3.29Å; V1102-C1106 WeakPolarHBondContact O-CB 3.34Å; V1102-C1106 PolarHBondContact O-N 3.22Å; Y1103-C1106 PolarHBondContact O-N 3.21Å; C1106-H1108 PolarHBondContact O-N 3.2Å; C1106-H1108 VanDerWaalsContact O-N 3.11Å; C1106-E1109 PolarHBondContact O-N 3.14Å; C1106-E1109 PolarHBondContact SG-OE2 3.28Å; C1106-I1110 HydrophobicContact CB-CD1 3.95Å; C1106-I1110 HydrophobicContact CB-CG1 4.3Å; C1106-I1110 WeakPolarHBondContact O-CG1 3.43Å; C1106-I1110 PolarHBondContact O-N 3.18Å |
| 1107 | H | 86.1 | Confident | 89 | Confident | 49.2 Ų | 49.2 | 39.2 Ų | 39.2 | 23% | 0.228 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.5 | -25.8 | -176.9 | 68.8 | 87 | 0 | 0 | 0 | 114.3 | Y1103 H1104 G1111 | Y1103-H1107 HydrophobicContact CD1-CB 3.81Å; Y1103-H1107 HydrophobicContact CE1-CB 3.46Å; Y1103-H1107 VanDerWaalsContact CE1-CB 3.49Å; Y1103-H1107 HydrophobicContact CE2-CB 4.34Å; Y1103-H1107 HydrophobicContact CG-CB 4.39Å; Y1103-H1107 WeakPolarHBondContact O-CA 3.35Å; Y1103-H1107 VanDerWaalsContact O-CB 3.25Å; Y1103-H1107 WeakPolarHBondContact O-CB 3.27Å; Y1103-H1107 PolarHBondContact O-N 3.2Å; H1104-H1107 PolarHBondContact O-ND1 3.4Å; H1107-G1111 WeakPolarHBondContact O-CA 3.28Å; H1107-G1111 PolarHBondContact O-N 3.16Å |
| 1108 | H | 85.1 | Confident | 88.9 | Confident | 148 Ų | 148 | 40.1 Ų | 40.1 | 69% | 0.685 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -71.5 | -34.6 | 176.5 | -24 | -70 | 0 | 0 | 0 | 112.7 | R1105 C1106 | R1105-H1108 PolarHBondContact O-CE1 3.35Å; R1105-H1108 VanDerWaalsContact O-CE1 3.3Å; C1106-H1108 PolarHBondContact O-N 3.2Å; C1106-H1108 VanDerWaalsContact O-N 3.11Å |
| 1109 | E | 85.6 | Confident | 89.1 | Confident | 123 Ų | 123 | 40.2 Ų | 40.2 | 58% | 0.575 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -81.6 | -41.6 | 177.7 | -63.3 | 176.4 | 170.8 | 0 | 0 | 111.5 | S1043 C1106 | S1043-E1109 WeakPolarHBondContact CB-OE2 3.33Å; S1043-E1109 PolarHBondContact OG-OE2 3.29Å; C1106-E1109 PolarHBondContact O-N 3.14Å; C1106-E1109 PolarHBondContact SG-OE2 3.28Å |
| 1110 | I | 88.1 | Confident | 89 | Confident | 24.6 Ų | 24.6 | 40.1 Ų | 40.1 | 13% | 0.126 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72.6 | -39 | -177.9 | -61.2 | 166.8 | 0 | 0 | 0 | 111.1 | T1044 F1047 V1102 Y1103 C1106 I1113 | T1044-I1110 HydrophobicContact CG2-CG1 4.31Å; F1047-I1110 HydrophobicContact CB-CD1 4.08Å; F1047-I1110 HydrophobicContact CD1-CG2 4.37Å; F1047-I1110 HydrophobicContact CD2-CD1 4.13Å; F1047-I1110 HydrophobicContact CG-CD1 4.2Å; F1047-I1110 HydrophobicContact CG-CG2 4.45Å; V1102-I1110 HydrophobicContact CG1-CD1 3.93Å; Y1103-I1110 HydrophobicContact CD2-CB 4.29Å; Y1103-I1110 HydrophobicContact CD2-CD1 4.05Å; Y1103-I1110 HydrophobicContact CD2-CG2 4.02Å; Y1103-I1110 HydrophobicContact CE2-CB 4.17Å; Y1103-I1110 HydrophobicContact CE2-CG2 3.87Å; C1106-I1110 HydrophobicContact CB-CD1 3.95Å; C1106-I1110 HydrophobicContact CB-CG1 4.3Å; C1106-I1110 WeakPolarHBondContact O-CG1 3.43Å; C1106-I1110 PolarHBondContact O-N 3.18Å; I1110-I1113 HydrophobicContact CG2-CD1 3.74Å |
| 1111 | G | 89.6 | Confident | 88.9 | Confident | 13.8 Ų | 13.8 | 42.8 Ų | 42.8 | 14% | 0.142 | 22% | 0.221 | C | C | . | . | trans | 73.1 | -154.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y1103 H1107 N1145 | Y1103-G1111 WeakPolarHBondContact CE2-O 3.42Å; Y1103-G1111 PolarHBondContact OH-O 3.21Å; H1107-G1111 WeakPolarHBondContact O-CA 3.28Å; H1107-G1111 PolarHBondContact O-N 3.16Å; G1111-N1145 VanDerWaalsContact C-ND2 3.29Å; G1111-N1145 PolarHBondContact O-ND2 2.85Å; G1111-N1145 VanDerWaalsContact O-ND2 3.16Å | ||
| 1112 | P | 91.2 | Very high | 88.9 | Confident | 73.6 Ų | 73.6 | 42.8 Ų | 42.8 | 48% | 0.478 | 22% | 0.222 | S | C | . | . | trans | -77.9 | 146.8 | -177.3 | 33.2 | -35.1 | 0 | 0 | 0 | 112.2 | N1145 N1147 N1148 | P1112-N1145 WeakPolarHBondContact CA-ND2 3.33Å; P1112-N1145 VanDerWaalsContact N-ND2 3.2Å; P1112-N1147 HydrophobicContact CB-CB 3.77Å; P1112-N1148 VanDerWaalsContact CA-OD1 3.27Å; P1112-N1148 WeakPolarHBondContact CA-OD1 3.31Å | ||
| 1113 | I | 90.9 | Very high | 89 | Confident | 21.8 Ų | 21.8 | 42.8 Ų | 42.8 | 11% | 0.112 | 22% | 0.222 | C | C | . | . | trans | -105.2 | 132.7 | -179 | -62.7 | 176.6 | 0 | 0 | 0 | 109.2 | F1047 Y1103 I1110 D1115 I1116 L1142 N1148 | F1047-I1113 HydrophobicContact CD1-CD1 4.17Å; F1047-I1113 HydrophobicContact CE1-CD1 3.56Å; F1047-I1113 VanDerWaalsContact CE1-CD1 3.49Å; F1047-I1113 HydrophobicContact CE1-CG1 4.15Å; F1047-I1113 HydrophobicContact CE2-CD1 4.45Å; F1047-I1113 HydrophobicContact CZ-CD1 3.55Å; F1047-I1113 VanDerWaalsContact CZ-CD1 3.44Å; F1047-I1113 HydrophobicContact CZ-CG1 4.4Å; Y1103-I1113 HydrophobicContact CD2-CD1 3.9Å; Y1103-I1113 HydrophobicContact CE2-CD1 3.71Å; Y1103-I1113 HydrophobicContact CE2-CG1 4.1Å; I1110-I1113 HydrophobicContact CG2-CD1 3.74Å; I1113-D1115 HydrophobicContact CG2-CB 4.38Å; I1113-I1116 HydrophobicContact CB-CD1 4.25Å; I1113-I1116 HydrophobicContact CB-CG1 4.31Å; I1113-I1116 HydrophobicContact CG2-CD1 4.42Å; I1113-I1116 HydrophobicContact CG2-CG1 4.42Å; I1113-I1116 WeakPolarHBondContact O-CG1 3.27Å; I1113-L1142 HydrophobicContact CD1-CD1 3.86Å; I1113-L1142 HydrophobicContact CD1-CD2 3.36Å; I1113-L1142 HydrophobicContact CD1-CG 4.18Å; I1113-L1142 HydrophobicContact CG1-CD2 3.73Å; I1113-N1148 PolarHBondContact N-OD1 3.05Å | ||
| 1114 | T | 87.4 | Confident | 88.8 | Confident | 114.4 Ų | 114.4 | 43.1 Ų | 43.1 | 70% | 0.702 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -32.3 | 178.3 | 48.6 | 0 | 0 | 0 | 0 | 112.8 | I1116 P1117 | T1114-I1116 VanDerWaalsContact C-N 3.27Å; T1114-I1116 PolarHBondContact O-N 3.14Å; T1114-I1116 VanDerWaalsContact O-N 3.14Å; T1114-P1117 VanDerWaalsContact O-CD 3.27Å; T1114-P1117 WeakPolarHBondContact O-CD 3.34Å |
| 1115 | D | 88.5 | Confident | 88.6 | Confident | 60.6 Ų | 60.6 | 42.2 Ų | 42.2 | 32% | 0.324 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 19.4 | -168.4 | -52.9 | -41.5 | 0 | 0 | 0 | 113.9 | F1051 I1113 P1117 L1118 L1119 | F1051-D1115 HydrophobicContact CE1-CB 3.8Å; F1051-D1115 VanDerWaalsContact CE1-OD2 3.29Å; F1051-D1115 WeakPolarHBondContact CE1-OD2 3.3Å; F1051-D1115 HydrophobicContact CZ-CB 3.72Å; I1113-D1115 HydrophobicContact CG2-CB 4.38Å; D1115-P1117 VanDerWaalsContact C-CD 3.46Å; D1115-P1117 VanDerWaalsContact C-N 3.33Å; D1115-L1118 HydrophobicContact CB-CB 4.44Å; D1115-L1118 WeakPolarHBondContact O-CB 3.4Å; D1115-L1118 PolarHBondContact O-N 2.97Å; D1115-L1118 VanDerWaalsContact O-N 3.14Å; D1115-L1119 PolarHBondContact O-N 3.14Å |
| 1116 | I | 92.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55.7 | -41.2 | 173.7 | -61.1 | -68.8 | 0 | 0 | 0 | 112.1 | I1113 T1114 L1118 L1119 T1120 L1142 M1143 N1148 F1152 | I1113-I1116 HydrophobicContact CB-CD1 4.25Å; I1113-I1116 HydrophobicContact CB-CG1 4.31Å; I1113-I1116 HydrophobicContact CG2-CD1 4.42Å; I1113-I1116 HydrophobicContact CG2-CG1 4.42Å; I1113-I1116 WeakPolarHBondContact O-CG1 3.27Å; T1114-I1116 VanDerWaalsContact C-N 3.27Å; T1114-I1116 PolarHBondContact O-N 3.14Å; T1114-I1116 VanDerWaalsContact O-N 3.14Å; I1116-L1118 VanDerWaalsContact C-N 3.3Å; I1116-L1118 PolarHBondContact O-N 3.06Å; I1116-L1119 PolarHBondContact O-N 2.95Å; I1116-L1119 VanDerWaalsContact O-N 3.17Å; I1116-T1120 WeakPolarHBondContact O-CB 3.46Å; I1116-T1120 PolarHBondContact O-N 3.23Å; I1116-T1120 PolarHBondContact O-OG1 3.17Å; I1116-T1120 VanDerWaalsContact O-OG1 3.05Å; I1116-L1142 HydrophobicContact CD1-CB 4.16Å; I1116-L1142 HydrophobicContact CD1-CD1 3.52Å; I1116-L1142 VanDerWaalsContact CD1-CD1 3.49Å; I1116-L1142 HydrophobicContact CD1-CG 4.43Å; I1116-M1143 HydrophobicContact CD1-CE 4.4Å; I1116-N1148 HydrophobicContact CD1-CB 4.04Å; I1116-N1148 HydrophobicContact CG1-CB 4.21Å; I1116-F1152 VanDerWaalsContact CG2-CA 3.48Å; I1116-F1152 HydrophobicContact CG2-CB 3.71Å; I1116-F1152 HydrophobicContact CG2-CD2 4.09Å; I1116-F1152 HydrophobicContact CG2-CG 4.43Å |
| 1117 | P | 90.6 | Very high | 88.3 | Confident | 23 Ų | 23 | 42.3 Ų | 42.3 | 15% | 0.149 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.4 | -37 | 176.1 | -22.6 | 34.6 | 0 | 0 | 0 | 113.2 | T1114 D1115 T1120 Y1121 A1155 | T1114-P1117 VanDerWaalsContact O-CD 3.27Å; T1114-P1117 WeakPolarHBondContact O-CD 3.34Å; D1115-P1117 VanDerWaalsContact C-CD 3.46Å; D1115-P1117 VanDerWaalsContact C-N 3.33Å; P1117-T1120 WeakPolarHBondContact O-CB 3.22Å; P1117-T1120 PolarHBondContact O-N 3.1Å; P1117-Y1121 WeakPolarHBondContact O-CB 3.26Å; P1117-Y1121 PolarHBondContact O-N 3.03Å; P1117-A1155 HydrophobicContact CB-CB 3.85Å; P1117-A1155 HydrophobicContact CG-CB 4.13Å |
| 1118 | L | 90.3 | Very high | 88.1 | Confident | 49.2 Ų | 49.2 | 41.1 Ų | 41.1 | 26% | 0.258 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.4 | -43.3 | 175.7 | 177.7 | 59.8 | 0 | 0 | 0 | 111.4 | F1051 L1055 D1115 I1116 T1120 Y1121 L1122 P1264 | F1051-L1118 HydrophobicContact CZ-CD2 4.15Å; L1055-L1118 HydrophobicContact CD1-CD2 4.35Å; L1055-L1118 HydrophobicContact CD2-CD2 4.05Å; D1115-L1118 HydrophobicContact CB-CB 4.44Å; D1115-L1118 WeakPolarHBondContact O-CB 3.4Å; D1115-L1118 PolarHBondContact O-N 2.97Å; D1115-L1118 VanDerWaalsContact O-N 3.14Å; I1116-L1118 VanDerWaalsContact C-N 3.3Å; I1116-L1118 PolarHBondContact O-N 3.06Å; L1118-T1120 VanDerWaalsContact C-N 3.3Å; L1118-T1120 PolarHBondContact O-N 3.06Å; L1118-Y1121 HydrophobicContact CD1-CD1 4.39Å; L1118-Y1121 WeakPolarHBondContact O-CB 3.41Å; L1118-Y1121 PolarHBondContact O-N 3.19Å; L1118-Y1121 VanDerWaalsContact O-N 3.12Å; L1118-L1122 HydrophobicContact CD1-CD1 4.22Å; L1118-L1122 HydrophobicContact CD1-CG 4.2Å; L1118-L1122 HydrophobicContact CG-CD1 4.11Å; L1118-L1122 HydrophobicContact CG-CG 4.47Å; L1118-L1122 WeakPolarHBondContact O-CB 3.41Å; L1118-L1122 VanDerWaalsContact O-CG 3.28Å; L1118-L1122 WeakPolarHBondContact O-CG 3.36Å; L1118-L1122 PolarHBondContact O-N 3.2Å; L1118-P1264 HydrophobicContact CD1-CB 4.22Å |
| 1119 | L | 92.3 | Very high | 88 | Confident | 1.6 Ų | 1.6 | 34.3 Ų | 34.3 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.2 | -39.3 | 175 | -71.4 | 173.9 | 0 | 0 | 0 | 112.1 | F1051 D1115 I1116 Y1121 L1122 L1123 L1135 L1138 L1139 L1142 | F1051-L1119 HydrophobicContact CE2-CD2 3.89Å; F1051-L1119 HydrophobicContact CE2-CG 4.37Å; D1115-L1119 PolarHBondContact O-N 3.14Å; I1116-L1119 PolarHBondContact O-N 2.95Å; I1116-L1119 VanDerWaalsContact O-N 3.17Å; L1119-Y1121 VanDerWaalsContact C-N 3.33Å; L1119-Y1121 PolarHBondContact O-N 2.91Å; L1119-L1122 PolarHBondContact O-N 2.97Å; L1119-L1123 WeakPolarHBondContact O-CB 3.34Å; L1119-L1123 PolarHBondContact O-N 3.3Å; L1119-L1135 HydrophobicContact CD2-CD2 3.98Å; L1119-L1138 HydrophobicContact CD1-CD2 4.1Å; L1119-L1138 HydrophobicContact CD2-CD2 4.2Å; L1119-L1139 HydrophobicContact CB-CD2 4.39Å; L1119-L1142 HydrophobicContact CD1-CD1 3.57Å |
| 1120 | T | 91.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.7 | -42.2 | 175.2 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | I1116 P1117 L1118 L1123 D1124 F1152 A1155 G1157 V1160 C1262 | I1116-T1120 WeakPolarHBondContact O-CB 3.46Å; I1116-T1120 PolarHBondContact O-N 3.23Å; I1116-T1120 PolarHBondContact O-OG1 3.17Å; I1116-T1120 VanDerWaalsContact O-OG1 3.05Å; P1117-T1120 WeakPolarHBondContact O-CB 3.22Å; P1117-T1120 PolarHBondContact O-N 3.1Å; L1118-T1120 VanDerWaalsContact C-N 3.3Å; L1118-T1120 PolarHBondContact O-N 3.06Å; T1120-L1123 PolarHBondContact O-N 3.06Å; T1120-D1124 PolarHBondContact O-N 3.19Å; T1120-D1124 VanDerWaalsContact O-N 3.09Å; T1120-F1152 HydrophobicContact CG2-CD2 4.41Å; T1120-F1152 HydrophobicContact CG2-CE2 4.16Å; T1120-F1152 VanDerWaalsContact OG1-CD2 3.28Å; T1120-F1152 WeakPolarHBondContact OG1-CD2 3.33Å; T1120-F1152 WeakPolarHBondContact OG1-CE2 3.41Å; T1120-A1155 HydrophobicContact CG2-CB 4.33Å; T1120-G1157 VanDerWaalsContact CG2-CA 3.43Å; T1120-V1160 HydrophobicContact CG2-CG2 4.28Å; T1120-C1262 HydrophobicContact CG2-CB 4.37Å |
| 1121 | Y | 88.8 | Confident | 87.8 | Confident | 58.8 Ų | 58.8 | 27.7 Ų | 27.7 | 23% | 0.231 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.3 | -46.7 | 173.2 | 175.2 | -102.6 | 0 | 0 | 0 | 111.8 | P1117 L1118 L1119 L1123 D1124 R1125 C1262 P1264 A1269 | P1117-Y1121 WeakPolarHBondContact O-CB 3.26Å; P1117-Y1121 PolarHBondContact O-N 3.03Å; L1118-Y1121 HydrophobicContact CD1-CD1 4.39Å; L1118-Y1121 WeakPolarHBondContact O-CB 3.41Å; L1118-Y1121 PolarHBondContact O-N 3.19Å; L1118-Y1121 VanDerWaalsContact O-N 3.12Å; L1119-Y1121 VanDerWaalsContact C-N 3.33Å; L1119-Y1121 PolarHBondContact O-N 2.91Å; Y1121-L1123 VanDerWaalsContact C-N 3.33Å; Y1121-L1123 PolarHBondContact O-N 3.18Å; Y1121-D1124 CarbonylContact O-C 3.52Å; Y1121-D1124 PolarHBondContact O-N 3.08Å; Y1121-D1124 VanDerWaalsContact O-N 3.11Å; Y1121-R1125 HydrophobicContact CD1-CG 4.36Å; Y1121-R1125 HydrophobicContact CD2-CG 4.1Å; Y1121-R1125 HydrophobicContact CE1-CG 4.05Å; Y1121-R1125 HydrophobicContact CE2-CG 3.73Å; Y1121-R1125 VanDerWaalsContact CE2-CG 3.49Å; Y1121-R1125 HydrophobicContact CG-CG 4.4Å; Y1121-R1125 WeakPolarHBondContact O-CB 3.42Å; Y1121-R1125 VanDerWaalsContact O-CG 3.32Å; Y1121-R1125 WeakPolarHBondContact O-CG 3.36Å; Y1121-R1125 PolarHBondContact O-N 2.95Å; Y1121-C1262 WeakPolarHBondContact CB-O 3.41Å; Y1121-C1262 HydrophobicContact CD2-CB 4.27Å; Y1121-C1262 VanDerWaalsContact CD2-O 3.32Å; Y1121-C1262 WeakPolarHBondContact CD2-O 3.28Å; Y1121-P1264 HydrophobicContact CD1-CG 3.81Å; Y1121-P1264 HydrophobicContact CD2-CG 4.36Å; Y1121-P1264 HydrophobicContact CE1-CG 3.91Å; Y1121-P1264 HydrophobicContact CE2-CG 4.19Å; Y1121-P1264 HydrophobicContact CG-CG 4.14Å; Y1121-A1269 HydrophobicContact CE2-CB 4.18Å |
| 1122 | L | 90 | Very high | 87.8 | Confident | 7.8 Ų | 7.8 | 27.4 Ų | 27.4 | 4% | 0.041 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.2 | -37.5 | 178.8 | -69.3 | 172.1 | 0 | 0 | 0 | 111.9 | Y1054 L1055 V1058 Y1064 L1118 L1119 D1124 R1125 T1126 L1135 | Y1054-L1122 HydrophobicContact CE1-CD1 3.73Å; L1055-L1122 HydrophobicContact CD2-CD1 4.18Å; V1058-L1122 HydrophobicContact CG1-CD2 4.13Å; Y1064-L1122 HydrophobicContact CE1-CD2 4.29Å; L1118-L1122 HydrophobicContact CD1-CD1 4.22Å; L1118-L1122 HydrophobicContact CD1-CG 4.2Å; L1118-L1122 HydrophobicContact CG-CD1 4.11Å; L1118-L1122 HydrophobicContact CG-CG 4.47Å; L1118-L1122 WeakPolarHBondContact O-CB 3.41Å; L1118-L1122 VanDerWaalsContact O-CG 3.28Å; L1118-L1122 WeakPolarHBondContact O-CG 3.36Å; L1118-L1122 PolarHBondContact O-N 3.2Å; L1119-L1122 PolarHBondContact O-N 2.97Å; L1122-D1124 VanDerWaalsContact C-N 3.32Å; L1122-D1124 PolarHBondContact O-N 3.16Å; L1122-R1125 CarbonylContact O-C 3.49Å; L1122-R1125 PolarHBondContact O-N 3.26Å; L1122-T1126 WeakPolarHBondContact O-CB 3.36Å; L1122-T1126 WeakPolarHBondContact O-CG2 3.26Å; L1122-T1126 PolarHBondContact O-N 3.12Å; L1122-L1135 HydrophobicContact CB-CD1 4.45Å |
| 1123 | L | 91 | Very high | 87.7 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.8 | -41.4 | 172.2 | 179.3 | 66.3 | 0 | 0 | 0 | 111.8 | L1119 T1120 Y1121 R1125 T1126 R1132 L1135 L1136 L1139 V1160 L1161 L1164 R1331 | L1119-L1123 WeakPolarHBondContact O-CB 3.34Å; L1119-L1123 PolarHBondContact O-N 3.3Å; T1120-L1123 PolarHBondContact O-N 3.06Å; Y1121-L1123 VanDerWaalsContact C-N 3.33Å; Y1121-L1123 PolarHBondContact O-N 3.18Å; L1123-R1125 VanDerWaalsContact C-N 3.3Å; L1123-R1125 PolarHBondContact O-N 2.82Å; L1123-T1126 WeakPolarHBondContact O-CG2 3.39Å; L1123-T1126 PolarHBondContact O-N 3.15Å; L1123-T1126 PolarHBondContact O-OG1 3.47Å; L1123-R1132 HydrophobicContact CD1-CB 4.49Å; L1123-R1132 HydrophobicContact CD1-CG 3.93Å; L1123-L1135 HydrophobicContact CB-CB 4.46Å; L1123-L1135 HydrophobicContact CB-CD1 4.24Å; L1123-L1135 HydrophobicContact CD1-CB 3.95Å; L1123-L1135 HydrophobicContact CD1-CD1 4.39Å; L1123-L1136 HydrophobicContact CD1-CD2 4.17Å; L1123-L1136 HydrophobicContact CD1-CG 4.02Å; L1123-L1136 HydrophobicContact CD2-CD2 3.78Å; L1123-L1136 HydrophobicContact CD2-CG 4.48Å; L1123-L1139 HydrophobicContact CB-CD1 4.46Å; L1123-L1139 HydrophobicContact CD2-CD1 3.66Å; L1123-V1160 HydrophobicContact CB-CG1 4.49Å; L1123-V1160 HydrophobicContact CD2-CG1 3.88Å; L1123-V1160 HydrophobicContact CG-CG1 4Å; L1123-L1161 HydrophobicContact CD2-CD2 4.46Å; L1123-L1164 HydrophobicContact CD1-CD1 4.1Å; L1123-L1164 HydrophobicContact CD2-CD1 4.19Å; L1123-L1164 HydrophobicContact CG-CD1 4.18Å; L1123-R1331 PolarHBondContact O-NH2 3.26Å |
| 1124 | D | 87.7 | Confident | 87.7 | Confident | 4.6 Ų | 4.6 | 23 Ų | 23 | 3% | 0.025 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -71.7 | -23.4 | 177.2 | -167.6 | 34.5 | 0 | 0 | 0 | 112.9 | T1120 Y1121 L1122 R1159 V1160 R1261 R1331 | T1120-D1124 PolarHBondContact O-N 3.19Å; T1120-D1124 VanDerWaalsContact O-N 3.09Å; Y1121-D1124 CarbonylContact O-C 3.52Å; Y1121-D1124 PolarHBondContact O-N 3.08Å; Y1121-D1124 VanDerWaalsContact O-N 3.11Å; L1122-D1124 VanDerWaalsContact C-N 3.32Å; L1122-D1124 PolarHBondContact O-N 3.16Å; D1124-R1159 IonicContact OD2-CZ 3.57Å; D1124-R1159 IonicContact OD2-NH1 3.89Å; D1124-R1159 IonicContact OD2-NH2 3.35Å; D1124-R1159 PolarHBondContact OD2-NH2 3.28Å; D1124-V1160 HydrophobicContact CB-CG1 4.24Å; D1124-V1160 HydrophobicContact CB-CG2 4.06Å; D1124-R1261 VanDerWaalsContact CG-NE 3.28Å; D1124-R1261 IonicContact OD1-CZ 3.49Å; D1124-R1261 VanDerWaalsContact OD1-CZ 3.31Å; D1124-R1261 IonicContact OD1-NE 2.98Å; D1124-R1261 PolarHBondContact OD1-NE 3.21Å; D1124-R1261 VanDerWaalsContact OD1-NE 3.16Å; D1124-R1261 IonicContact OD1-NH2 3.47Å; D1124-R1261 PolarHBondContact OD1-NH2 3.11Å; D1124-R1261 IonicContact OD2-CZ 3.34Å; D1124-R1261 IonicContact OD2-NE 3.32Å; D1124-R1261 PolarHBondContact OD2-NE 3.12Å; D1124-R1261 IonicContact OD2-NH2 3.31Å; D1124-R1331 PolarHBondContact O-NH1 3.21Å; D1124-R1331 PolarHBondContact O-NH2 3.07Å; D1124-R1331 VanDerWaalsContact O-NH2 3.13Å; D1124-R1331 IonicContact OD1-NH1 2.78Å; D1124-R1331 IonicContact OD1-NH2 3.67Å |
| 1125 | R | 83.7 | Confident | 88 | Confident | 54.4 Ų | 54.4 | 17.6 Ų | 17.6 | 21% | 0.205 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -102.3 | -13.6 | -178.3 | -60 | -55.5 | 175.4 | 160.7 | 1 | 115.1 | Y1121 L1122 L1123 T1127 | Y1121-R1125 HydrophobicContact CD1-CG 4.36Å; Y1121-R1125 HydrophobicContact CD2-CG 4.1Å; Y1121-R1125 HydrophobicContact CE1-CG 4.05Å; Y1121-R1125 HydrophobicContact CE2-CG 3.73Å; Y1121-R1125 VanDerWaalsContact CE2-CG 3.49Å; Y1121-R1125 HydrophobicContact CG-CG 4.4Å; Y1121-R1125 WeakPolarHBondContact O-CB 3.42Å; Y1121-R1125 VanDerWaalsContact O-CG 3.32Å; Y1121-R1125 WeakPolarHBondContact O-CG 3.36Å; Y1121-R1125 PolarHBondContact O-N 2.95Å; L1122-R1125 CarbonylContact O-C 3.49Å; L1122-R1125 PolarHBondContact O-N 3.26Å; L1123-R1125 VanDerWaalsContact C-N 3.3Å; L1123-R1125 PolarHBondContact O-N 2.82Å; R1125-T1127 PolarHBondContact O-N 3.31Å |
| 1126 | T | 84.9 | Confident | 88.2 | Confident | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.006 | 7% | 0.074 | C | C | . | . | trans | -60.5 | 141.8 | -178.8 | 175.2 | 0 | 0 | 0 | 0 | 112.3 | L1122 L1123 F1128 E1131 R1132 L1135 R1331 W1332 | L1122-T1126 WeakPolarHBondContact O-CB 3.36Å; L1122-T1126 WeakPolarHBondContact O-CG2 3.26Å; L1122-T1126 PolarHBondContact O-N 3.12Å; L1123-T1126 WeakPolarHBondContact O-CG2 3.39Å; L1123-T1126 PolarHBondContact O-N 3.15Å; L1123-T1126 PolarHBondContact O-OG1 3.47Å; T1126-F1128 PolarHBondContact OG1-N 3.33Å; T1126-E1131 WeakPolarHBondContact CB-OE2 3.4Å; T1126-E1131 HydrophobicContact CG2-CG 4.04Å; T1126-E1131 PolarHBondContact OG1-OE2 3.1Å; T1126-R1132 HydrophobicContact CG2-CB 3.85Å; T1126-R1132 HydrophobicContact CG2-CG 4.39Å; T1126-L1135 HydrophobicContact CG2-CD1 4.04Å; T1126-R1331 WeakPolarHBondContact O-CD 3.46Å; T1126-R1331 PolarHBondContact O-NE 2.95Å; T1126-W1332 HydrophobicContact CG2-CH2 4.31Å; T1126-W1332 HydrophobicContact CG2-CZ2 4.32Å | ||
| 1127 | T | 78.6 | Confident | 88.2 | Confident | 58 Ų | 58 | 16.4 Ų | 16.4 | 36% | 0.356 | 8% | 0.083 | S | C | . | . | trans | -109.3 | -10.4 | 178.5 | 54.9 | 0 | 0 | 0 | 0 | 112.7 | R1125 | R1125-T1127 PolarHBondContact O-N 3.31Š| ||
| 1128 | F | 81.9 | Confident | 88.4 | Confident | 24 Ų | 24 | 15.4 Ų | 15.4 | 11% | 0.105 | 8% | 0.076 | C | C | . | . | trans | -104.7 | 127 | -177.5 | -62.5 | -77.2 | 0 | 0 | 0 | 110.3 | F1063 L1089 T1126 S1130 E1131 R1132 | F1063-F1128 HydrophobicContact CE2-CZ 4.45Å; L1089-F1128 HydrophobicContact CD1-CB 3.76Å; L1089-F1128 HydrophobicContact CD1-CD1 4.39Å; L1089-F1128 HydrophobicContact CD1-CD2 3.98Å; L1089-F1128 HydrophobicContact CD1-CG 3.8Å; L1089-F1128 HydrophobicContact CD2-CB 4.18Å; L1089-F1128 HydrophobicContact CD2-CD1 3.69Å; L1089-F1128 HydrophobicContact CD2-CE1 4.22Å; L1089-F1128 HydrophobicContact CD2-CG 3.92Å; L1089-F1128 HydrophobicContact CG-CB 4.49Å; L1089-F1128 HydrophobicContact CG-CG 4.36Å; T1126-F1128 PolarHBondContact OG1-N 3.33Å; F1128-S1130 VanDerWaalsContact C-N 3.3Å; F1128-S1130 PolarHBondContact O-N 3.16Å; F1128-E1131 HydrophobicContact CB-CB 4.18Å; F1128-E1131 PolarHBondContact O-N 2.94Å; F1128-R1132 PolarHBondContact O-N 3.1Å; F1128-R1132 VanDerWaalsContact O-N 3.1Å | ||
| 1129 | A | 82.1 | Confident | 88.6 | Confident | 7 Ų | 7 | 13.1 Ų | 13.1 | 6% | 0.058 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.2 | -37.9 | -177 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1131 R1132 D1133 W1332 M1383 | A1129-E1131 PolarHBondContact O-N 2.83Å; A1129-R1132 WeakPolarHBondContact O-CB 3.33Å; A1129-R1132 PolarHBondContact O-N 3.14Å; A1129-D1133 WeakPolarHBondContact O-CB 3.31Å; A1129-D1133 VanDerWaalsContact O-CG 3.25Å; A1129-D1133 PolarHBondContact O-N 2.95Å; A1129-D1133 VanDerWaalsContact O-OD1 3.12Å; A1129-W1332 HydrophobicContact CB-CZ3 3.98Å; A1129-M1383 HydrophobicContact CB-CB 3.84Å; A1129-M1383 HydrophobicContact CB-CG 3.88Å; A1129-M1383 HydrophobicContact CB-SD 4.49Å |
| 1130 | S | 83.3 | Confident | 88.6 | Confident | 5.8 Ų | 5.8 | 13.5 Ų | 13.5 | 4% | 0.041 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -65.1 | -38.7 | 177.4 | 39.3 | 0 | 0 | 0 | 0 | 113.3 | F1128 D1133 C1134 Y1379 G1382 F1384 | F1128-S1130 VanDerWaalsContact C-N 3.3Å; F1128-S1130 PolarHBondContact O-N 3.16Å; S1130-D1133 PolarHBondContact O-N 3.21Å; S1130-C1134 WeakPolarHBondContact O-CB 3.4Å; S1130-C1134 PolarHBondContact O-N 3.11Å; S1130-C1134 VanDerWaalsContact O-N 3.12Å; S1130-C1134 PolarHBondContact O-SG 3.12Å; S1130-C1134 VanDerWaalsContact O-SG 3.35Å; S1130-Y1379 VanDerWaalsContact CB-O 3.29Å; S1130-Y1379 WeakPolarHBondContact CB-O 3.4Å; S1130-Y1379 PolarHBondContact OG-O 3.42Å; S1130-Y1379 VanDerWaalsContact OG-O 3.13Å; S1130-G1382 PolarHBondContact OG-O 3.06Å; S1130-F1384 VanDerWaalsContact CA-CE2 3.46Å |
| 1131 | E | 87.4 | Confident | 88.7 | Confident | 2.6 Ų | 2.6 | 15.6 Ų | 15.6 | 1% | 0.012 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -69.7 | -43 | 175.8 | -176.9 | 176.2 | -147.1 | 0 | 0 | 111.3 | Y1054 Y1064 L1089 R1092 L1096 T1126 F1128 A1129 D1133 C1134 L1135 | Y1054-E1131 VanDerWaalsContact CE2-OE1 3.26Å; Y1054-E1131 WeakPolarHBondContact CE2-OE1 3.33Å; Y1054-E1131 PolarHBondContact OH-OE1 3.06Å; Y1064-E1131 PolarHBondContact OH-OE2 2.96Å; L1089-E1131 HydrophobicContact CD1-CB 4.11Å; R1092-E1131 WeakPolarHBondContact CD-OE1 3.48Å; R1092-E1131 IonicContact CZ-OE1 3.06Å; R1092-E1131 IonicContact CZ-OE2 3.12Å; R1092-E1131 IonicContact NH1-OE1 3.07Å; R1092-E1131 PolarHBondContact NH1-OE1 3.28Å; R1092-E1131 IonicContact NH1-OE2 3.5Å; R1092-E1131 PolarHBondContact NH1-OE2 2.89Å; L1096-E1131 HydrophobicContact CD1-CG 4.01Å; T1126-E1131 WeakPolarHBondContact CB-OE2 3.4Å; T1126-E1131 HydrophobicContact CG2-CG 4.04Å; T1126-E1131 PolarHBondContact OG1-OE2 3.1Å; F1128-E1131 HydrophobicContact CB-CB 4.18Å; F1128-E1131 PolarHBondContact O-N 2.94Å; A1129-E1131 PolarHBondContact O-N 2.83Å; E1131-D1133 VanDerWaalsContact C-N 3.28Å; E1131-D1133 PolarHBondContact O-N 3.14Å; E1131-C1134 PolarHBondContact O-N 3.18Å; E1131-L1135 HydrophobicContact CG-CD1 4.13Å; E1131-L1135 HydrophobicContact CG-CG 4.43Å; E1131-L1135 WeakPolarHBondContact O-CB 3.44Å; E1131-L1135 WeakPolarHBondContact O-CG 3.34Å; E1131-L1135 PolarHBondContact O-N 3.24Å |
| 1132 | R | 89.6 | Confident | 89 | Confident | 6.6 Ų | 6.6 | 12.8 Ų | 12.8 | 3% | 0.025 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -52.3 | -49.6 | 172.5 | 176.3 | -160.2 | 64.5 | -156.8 | 2.9 | 111 | L1123 T1126 F1128 A1129 C1134 L1135 L1136 L1164 W1332 M1383 | L1123-R1132 HydrophobicContact CD1-CB 4.49Å; L1123-R1132 HydrophobicContact CD1-CG 3.93Å; T1126-R1132 HydrophobicContact CG2-CB 3.85Å; T1126-R1132 HydrophobicContact CG2-CG 4.39Å; F1128-R1132 PolarHBondContact O-N 3.1Å; F1128-R1132 VanDerWaalsContact O-N 3.1Å; A1129-R1132 WeakPolarHBondContact O-CB 3.33Å; A1129-R1132 PolarHBondContact O-N 3.14Å; R1132-C1134 PolarHBondContact O-N 3.18Å; R1132-L1135 WeakPolarHBondContact O-CB 3.45Å; R1132-L1135 PolarHBondContact O-N 3.3Å; R1132-L1135 VanDerWaalsContact O-N 3.15Å; R1132-L1136 HydrophobicContact CG-CD1 4.19Å; R1132-L1136 WeakPolarHBondContact O-CG 3.32Å; R1132-L1136 PolarHBondContact O-N 3.35Å; R1132-L1164 HydrophobicContact CG-CD1 4.49Å; R1132-W1332 HydrophobicContact CB-CH2 3.72Å; R1132-W1332 HydrophobicContact CB-CZ2 4Å; R1132-W1332 VanDerWaalsContact CD-CZ2 3.43Å; R1132-W1332 HydrophobicContact CG-CH2 4.16Å; R1132-W1332 HydrophobicContact CG-CZ2 3.98Å; R1132-M1383 VanDerWaalsContact NH2-CG 3.3Å; R1132-M1383 PolarHBondContact NH2-SD 2.74Å |
| 1133 | D | 88.6 | Confident | 89.2 | Confident | 2 Ų | 2 | 12.7 Ų | 12.7 | 1% | 0.011 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -68.2 | -37.2 | -175.2 | -66.1 | -3.1 | 0 | 0 | 0 | 111.6 | A1129 S1130 E1131 L1135 L1136 L1137 G1382 M1383 F1384 S1385 | A1129-D1133 WeakPolarHBondContact O-CB 3.31Å; A1129-D1133 VanDerWaalsContact O-CG 3.25Å; A1129-D1133 PolarHBondContact O-N 2.95Å; A1129-D1133 VanDerWaalsContact O-OD1 3.12Å; S1130-D1133 PolarHBondContact O-N 3.21Å; E1131-D1133 VanDerWaalsContact C-N 3.28Å; E1131-D1133 PolarHBondContact O-N 3.14Å; D1133-L1135 VanDerWaalsContact C-N 3.35Å; D1133-L1136 PolarHBondContact O-N 3.05Å; D1133-L1137 WeakPolarHBondContact O-CB 3.37Å; D1133-L1137 PolarHBondContact O-N 3.09Å; D1133-G1382 VanDerWaalsContact OD2-C 3.27Å; D1133-G1382 VanDerWaalsContact OD2-CA 3.22Å; D1133-G1382 WeakPolarHBondContact OD2-CA 3.35Å; D1133-M1383 HydrophobicContact CB-CB 3.85Å; D1133-M1383 HydrophobicContact CB-CE 4.32Å; D1133-M1383 PolarHBondContact OD2-N 3.1Å; D1133-F1384 HydrophobicContact CB-CB 4.28Å; D1133-F1384 HydrophobicContact CB-CD2 3.91Å; D1133-F1384 HydrophobicContact CB-CE2 3.77Å; D1133-F1384 HydrophobicContact CB-CZ 4.49Å; D1133-F1384 WeakPolarHBondContact OD1-CD2 3.33Å; D1133-F1384 VanDerWaalsContact OD2-CB 3.32Å; D1133-F1384 WeakPolarHBondContact OD2-CB 3.46Å; D1133-F1384 WeakPolarHBondContact OD2-CD2 3.4Å; D1133-F1384 PolarHBondContact OD2-N 3.24Å; D1133-S1385 PolarHBondContact OD1-OG 3.2Å; D1133-S1385 PolarHBondContact OD2-N 2.89Å; D1133-S1385 PolarHBondContact OD2-OG 3.34Å |
| 1134 | C | 91.3 | Very high | 89.2 | Confident | 2.4 Ų | 2.4 | 16 Ų | 16 | 2% | 0.016 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -67.8 | -37.1 | 172.8 | -67.3 | 0 | 0 | 0 | 0 | 112.6 | L1096 S1130 E1131 R1132 L1137 L1138 | L1096-C1134 HydrophobicContact CB-CB 3.74Å; L1096-C1134 HydrophobicContact CD1-CB 3.94Å; L1096-C1134 HydrophobicContact CG-CB 4.49Å; S1130-C1134 WeakPolarHBondContact O-CB 3.4Å; S1130-C1134 PolarHBondContact O-N 3.11Å; S1130-C1134 VanDerWaalsContact O-N 3.12Å; S1130-C1134 PolarHBondContact O-SG 3.12Å; S1130-C1134 VanDerWaalsContact O-SG 3.35Å; E1131-C1134 PolarHBondContact O-N 3.18Å; R1132-C1134 PolarHBondContact O-N 3.18Å; C1134-L1137 PolarHBondContact O-N 3.27Å; C1134-L1138 WeakPolarHBondContact O-CB 3.4Å; C1134-L1138 PolarHBondContact O-N 3.09Å |
| 1135 | L | 93.6 | Very high | 89.4 | Confident | 0.8 Ų | 0.8 | 17.2 Ų | 17.2 | 0% | 0.004 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.5 | -42.9 | 173.5 | -77.3 | 168 | 0 | 0 | 0 | 111.3 | L1096 L1119 L1122 L1123 T1126 E1131 R1132 D1133 L1137 L1138 L1139 | L1096-L1135 HydrophobicContact CD1-CD2 3.93Å; L1096-L1135 HydrophobicContact CD1-CG 3.78Å; L1096-L1135 HydrophobicContact CD2-CD2 3.69Å; L1096-L1135 HydrophobicContact CD2-CG 4.43Å; L1096-L1135 HydrophobicContact CG-CD2 4.46Å; L1119-L1135 HydrophobicContact CD2-CD2 3.98Å; L1122-L1135 HydrophobicContact CB-CD1 4.45Å; L1123-L1135 HydrophobicContact CB-CB 4.46Å; L1123-L1135 HydrophobicContact CB-CD1 4.24Å; L1123-L1135 HydrophobicContact CD1-CB 3.95Å; L1123-L1135 HydrophobicContact CD1-CD1 4.39Å; T1126-L1135 HydrophobicContact CG2-CD1 4.04Å; E1131-L1135 HydrophobicContact CG-CD1 4.13Å; E1131-L1135 HydrophobicContact CG-CG 4.43Å; E1131-L1135 WeakPolarHBondContact O-CB 3.44Å; E1131-L1135 WeakPolarHBondContact O-CG 3.34Å; E1131-L1135 PolarHBondContact O-N 3.24Å; R1132-L1135 WeakPolarHBondContact O-CB 3.45Å; R1132-L1135 PolarHBondContact O-N 3.3Å; R1132-L1135 VanDerWaalsContact O-N 3.15Å; D1133-L1135 VanDerWaalsContact C-N 3.35Å; L1135-L1137 VanDerWaalsContact C-N 3.34Å; L1135-L1137 PolarHBondContact O-N 2.71Å; L1135-L1138 PolarHBondContact O-N 3.16Å; L1135-L1139 WeakPolarHBondContact O-CB 3.36Å; L1135-L1139 VanDerWaalsContact O-CG 3.26Å; L1135-L1139 WeakPolarHBondContact O-CG 3.35Å; L1135-L1139 PolarHBondContact O-N 3.02Å |
| 1136 | L | 93.4 | Very high | 89.7 | Confident | 0.8 Ų | 0.8 | 21 Ų | 21 | 0% | 0.004 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.9 | -40.2 | 175 | -72.6 | 172.9 | 0 | 0 | 0 | 112 | L1123 R1132 D1133 L1138 L1139 D1140 L1161 L1164 F1384 L1390 I1397 | L1123-L1136 HydrophobicContact CD1-CD2 4.17Å; L1123-L1136 HydrophobicContact CD1-CG 4.02Å; L1123-L1136 HydrophobicContact CD2-CD2 3.78Å; L1123-L1136 HydrophobicContact CD2-CG 4.48Å; R1132-L1136 HydrophobicContact CG-CD1 4.19Å; R1132-L1136 WeakPolarHBondContact O-CG 3.32Å; R1132-L1136 PolarHBondContact O-N 3.35Å; D1133-L1136 PolarHBondContact O-N 3.05Å; L1136-L1138 VanDerWaalsContact C-N 3.31Å; L1136-L1138 PolarHBondContact O-N 3.16Å; L1136-L1139 PolarHBondContact O-N 3.03Å; L1136-D1140 VanDerWaalsContact O-CB 3.28Å; L1136-D1140 WeakPolarHBondContact O-CB 3.26Å; L1136-D1140 PolarHBondContact O-N 3.05Å; L1136-L1161 HydrophobicContact CD2-CD2 3.48Å; L1136-L1161 VanDerWaalsContact CD2-CD2 3.45Å; L1136-L1164 HydrophobicContact CD1-CD1 4.44Å; L1136-L1164 HydrophobicContact CD2-CD1 4.36Å; L1136-F1384 HydrophobicContact CB-CE2 4.4Å; L1136-F1384 HydrophobicContact CD1-CE2 3.99Å; L1136-L1390 HydrophobicContact CD1-CD1 3.29Å; L1136-I1397 HydrophobicContact CB-CD1 4.41Å; L1136-I1397 HydrophobicContact CD2-CD1 4.09Å |
| 1137 | L | 91.3 | Very high | 90 | Very high | 34.8 Ų | 34.8 | 25.7 Ų | 25.7 | 18% | 0.182 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.8 | -45.1 | 174.3 | -178.7 | 63.7 | 0 | 0 | 0 | 111.5 | S1100 D1133 C1134 L1135 D1140 K1141 M1383 | S1100-L1137 WeakPolarHBondContact OG-CG 3.28Å; D1133-L1137 WeakPolarHBondContact O-CB 3.37Å; D1133-L1137 PolarHBondContact O-N 3.09Å; C1134-L1137 PolarHBondContact O-N 3.27Å; L1135-L1137 VanDerWaalsContact C-N 3.34Å; L1135-L1137 PolarHBondContact O-N 2.71Å; L1137-D1140 PolarHBondContact O-N 2.98Å; L1137-K1141 WeakPolarHBondContact O-CG 3.31Å; L1137-K1141 PolarHBondContact O-N 2.99Å; L1137-M1383 HydrophobicContact CB-CE 4.1Å; L1137-M1383 HydrophobicContact CD1-CE 4.33Å; L1137-M1383 HydrophobicContact CD2-CE 4.2Å; L1137-M1383 HydrophobicContact CD2-SD 4.24Å; L1137-M1383 HydrophobicContact CG-CE 4.31Å |
| 1138 | L | 94.8 | Very high | 90.8 | Very high | 0.2 Ų | 0.2 | 23 Ų | 23 | 0% | 0.001 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.1 | -52.9 | 175.7 | 176 | 59.7 | 0 | 0 | 0 | 110.7 | F1047 L1096 M1099 S1100 L1119 C1134 L1135 L1136 D1140 K1141 L1142 | F1047-L1138 HydrophobicContact CE2-CD1 4.41Å; L1096-L1138 HydrophobicContact CD2-CD2 3.75Å; M1099-L1138 HydrophobicContact CB-CD1 3.74Å; M1099-L1138 HydrophobicContact CB-CD2 4.32Å; M1099-L1138 HydrophobicContact CE-CD1 4.48Å; M1099-L1138 HydrophobicContact CE-CD2 3.79Å; M1099-L1138 HydrophobicContact SD-CD2 4.36Å; S1100-L1138 WeakPolarHBondContact OG-CA 3.32Å; S1100-L1138 WeakPolarHBondContact OG-CB 3.19Å; S1100-L1138 PolarHBondContact OG-N 3.3Å; S1100-L1138 VanDerWaalsContact OG-N 3.12Å; L1119-L1138 HydrophobicContact CD1-CD2 4.1Å; L1119-L1138 HydrophobicContact CD2-CD2 4.2Å; C1134-L1138 WeakPolarHBondContact O-CB 3.4Å; C1134-L1138 PolarHBondContact O-N 3.09Å; L1135-L1138 PolarHBondContact O-N 3.16Å; L1136-L1138 VanDerWaalsContact C-N 3.31Å; L1136-L1138 PolarHBondContact O-N 3.16Å; L1138-D1140 VanDerWaalsContact C-N 3.31Å; L1138-D1140 PolarHBondContact O-N 3.06Å; L1138-K1141 CarbonylContact O-C 3.49Å; L1138-K1141 WeakPolarHBondContact O-CA 3.33Å; L1138-K1141 PolarHBondContact O-N 3.25Å; L1138-K1141 VanDerWaalsContact O-N 3.08Å; L1138-L1142 HydrophobicContact CD1-CD1 4.17Å; L1138-L1142 HydrophobicContact CD1-CD2 3.9Å; L1138-L1142 HydrophobicContact CD1-CG 3.91Å; L1138-L1142 HydrophobicContact CD2-CD1 4.44Å; L1138-L1142 HydrophobicContact CG-CD1 3.95Å; L1138-L1142 HydrophobicContact CG-CD2 4.43Å; L1138-L1142 HydrophobicContact CG-CG 4.05Å; L1138-L1142 WeakPolarHBondContact O-CG 3.41Å; L1138-L1142 PolarHBondContact O-N 3.1Å |
| 1139 | L | 94.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.2 | -43.1 | -178.9 | -74.6 | 167.1 | 0 | 0 | 0 | 112 | L1119 L1123 L1135 L1136 K1141 L1142 M1143 F1152 | L1119-L1139 HydrophobicContact CB-CD2 4.39Å; L1123-L1139 HydrophobicContact CB-CD1 4.46Å; L1123-L1139 HydrophobicContact CD2-CD1 3.66Å; L1135-L1139 WeakPolarHBondContact O-CB 3.36Å; L1135-L1139 VanDerWaalsContact O-CG 3.26Å; L1135-L1139 WeakPolarHBondContact O-CG 3.35Å; L1135-L1139 PolarHBondContact O-N 3.02Å; L1136-L1139 PolarHBondContact O-N 3.03Å; L1139-K1141 VanDerWaalsContact C-N 3.26Å; L1139-K1141 PolarHBondContact O-N 3.02Å; L1139-L1142 HydrophobicContact CD2-CD1 4.48Å; L1139-L1142 PolarHBondContact O-N 2.91Å; L1139-L1142 VanDerWaalsContact O-N 3.11Å; L1139-M1143 HydrophobicContact CD2-CE 4.43Å; L1139-M1143 VanDerWaalsContact O-CG 3.29Å; L1139-M1143 WeakPolarHBondContact O-CG 3.38Å; L1139-M1143 PolarHBondContact O-N 3.05Å; L1139-F1152 HydrophobicContact CD1-CE2 4.01Å; L1139-F1152 HydrophobicContact CD2-CD2 3.99Å; L1139-F1152 HydrophobicContact CD2-CE2 3.95Å; L1139-F1152 HydrophobicContact CG-CE2 4.48Å |
| 1140 | D | 93.7 | Very high | 91.7 | Very high | 11.8 Ų | 11.8 | 25.2 Ų | 25.2 | 6% | 0.063 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -52.1 | -44.8 | 173.6 | 178.2 | 61.5 | 0 | 0 | 0 | 112 | L1136 L1137 L1138 M1143 K1393 I1397 R1400 | L1136-D1140 VanDerWaalsContact O-CB 3.28Å; L1136-D1140 WeakPolarHBondContact O-CB 3.26Å; L1136-D1140 PolarHBondContact O-N 3.05Å; L1137-D1140 PolarHBondContact O-N 2.98Å; L1138-D1140 VanDerWaalsContact C-N 3.31Å; L1138-D1140 PolarHBondContact O-N 3.06Å; D1140-M1143 PolarHBondContact O-N 3.35Å; D1140-K1393 VanDerWaalsContact CG-NZ 3.32Å; D1140-K1393 WeakPolarHBondContact OD1-CE 3.1Å; D1140-K1393 IonicContact OD1-NZ 2.66Å; D1140-K1393 PolarHBondContact OD1-NZ 3.33Å; D1140-K1393 IonicContact OD2-NZ 3.33Å; D1140-K1393 PolarHBondContact OD2-NZ 3.28Å; D1140-K1393 VanDerWaalsContact OD2-NZ 3.12Å; D1140-I1397 HydrophobicContact CB-CD1 4.13Å; D1140-I1397 HydrophobicContact CB-CG1 3.85Å; D1140-R1400 PolarHBondContact O-NH1 3.08Å; D1140-R1400 IonicContact OD1-CZ 3.49Å; D1140-R1400 VanDerWaalsContact OD1-CZ 3.27Å; D1140-R1400 IonicContact OD1-NE 3.4Å; D1140-R1400 PolarHBondContact OD1-NE 3.07Å; D1140-R1400 IonicContact OD1-NH1 3.28Å; D1140-R1400 PolarHBondContact OD1-NH1 3.22Å; D1140-R1400 IonicContact OD1-NH2 2.86Å; D1140-R1400 PolarHBondContact OD1-NH2 3.06Å; D1140-R1400 IonicContact OD2-CZ 3.28Å; D1140-R1400 IonicContact OD2-NH1 3.32Å; D1140-R1400 PolarHBondContact OD2-NH1 3.01Å; D1140-R1400 IonicContact OD2-NH2 3.1Å |
| 1141 | K | 93.1 | Very high | 92.1 | Very high | 43 Ų | 43 | 26.4 Ų | 26.4 | 19% | 0.187 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -73.9 | -35.5 | 177.3 | -56.5 | -52 | -176.1 | -178.2 | 0 | 112.5 | S1100 Y1103 H1104 L1137 L1138 L1139 M1143 L1144 | S1100-K1141 VanDerWaalsContact OG-CG 3.27Å; S1100-K1141 WeakPolarHBondContact OG-CG 3.41Å; Y1103-K1141 HydrophobicContact CD1-CB 4.47Å; Y1103-K1141 VanDerWaalsContact CD1-O 3.28Å; Y1103-K1141 WeakPolarHBondContact CD1-O 3.42Å; Y1103-K1141 VanDerWaalsContact CE1-O 3.31Å; Y1103-K1141 WeakPolarHBondContact CE1-O 3.31Å; H1104-K1141 HydrophobicContact CB-CB 4.38Å; H1104-K1141 HydrophobicContact CB-CD 3.91Å; H1104-K1141 HydrophobicContact CB-CG 4.05Å; H1104-K1141 VanDerWaalsContact CD2-CE 3.45Å; H1104-K1141 WeakPolarHBondContact CD2-CE 3.24Å; H1104-K1141 PolarHBondContact CD2-NZ 2.69Å; H1104-K1141 PolarHBondContact NE2-NZ 3.36Å; L1137-K1141 WeakPolarHBondContact O-CG 3.31Å; L1137-K1141 PolarHBondContact O-N 2.99Å; L1138-K1141 CarbonylContact O-C 3.49Å; L1138-K1141 WeakPolarHBondContact O-CA 3.33Å; L1138-K1141 PolarHBondContact O-N 3.25Å; L1138-K1141 VanDerWaalsContact O-N 3.08Å; L1139-K1141 VanDerWaalsContact C-N 3.26Å; L1139-K1141 PolarHBondContact O-N 3.02Å; K1141-M1143 VanDerWaalsContact C-N 3.25Å; K1141-M1143 PolarHBondContact O-N 3.09Å; K1141-L1144 VanDerWaalsContact O-CB 3.31Å; K1141-L1144 WeakPolarHBondContact O-CB 3.45Å; K1141-L1144 WeakPolarHBondContact O-CD1 3.3Å; K1141-L1144 VanDerWaalsContact O-CG 3.23Å; K1141-L1144 WeakPolarHBondContact O-CG 3.37Å; K1141-L1144 PolarHBondContact O-N 3.24Å; K1141-L1144 VanDerWaalsContact O-N 3.17Å |
| 1142 | L | 94.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.4 | -30.1 | 176.5 | -63.1 | -170.2 | 0 | 0 | 0 | 112.4 | F1047 Y1103 I1113 I1116 L1119 L1138 L1139 L1144 N1145 N1148 | F1047-L1142 HydrophobicContact CZ-CD2 4.32Å; Y1103-L1142 HydrophobicContact CD1-CD2 3.56Å; Y1103-L1142 VanDerWaalsContact CD1-CD2 3.47Å; Y1103-L1142 HydrophobicContact CD2-CD2 3.58Å; Y1103-L1142 HydrophobicContact CE1-CD2 3.81Å; Y1103-L1142 HydrophobicContact CE2-CD2 3.84Å; Y1103-L1142 HydrophobicContact CG-CD2 3.43Å; Y1103-L1142 VanDerWaalsContact CG-CD2 3.41Å; I1113-L1142 HydrophobicContact CD1-CD1 3.86Å; I1113-L1142 HydrophobicContact CD1-CD2 3.36Å; I1113-L1142 HydrophobicContact CD1-CG 4.18Å; I1113-L1142 HydrophobicContact CG1-CD2 3.73Å; I1116-L1142 HydrophobicContact CD1-CB 4.16Å; I1116-L1142 HydrophobicContact CD1-CD1 3.52Å; I1116-L1142 VanDerWaalsContact CD1-CD1 3.49Å; I1116-L1142 HydrophobicContact CD1-CG 4.43Å; L1119-L1142 HydrophobicContact CD1-CD1 3.57Å; L1138-L1142 HydrophobicContact CD1-CD1 4.17Å; L1138-L1142 HydrophobicContact CD1-CD2 3.9Å; L1138-L1142 HydrophobicContact CD1-CG 3.91Å; L1138-L1142 HydrophobicContact CD2-CD1 4.44Å; L1138-L1142 HydrophobicContact CG-CD1 3.95Å; L1138-L1142 HydrophobicContact CG-CD2 4.43Å; L1138-L1142 HydrophobicContact CG-CG 4.05Å; L1138-L1142 WeakPolarHBondContact O-CG 3.41Å; L1138-L1142 PolarHBondContact O-N 3.1Å; L1139-L1142 HydrophobicContact CD2-CD1 4.48Å; L1139-L1142 PolarHBondContact O-N 2.91Å; L1139-L1142 VanDerWaalsContact O-N 3.11Å; L1142-L1144 PolarHBondContact O-N 2.96Å; L1142-L1144 VanDerWaalsContact O-N 3.15Å; L1142-N1145 PolarHBondContact O-N 3.16Å; L1142-N1148 VanDerWaalsContact O-CB 3.3Å; L1142-N1148 WeakPolarHBondContact O-CB 3.38Å; L1142-N1148 PolarHBondContact O-ND2 3Å |
| 1143 | M | 94 | Very high | 92.5 | Very high | 5.6 Ų | 5.6 | 27.4 Ų | 27.4 | 3% | 0.028 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -1.1 | 177.9 | -65.1 | -49.9 | 96.6 | 0 | 0 | 114.1 | I1116 L1139 D1140 K1141 N1145 N1148 V1149 F1152 I1397 R1400 L1401 | I1116-M1143 HydrophobicContact CD1-CE 4.4Å; L1139-M1143 HydrophobicContact CD2-CE 4.43Å; L1139-M1143 VanDerWaalsContact O-CG 3.29Å; L1139-M1143 WeakPolarHBondContact O-CG 3.38Å; L1139-M1143 PolarHBondContact O-N 3.05Å; D1140-M1143 PolarHBondContact O-N 3.35Å; K1141-M1143 VanDerWaalsContact C-N 3.25Å; K1141-M1143 PolarHBondContact O-N 3.09Å; M1143-N1145 PolarHBondContact O-N 3.13Å; M1143-N1148 HydrophobicContact CE-CB 3.88Å; M1143-V1149 HydrophobicContact CB-CG2 4.12Å; M1143-V1149 HydrophobicContact CG-CG2 4.39Å; M1143-V1149 WeakPolarHBondContact O-CG2 3.42Å; M1143-V1149 HydrophobicContact SD-CB 4.25Å; M1143-V1149 HydrophobicContact SD-CG2 3.74Å; M1143-F1152 HydrophobicContact CE-CB 3.91Å; M1143-F1152 HydrophobicContact CE-CD2 4.47Å; M1143-F1152 HydrophobicContact CE-CG 4.24Å; M1143-F1152 HydrophobicContact SD-CB 3.91Å; M1143-F1152 HydrophobicContact SD-CD1 4.25Å; M1143-F1152 HydrophobicContact SD-CG 4.12Å; M1143-I1397 HydrophobicContact CG-CG2 4.21Å; M1143-R1400 HydrophobicContact CB-CG 4.45Å; M1143-L1401 HydrophobicContact CB-CD2 4.34Å; M1143-L1401 HydrophobicContact CG-CD2 3.64Å; M1143-L1401 HydrophobicContact SD-CD2 3.37Å; M1143-L1401 WeakPolarHBondContact SD-CD2 3.36Å |
| 1144 | L | 90.9 | Very high | 92.5 | Very high | 68.6 Ų | 68.6 | 32 Ų | 32 | 36% | 0.359 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -22.4 | 168 | -66.3 | 173.3 | 0 | 0 | 0 | 112.4 | K1141 L1142 | K1141-L1144 VanDerWaalsContact O-CB 3.31Å; K1141-L1144 WeakPolarHBondContact O-CB 3.45Å; K1141-L1144 WeakPolarHBondContact O-CD1 3.3Å; K1141-L1144 VanDerWaalsContact O-CG 3.23Å; K1141-L1144 WeakPolarHBondContact O-CG 3.37Å; K1141-L1144 PolarHBondContact O-N 3.24Å; K1141-L1144 VanDerWaalsContact O-N 3.17Å; L1142-L1144 PolarHBondContact O-N 2.96Å; L1142-L1144 VanDerWaalsContact O-N 3.15Å |
| 1145 | N | 92.2 | Very high | 92.4 | Very high | 29.8 Ų | 29.8 | 32.1 Ų | 32.1 | 16% | 0.159 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -102.3 | 126.2 | 176.5 | -171.1 | -34.3 | 0 | 0 | 0 | 111.4 | Y1103 G1111 P1112 L1142 M1143 N1147 N1148 V1149 | Y1103-N1145 WeakPolarHBondContact OH-CB 3.37Å; G1111-N1145 VanDerWaalsContact C-ND2 3.29Å; G1111-N1145 PolarHBondContact O-ND2 2.85Å; G1111-N1145 VanDerWaalsContact O-ND2 3.16Å; P1112-N1145 WeakPolarHBondContact CA-ND2 3.33Å; P1112-N1145 VanDerWaalsContact N-ND2 3.2Å; L1142-N1145 PolarHBondContact O-N 3.16Å; M1143-N1145 PolarHBondContact O-N 3.13Å; N1145-N1147 VanDerWaalsContact C-N 3.28Å; N1145-N1147 PolarHBondContact O-N 3.05Å; N1145-N1147 WeakPolarHBondContact OD1-CB 3.46Å; N1145-N1147 PolarHBondContact OD1-N 2.97Å; N1145-N1148 HydrophobicContact CB-CB 4.44Å; N1145-N1148 WeakPolarHBondContact O-CB 3.39Å; N1145-N1148 PolarHBondContact O-N 3.05Å; N1145-N1148 VanDerWaalsContact O-N 3.12Å; N1145-V1149 PolarHBondContact O-N 2.97Å |
| 1146 | K | 90.5 | Very high | 92.2 | Very high | 136 Ų | 136 | 33.8 Ų | 33.8 | 59% | 0.591 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -58.7 | -33.2 | -178.1 | -132.9 | 179.7 | -179.4 | 179.2 | 0 | 113.9 | N1148 V1149 M1150 | K1146-N1148 VanDerWaalsContact C-N 3.34Å; K1146-V1149 WeakPolarHBondContact O-CB 3.45Å; K1146-V1149 PolarHBondContact O-N 3.22Å; K1146-M1150 WeakPolarHBondContact O-CG 3.34Å; K1146-M1150 PolarHBondContact O-N 3.1Å; K1146-M1150 VanDerWaalsContact O-N 3.14Å |
| 1147 | N | 91.6 | Very high | 92.1 | Very high | 98.6 Ų | 98.6 | 33.8 Ų | 33.8 | 53% | 0.527 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -69.6 | -36.4 | 178.9 | -68.5 | -15.4 | 0 | 0 | 0 | 111.5 | P1112 N1145 V1149 M1150 S1151 | P1112-N1147 HydrophobicContact CB-CB 3.77Å; N1145-N1147 VanDerWaalsContact C-N 3.28Å; N1145-N1147 PolarHBondContact O-N 3.05Å; N1145-N1147 WeakPolarHBondContact OD1-CB 3.46Å; N1145-N1147 PolarHBondContact OD1-N 2.97Å; N1147-V1149 VanDerWaalsContact C-N 3.33Å; N1147-V1149 PolarHBondContact O-N 3.41Å; N1147-M1150 PolarHBondContact O-N 3.22Å; N1147-M1150 WeakPolarHBondContact OD1-CE 3.36Å; N1147-S1151 PolarHBondContact O-N 3.26Å; N1147-S1151 VanDerWaalsContact O-N 3.15Å |
| 1148 | N | 93.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.4 | -37.6 | 175.1 | -62.9 | -9.3 | 0 | 0 | 0 | 111.1 | Y1103 P1112 I1113 I1116 L1142 M1143 N1145 K1146 M1150 S1151 F1152 | Y1103-N1148 PolarHBondContact OH-ND2 2.95Å; P1112-N1148 VanDerWaalsContact CA-OD1 3.27Å; P1112-N1148 WeakPolarHBondContact CA-OD1 3.31Å; I1113-N1148 PolarHBondContact N-OD1 3.05Å; I1116-N1148 HydrophobicContact CD1-CB 4.04Å; I1116-N1148 HydrophobicContact CG1-CB 4.21Å; L1142-N1148 VanDerWaalsContact O-CB 3.3Å; L1142-N1148 WeakPolarHBondContact O-CB 3.38Å; L1142-N1148 PolarHBondContact O-ND2 3Å; M1143-N1148 HydrophobicContact CE-CB 3.88Å; N1145-N1148 HydrophobicContact CB-CB 4.44Å; N1145-N1148 WeakPolarHBondContact O-CB 3.39Å; N1145-N1148 PolarHBondContact O-N 3.05Å; N1145-N1148 VanDerWaalsContact O-N 3.12Å; K1146-N1148 VanDerWaalsContact C-N 3.34Å; N1148-M1150 VanDerWaalsContact C-N 3.33Å; N1148-M1150 PolarHBondContact O-N 3.26Å; N1148-S1151 PolarHBondContact O-N 3.21Å; N1148-F1152 VanDerWaalsContact O-CB 3.3Å; N1148-F1152 WeakPolarHBondContact O-CB 3.33Å; N1148-F1152 PolarHBondContact O-N 3.27Å |
| 1149 | V | 92.7 | Very high | 92 | Very high | 7.6 Ų | 7.6 | 33.8 Ų | 33.8 | 5% | 0.046 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.1 | -46.9 | 174.7 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | M1143 N1145 K1146 N1147 S1151 F1152 V1153 L1401 S1404 P1421 | M1143-V1149 HydrophobicContact CB-CG2 4.12Å; M1143-V1149 HydrophobicContact CG-CG2 4.39Å; M1143-V1149 WeakPolarHBondContact O-CG2 3.42Å; M1143-V1149 HydrophobicContact SD-CB 4.25Å; M1143-V1149 HydrophobicContact SD-CG2 3.74Å; N1145-V1149 PolarHBondContact O-N 2.97Å; K1146-V1149 WeakPolarHBondContact O-CB 3.45Å; K1146-V1149 PolarHBondContact O-N 3.22Å; N1147-V1149 VanDerWaalsContact C-N 3.33Å; N1147-V1149 PolarHBondContact O-N 3.41Å; V1149-S1151 PolarHBondContact O-N 2.94Å; V1149-F1152 PolarHBondContact O-N 3.09Å; V1149-V1153 WeakPolarHBondContact O-CG2 3.43Å; V1149-V1153 PolarHBondContact O-N 3.29Å; V1149-L1401 HydrophobicContact CB-CD2 4.36Å; V1149-L1401 HydrophobicContact CG1-CB 4.22Å; V1149-L1401 HydrophobicContact CG1-CD2 3.86Å; V1149-L1401 HydrophobicContact CG2-CD2 4.07Å; V1149-S1404 WeakPolarHBondContact CG1-OG 3.16Å; V1149-P1421 HydrophobicContact CG1-CG 4.02Å |
| 1150 | M | 92.1 | Very high | 91.8 | Very high | 70 Ų | 70 | 33.8 Ų | 33.8 | 35% | 0.345 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.6 | -46 | 178.8 | -65.9 | -77.2 | -93.2 | 0 | 0 | 111.4 | K1146 N1147 N1148 F1152 V1153 D1154 K1420 | K1146-M1150 WeakPolarHBondContact O-CG 3.34Å; K1146-M1150 PolarHBondContact O-N 3.1Å; K1146-M1150 VanDerWaalsContact O-N 3.14Å; N1147-M1150 PolarHBondContact O-N 3.22Å; N1147-M1150 WeakPolarHBondContact OD1-CE 3.36Å; N1148-M1150 VanDerWaalsContact C-N 3.33Å; N1148-M1150 PolarHBondContact O-N 3.26Å; M1150-F1152 VanDerWaalsContact C-N 3.31Å; M1150-F1152 PolarHBondContact O-N 3.22Å; M1150-V1153 PolarHBondContact O-N 2.95Å; M1150-V1153 VanDerWaalsContact O-N 3.16Å; M1150-D1154 WeakPolarHBondContact O-CB 3.43Å; M1150-D1154 VanDerWaalsContact O-CG 3.27Å; M1150-D1154 PolarHBondContact O-N 3.19Å; M1150-K1420 HydrophobicContact CE-CB 4.36Å; M1150-K1420 HydrophobicContact CE-CD 3.51Å; M1150-K1420 VanDerWaalsContact CE-CD 3.46Å; M1150-K1420 HydrophobicContact CE-CG 3.9Å; M1150-K1420 HydrophobicContact SD-CB 4.19Å; M1150-K1420 HydrophobicContact SD-CD 4.16Å; M1150-K1420 HydrophobicContact SD-CG 4.31Å |
| 1151 | S | 90.7 | Very high | 91.8 | Very high | 31.4 Ų | 31.4 | 33.3 Ų | 33.3 | 22% | 0.22 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63 | -35.3 | 177 | -172.8 | 0 | 0 | 0 | 0 | 112.9 | N1147 N1148 V1149 D1154 A1155 | N1147-S1151 PolarHBondContact O-N 3.26Å; N1147-S1151 VanDerWaalsContact O-N 3.15Å; N1148-S1151 PolarHBondContact O-N 3.21Å; V1149-S1151 PolarHBondContact O-N 2.94Å; S1151-D1154 PolarHBondContact O-N 3.28Å; S1151-A1155 VanDerWaalsContact O-CB 3.29Å; S1151-A1155 WeakPolarHBondContact O-CB 3.33Å; S1151-A1155 PolarHBondContact O-N 2.98Å |
| 1152 | F | 93.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.009 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.3 | -40.6 | 176.8 | -176.5 | -105 | 0 | 0 | 0 | 112.4 | I1116 T1120 L1139 M1143 N1148 V1149 M1150 A1155 D1156 G1157 L1161 L1401 | I1116-F1152 VanDerWaalsContact CG2-CA 3.48Å; I1116-F1152 HydrophobicContact CG2-CB 3.71Å; I1116-F1152 HydrophobicContact CG2-CD2 4.09Å; I1116-F1152 HydrophobicContact CG2-CG 4.43Å; T1120-F1152 HydrophobicContact CG2-CD2 4.41Å; T1120-F1152 HydrophobicContact CG2-CE2 4.16Å; T1120-F1152 VanDerWaalsContact OG1-CD2 3.28Å; T1120-F1152 WeakPolarHBondContact OG1-CD2 3.33Å; T1120-F1152 WeakPolarHBondContact OG1-CE2 3.41Å; L1139-F1152 HydrophobicContact CD1-CE2 4.01Å; L1139-F1152 HydrophobicContact CD2-CD2 3.99Å; L1139-F1152 HydrophobicContact CD2-CE2 3.95Å; L1139-F1152 HydrophobicContact CG-CE2 4.48Å; M1143-F1152 HydrophobicContact CE-CB 3.91Å; M1143-F1152 HydrophobicContact CE-CD2 4.47Å; M1143-F1152 HydrophobicContact CE-CG 4.24Å; M1143-F1152 HydrophobicContact SD-CB 3.91Å; M1143-F1152 HydrophobicContact SD-CD1 4.25Å; M1143-F1152 HydrophobicContact SD-CG 4.12Å; N1148-F1152 VanDerWaalsContact O-CB 3.3Å; N1148-F1152 WeakPolarHBondContact O-CB 3.33Å; N1148-F1152 PolarHBondContact O-N 3.27Å; V1149-F1152 PolarHBondContact O-N 3.09Å; M1150-F1152 VanDerWaalsContact C-N 3.31Å; M1150-F1152 PolarHBondContact O-N 3.22Å; F1152-A1155 PolarHBondContact O-N 3.09Å; F1152-D1156 PolarHBondContact O-N 3.22Å; F1152-G1157 VanDerWaalsContact CE1-C 3.49Å; F1152-G1157 VanDerWaalsContact CZ-CA 3.44Å; F1152-G1157 WeakPolarHBondContact CZ-O 3.4Å; F1152-G1157 WeakPolarHBondContact O-CA 3.47Å; F1152-G1157 PolarHBondContact O-N 3.02Å; F1152-L1161 HydrophobicContact CE1-CD1 3.65Å; F1152-L1161 HydrophobicContact CE1-CG 4.27Å; F1152-L1161 HydrophobicContact CZ-CD1 3.76Å; F1152-L1161 HydrophobicContact CZ-CG 3.95Å; F1152-L1401 HydrophobicContact CD1-CD1 4.01Å; F1152-L1401 HydrophobicContact CD1-CD2 4.18Å; F1152-L1401 HydrophobicContact CE1-CD1 4.13Å |
| 1153 | V | 91.7 | Very high | 91.6 | Very high | 28.2 Ų | 28.2 | 32.9 Ų | 32.9 | 17% | 0.171 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.7 | -42.4 | 174.9 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | V1149 M1150 A1155 D1156 V1158 L1401 K1420 P1421 A1424 | V1149-V1153 WeakPolarHBondContact O-CG2 3.43Å; V1149-V1153 PolarHBondContact O-N 3.29Å; M1150-V1153 PolarHBondContact O-N 2.95Å; M1150-V1153 VanDerWaalsContact O-N 3.16Å; V1153-A1155 VanDerWaalsContact C-N 3.28Å; V1153-A1155 PolarHBondContact O-N 3.11Å; V1153-D1156 WeakPolarHBondContact O-CA 3.48Å; V1153-D1156 PolarHBondContact O-N 3.14Å; V1153-V1158 HydrophobicContact CG2-CG2 4.11Å; V1153-L1401 HydrophobicContact CG2-CD1 4.31Å; V1153-K1420 HydrophobicContact CG1-CB 4.06Å; V1153-P1421 HydrophobicContact CG2-CB 4.34Å; V1153-P1421 HydrophobicContact CG2-CG 4.13Å; V1153-A1424 HydrophobicContact CG1-CB 3.9Å |
| 1154 | D | 89.7 | Confident | 91.4 | Very high | 97.6 Ų | 97.6 | 32.7 Ų | 32.7 | 52% | 0.522 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -66.6 | -30.6 | 177.6 | -68.3 | -27.4 | 0 | 0 | 0 | 112 | M1150 S1151 D1156 K1420 | M1150-D1154 WeakPolarHBondContact O-CB 3.43Å; M1150-D1154 VanDerWaalsContact O-CG 3.27Å; M1150-D1154 PolarHBondContact O-N 3.19Å; S1151-D1154 PolarHBondContact O-N 3.28Å; D1154-D1156 PolarHBondContact O-N 2.95Å; D1154-K1420 WeakPolarHBondContact OD1-CD 3.22Å; D1154-K1420 IonicContact OD1-NZ 3.52Å; D1154-K1420 PolarHBondContact OD1-NZ 3.1Å; D1154-K1420 IonicContact OD2-NZ 3.46Å; D1154-K1420 PolarHBondContact OD2-NZ 2.93Å |
| 1155 | A | 88.4 | Confident | 91.5 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 5% | 0.05 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 6.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | P1117 T1120 S1151 F1152 V1153 G1157 C1262 | P1117-A1155 HydrophobicContact CB-CB 3.85Å; P1117-A1155 HydrophobicContact CG-CB 4.13Å; T1120-A1155 HydrophobicContact CG2-CB 4.33Å; S1151-A1155 VanDerWaalsContact O-CB 3.29Å; S1151-A1155 WeakPolarHBondContact O-CB 3.33Å; S1151-A1155 PolarHBondContact O-N 2.98Å; F1152-A1155 PolarHBondContact O-N 3.09Å; V1153-A1155 VanDerWaalsContact C-N 3.28Å; V1153-A1155 PolarHBondContact O-N 3.11Å; A1155-G1157 VanDerWaalsContact C-N 3.28Å; A1155-G1157 PolarHBondContact O-N 3.12Å; A1155-C1262 WeakPolarHBondContact O-CA 3.4Å; A1155-C1262 PolarHBondContact O-SG 3.18Å; A1155-C1262 VanDerWaalsContact O-SG 3.33Å |
| 1156 | D | 89.2 | Confident | 91.4 | Very high | 36.8 Ų | 36.8 | 28.6 Ų | 28.6 | 20% | 0.197 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 28.3 | 179.4 | -169.6 | 41.8 | 0 | 0 | 0 | 114.5 | F1152 V1153 D1154 V1158 R1159 R1261 | F1152-D1156 PolarHBondContact O-N 3.22Å; V1153-D1156 WeakPolarHBondContact O-CA 3.48Å; V1153-D1156 PolarHBondContact O-N 3.14Å; D1154-D1156 PolarHBondContact O-N 2.95Å; D1156-V1158 VanDerWaalsContact C-N 3.29Å; D1156-V1158 PolarHBondContact O-N 3.05Å; D1156-R1159 PolarHBondContact O-N 3.23Å; D1156-R1159 VanDerWaalsContact O-N 3.14Å; D1156-R1159 WeakPolarHBondContact OD1-CB 3.31Å; D1156-R1159 WeakPolarHBondContact OD1-CG 3.45Å; D1156-R1159 IonicContact OD1-CZ 3.16Å; D1156-R1159 IonicContact OD1-NE 3.23Å; D1156-R1159 PolarHBondContact OD1-NE 3.33Å; D1156-R1159 IonicContact OD1-NH2 3.8Å; D1156-R1159 VanDerWaalsContact OD2-CD 3.29Å; D1156-R1159 WeakPolarHBondContact OD2-CD 3.29Å; D1156-R1159 IonicContact OD2-CZ 3.44Å; D1156-R1159 IonicContact OD2-NE 3.48Å; D1156-R1159 PolarHBondContact OD2-NE 3.06Å; D1156-R1159 IonicContact OD2-NH2 2.8Å; D1156-R1159 PolarHBondContact OD2-NH2 2.96Å; D1156-R1261 WeakPolarHBondContact OD2-CB 3.35Å |
| 1157 | G | 91.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.6 | -23.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | T1120 F1152 A1155 R1159 V1160 L1161 | T1120-G1157 VanDerWaalsContact CG2-CA 3.43Å; F1152-G1157 VanDerWaalsContact CE1-C 3.49Å; F1152-G1157 VanDerWaalsContact CZ-CA 3.44Å; F1152-G1157 WeakPolarHBondContact CZ-O 3.4Å; F1152-G1157 WeakPolarHBondContact O-CA 3.47Å; F1152-G1157 PolarHBondContact O-N 3.02Å; A1155-G1157 VanDerWaalsContact C-N 3.28Å; A1155-G1157 PolarHBondContact O-N 3.12Å; G1157-R1159 VanDerWaalsContact C-N 3.31Å; G1157-R1159 PolarHBondContact O-N 3.2Å; G1157-V1160 PolarHBondContact O-N 3.26Å; G1157-L1161 WeakPolarHBondContact O-CG 3.4Å; G1157-L1161 PolarHBondContact O-N 3.09Å |
| 1158 | V | 93.1 | Very high | 91 | Very high | 12.4 Ų | 12.4 | 17.6 Ų | 17.6 | 8% | 0.075 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.4 | -44.2 | 175.6 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | V1153 D1156 V1160 L1161 I1162 L1398 L1401 A1424 I1425 | V1153-V1158 HydrophobicContact CG2-CG2 4.11Å; D1156-V1158 VanDerWaalsContact C-N 3.29Å; D1156-V1158 PolarHBondContact O-N 3.05Å; V1158-V1160 VanDerWaalsContact C-N 3.32Å; V1158-V1160 PolarHBondContact O-N 3.2Å; V1158-L1161 PolarHBondContact O-N 3.05Å; V1158-I1162 HydrophobicContact CG1-CD1 3.94Å; V1158-I1162 WeakPolarHBondContact O-CG1 3.38Å; V1158-I1162 PolarHBondContact O-N 3.07Å; V1158-I1162 VanDerWaalsContact O-N 3.13Å; V1158-L1398 HydrophobicContact CB-CD2 4.34Å; V1158-L1398 HydrophobicContact CG1-CD2 3.96Å; V1158-L1398 HydrophobicContact CG2-CD2 4.19Å; V1158-L1401 HydrophobicContact CG2-CD1 3.9Å; V1158-A1424 HydrophobicContact CB-CB 4.11Å; V1158-A1424 HydrophobicContact CG1-CB 4.17Å; V1158-A1424 HydrophobicContact CG2-CB 3.9Å; V1158-I1425 HydrophobicContact CG1-CB 4.45Å; V1158-I1425 HydrophobicContact CG1-CG1 3.68Å |
| 1159 | R | 90.9 | Very high | 90.6 | Very high | 22.8 Ų | 22.8 | 18.8 Ų | 18.8 | 9% | 0.086 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.9 | -40.7 | 177.5 | -163.1 | 175.6 | 43.8 | 151.6 | -7.7 | 111.4 | D1124 D1156 G1157 L1161 I1162 D1163 D1257 T1259 P1260 | D1124-R1159 IonicContact OD2-CZ 3.57Å; D1124-R1159 IonicContact OD2-NH1 3.89Å; D1124-R1159 IonicContact OD2-NH2 3.35Å; D1124-R1159 PolarHBondContact OD2-NH2 3.28Å; D1156-R1159 PolarHBondContact O-N 3.23Å; D1156-R1159 VanDerWaalsContact O-N 3.14Å; D1156-R1159 WeakPolarHBondContact OD1-CB 3.31Å; D1156-R1159 WeakPolarHBondContact OD1-CG 3.45Å; D1156-R1159 IonicContact OD1-CZ 3.16Å; D1156-R1159 IonicContact OD1-NE 3.23Å; D1156-R1159 PolarHBondContact OD1-NE 3.33Å; D1156-R1159 IonicContact OD1-NH2 3.8Å; D1156-R1159 VanDerWaalsContact OD2-CD 3.29Å; D1156-R1159 WeakPolarHBondContact OD2-CD 3.29Å; D1156-R1159 IonicContact OD2-CZ 3.44Å; D1156-R1159 IonicContact OD2-NE 3.48Å; D1156-R1159 PolarHBondContact OD2-NE 3.06Å; D1156-R1159 IonicContact OD2-NH2 2.8Å; D1156-R1159 PolarHBondContact OD2-NH2 2.96Å; G1157-R1159 VanDerWaalsContact C-N 3.31Å; G1157-R1159 PolarHBondContact O-N 3.2Å; R1159-L1161 PolarHBondContact O-N 3.46Å; R1159-I1162 PolarHBondContact O-N 3Å; R1159-I1162 VanDerWaalsContact O-N 3.09Å; R1159-D1163 WeakPolarHBondContact CG-OD2 3.08Å; R1159-D1163 IonicContact CZ-OD2 3.68Å; R1159-D1163 IonicContact NH1-OD2 3.09Å; R1159-D1163 PolarHBondContact NH1-OD2 2.94Å; R1159-D1163 WeakPolarHBondContact O-CB 3.34Å; R1159-D1163 VanDerWaalsContact O-CG 3.28Å; R1159-D1163 PolarHBondContact O-N 3.07Å; R1159-D1163 VanDerWaalsContact O-N 3.1Å; R1159-D1257 IonicContact CZ-OD2 3.28Å; R1159-D1257 VanDerWaalsContact NH1-CG 3.3Å; R1159-D1257 IonicContact NH1-OD1 3.46Å; R1159-D1257 IonicContact NH1-OD2 3.7Å; R1159-D1257 PolarHBondContact NH1-OD2 2.95Å; R1159-T1259 PolarHBondContact NH1-O 3.14Å; R1159-T1259 PolarHBondContact NH1-OG1 2.98Å; R1159-P1260 PolarHBondContact NH2-O 3.13Å |
| 1160 | V | 91.3 | Very high | 90 | Very high | 1.4 Ų | 1.4 | 19.8 Ų | 19.8 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | 177.3 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | T1120 L1123 D1124 G1157 V1158 I1162 D1163 L1164 C1262 | T1120-V1160 HydrophobicContact CG2-CG2 4.28Å; L1123-V1160 HydrophobicContact CB-CG1 4.49Å; L1123-V1160 HydrophobicContact CD2-CG1 3.88Å; L1123-V1160 HydrophobicContact CG-CG1 4Å; D1124-V1160 HydrophobicContact CB-CG1 4.24Å; D1124-V1160 HydrophobicContact CB-CG2 4.06Å; G1157-V1160 PolarHBondContact O-N 3.26Å; V1158-V1160 VanDerWaalsContact C-N 3.32Å; V1158-V1160 PolarHBondContact O-N 3.2Å; V1160-I1162 VanDerWaalsContact C-N 3.34Å; V1160-I1162 PolarHBondContact O-N 3.39Å; V1160-D1163 WeakPolarHBondContact O-CB 3.23Å; V1160-D1163 PolarHBondContact O-N 3.28Å; V1160-L1164 HydrophobicContact CG1-CD1 4.31Å; V1160-L1164 WeakPolarHBondContact O-CB 3.42Å; V1160-L1164 VanDerWaalsContact O-CG 3.3Å; V1160-L1164 WeakPolarHBondContact O-CG 3.27Å; V1160-L1164 PolarHBondContact O-N 3.3Å; V1160-L1164 VanDerWaalsContact O-N 3.09Å; V1160-C1262 WeakPolarHBondContact CG2-SG 3.37Å |
| 1161 | L | 94 | Very high | 89.1 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.5 | -39.9 | 178.1 | -69.1 | 178.8 | 0 | 0 | 0 | 112.7 | L1123 L1136 F1152 G1157 V1158 R1159 L1164 A1165 C1394 I1397 L1398 | L1123-L1161 HydrophobicContact CD2-CD2 4.46Å; L1136-L1161 HydrophobicContact CD2-CD2 3.48Å; L1136-L1161 VanDerWaalsContact CD2-CD2 3.45Å; F1152-L1161 HydrophobicContact CE1-CD1 3.65Å; F1152-L1161 HydrophobicContact CE1-CG 4.27Å; F1152-L1161 HydrophobicContact CZ-CD1 3.76Å; F1152-L1161 HydrophobicContact CZ-CG 3.95Å; G1157-L1161 WeakPolarHBondContact O-CG 3.4Å; G1157-L1161 PolarHBondContact O-N 3.09Å; V1158-L1161 PolarHBondContact O-N 3.05Å; R1159-L1161 PolarHBondContact O-N 3.46Å; L1161-L1164 PolarHBondContact O-N 3.22Å; L1161-A1165 VanDerWaalsContact O-CB 3.28Å; L1161-A1165 WeakPolarHBondContact O-CB 3.24Å; L1161-A1165 PolarHBondContact O-N 3.24Å; L1161-C1394 HydrophobicContact CB-CB 4.25Å; L1161-C1394 HydrophobicContact CD2-CB 4.29Å; L1161-C1394 WeakPolarHBondContact O-CB 3.47Å; L1161-I1397 HydrophobicContact CD1-CB 4Å; L1161-I1397 HydrophobicContact CD1-CG2 3.57Å; L1161-I1397 HydrophobicContact CD2-CD1 4.3Å; L1161-L1398 HydrophobicContact CB-CD1 4.39Å; L1161-L1398 HydrophobicContact CB-CD2 4.22Å; L1161-L1398 HydrophobicContact CB-CG 4.28Å; L1161-L1398 HydrophobicContact CD1-CD2 3.82Å; L1161-L1398 HydrophobicContact CD1-CG 4.02Å |
| 1162 | I | 92.7 | Very high | 87.5 | Confident | 16.4 Ų | 16.4 | 22.1 Ų | 22.1 | 8% | 0.084 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.5 | -43 | 177.9 | -68 | 170.9 | 0 | 0 | 0 | 110.5 | V1158 R1159 V1160 L1164 A1165 C1166 L1398 C1430 H1433 | V1158-I1162 HydrophobicContact CG1-CD1 3.94Å; V1158-I1162 WeakPolarHBondContact O-CG1 3.38Å; V1158-I1162 PolarHBondContact O-N 3.07Å; V1158-I1162 VanDerWaalsContact O-N 3.13Å; R1159-I1162 PolarHBondContact O-N 3Å; R1159-I1162 VanDerWaalsContact O-N 3.09Å; V1160-I1162 VanDerWaalsContact C-N 3.34Å; V1160-I1162 PolarHBondContact O-N 3.39Å; I1162-L1164 VanDerWaalsContact C-N 3.32Å; I1162-L1164 PolarHBondContact O-N 3.13Å; I1162-A1165 PolarHBondContact O-N 3.13Å; I1162-A1165 VanDerWaalsContact O-N 3.11Å; I1162-C1166 PolarHBondContact O-N 3.17Å; I1162-C1166 PolarHBondContact O-SG 3.08Å; I1162-L1398 HydrophobicContact CG1-CD1 3.89Å; I1162-C1430 HydrophobicContact CD1-CB 3.36Å; I1162-H1433 HydrophobicContact CG2-CB 3.89Å |
| 1163 | D | 89.3 | Confident | 85.5 | Confident | 18.8 Ų | 18.8 | 28.6 Ų | 28.6 | 10% | 0.101 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.5 | -41 | 176.4 | -80 | -5.6 | 0 | 0 | 0 | 112.4 | R1159 V1160 A1165 C1166 R1261 V1328 R1581 | R1159-D1163 WeakPolarHBondContact CG-OD2 3.08Å; R1159-D1163 IonicContact CZ-OD2 3.68Å; R1159-D1163 IonicContact NH1-OD2 3.09Å; R1159-D1163 PolarHBondContact NH1-OD2 2.94Å; R1159-D1163 WeakPolarHBondContact O-CB 3.34Å; R1159-D1163 VanDerWaalsContact O-CG 3.28Å; R1159-D1163 PolarHBondContact O-N 3.07Å; R1159-D1163 VanDerWaalsContact O-N 3.1Å; V1160-D1163 WeakPolarHBondContact O-CB 3.23Å; V1160-D1163 PolarHBondContact O-N 3.28Å; D1163-A1165 VanDerWaalsContact C-N 3.35Å; D1163-C1166 PolarHBondContact O-N 3.08Å; D1163-R1261 IonicContact OD2-CZ 3.49Å; D1163-R1261 IonicContact OD2-NH1 3.17Å; D1163-R1261 PolarHBondContact OD2-NH1 3.24Å; D1163-R1261 IonicContact OD2-NH2 3.16Å; D1163-R1261 PolarHBondContact OD2-NH2 3.1Å; D1163-V1328 HydrophobicContact CB-CB 4.17Å; D1163-V1328 HydrophobicContact CB-CG1 4.33Å; D1163-V1328 HydrophobicContact CB-CG2 3.77Å; D1163-R1581 IonicContact OD1-CZ 3.08Å; D1163-R1581 VanDerWaalsContact OD1-CZ 3.24Å; D1163-R1581 IonicContact OD1-NE 2.8Å; D1163-R1581 PolarHBondContact OD1-NE 3.17Å; D1163-R1581 IonicContact OD1-NH1 2.92Å; D1163-R1581 PolarHBondContact OD1-NH1 2.89Å; D1163-R1581 IonicContact OD1-NH2 2.78Å; D1163-R1581 PolarHBondContact OD1-NH2 3.11Å; D1163-R1581 IonicContact OD2-NH2 3.12Å |
| 1164 | L | 91.1 | Very high | 83.8 | Confident | 1.2 Ų | 1.2 | 30.7 Ų | 30.7 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.5 | -38.7 | 174.6 | -71 | 174.4 | 0 | 0 | 0 | 111.8 | L1123 R1132 L1136 V1160 L1161 I1162 C1166 L1167 V1328 W1332 | L1123-L1164 HydrophobicContact CD1-CD1 4.1Å; L1123-L1164 HydrophobicContact CD2-CD1 4.19Å; L1123-L1164 HydrophobicContact CG-CD1 4.18Å; R1132-L1164 HydrophobicContact CG-CD1 4.49Å; L1136-L1164 HydrophobicContact CD1-CD1 4.44Å; L1136-L1164 HydrophobicContact CD2-CD1 4.36Å; V1160-L1164 HydrophobicContact CG1-CD1 4.31Å; V1160-L1164 WeakPolarHBondContact O-CB 3.42Å; V1160-L1164 VanDerWaalsContact O-CG 3.3Å; V1160-L1164 WeakPolarHBondContact O-CG 3.27Å; V1160-L1164 PolarHBondContact O-N 3.3Å; V1160-L1164 VanDerWaalsContact O-N 3.09Å; L1161-L1164 PolarHBondContact O-N 3.22Å; I1162-L1164 VanDerWaalsContact C-N 3.32Å; I1162-L1164 PolarHBondContact O-N 3.13Å; L1164-C1166 VanDerWaalsContact C-N 3.32Å; L1164-C1166 PolarHBondContact O-N 3.09Å; L1164-L1167 HydrophobicContact CD2-CD1 4.12Å; L1164-L1167 VanDerWaalsContact O-CB 3.3Å; L1164-L1167 WeakPolarHBondContact O-CB 3.44Å; L1164-L1167 VanDerWaalsContact O-CG 3.29Å; L1164-L1167 WeakPolarHBondContact O-CG 3.36Å; L1164-L1167 PolarHBondContact O-N 3.09Å; L1164-V1328 HydrophobicContact CD2-CG1 3.98Å; L1164-W1332 HydrophobicContact CD2-CZ2 4.48Å |
| 1165 | A | 91.9 | Very high | 81.7 | Confident | 4.2 Ų | 4.2 | 30.4 Ų | 30.4 | 4% | 0.035 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.3 | -34.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1161 I1162 D1163 L1167 A1168 A1391 C1394 I1395 L1437 | L1161-A1165 VanDerWaalsContact O-CB 3.28Å; L1161-A1165 WeakPolarHBondContact O-CB 3.24Å; L1161-A1165 PolarHBondContact O-N 3.24Å; I1162-A1165 PolarHBondContact O-N 3.13Å; I1162-A1165 VanDerWaalsContact O-N 3.11Å; D1163-A1165 VanDerWaalsContact C-N 3.35Å; A1165-L1167 PolarHBondContact O-N 3.34Å; A1165-L1167 VanDerWaalsContact O-N 3.14Å; A1165-A1168 VanDerWaalsContact O-CB 3.25Å; A1165-A1168 WeakPolarHBondContact O-CB 3.37Å; A1165-A1168 PolarHBondContact O-N 3.07Å; A1165-A1168 VanDerWaalsContact O-N 3.12Å; A1165-A1391 HydrophobicContact CB-CB 4.03Å; A1165-A1391 WeakPolarHBondContact O-CB 3.19Å; A1165-C1394 HydrophobicContact CB-CB 4.09Å; A1165-I1395 HydrophobicContact CB-CD1 4.38Å; A1165-L1437 HydrophobicContact CB-CD1 3.89Å; A1165-L1437 WeakPolarHBondContact O-CD2 3.36Å |
| 1166 | C | 90.6 | Very high | 79.9 | Confident | 9.2 Ų | 9.2 | 35.1 Ų | 35.1 | 6% | 0.062 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.5 | -20.9 | 175.8 | -71.1 | 0 | 0 | 0 | 0 | 113.6 | I1162 D1163 L1164 A1168 H1169 I1580 R1581 | I1162-C1166 PolarHBondContact O-N 3.17Å; I1162-C1166 PolarHBondContact O-SG 3.08Å; D1163-C1166 PolarHBondContact O-N 3.08Å; L1164-C1166 VanDerWaalsContact C-N 3.32Å; L1164-C1166 PolarHBondContact O-N 3.09Å; C1166-A1168 PolarHBondContact O-N 3.14Å; C1166-A1168 VanDerWaalsContact O-N 3.1Å; C1166-H1169 WeakPolarHBondContact O-CB 3.47Å; C1166-H1169 PolarHBondContact O-CD2 3.08Å; C1166-H1169 PolarHBondContact O-N 3.08Å; C1166-H1169 VanDerWaalsContact O-N 3.09Å; C1166-I1580 HydrophobicContact CB-CB 4.19Å; C1166-I1580 HydrophobicContact CB-CD1 3.84Å; C1166-I1580 HydrophobicContact CB-CG1 3.98Å; C1166-R1581 PolarHBondContact SG-NH1 2.98Å |
| 1167 | L | 87.5 | Confident | 78 | Confident | 0.2 Ų | 0.2 | 35.8 Ų | 35.8 | 0% | 0.001 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -59.8 | -21.3 | 173.7 | -65 | 169.8 | 0 | 0 | 0 | 112.5 | L1164 A1165 H1169 L1170 V1328 W1332 Y1387 L1390 I1580 | L1164-L1167 HydrophobicContact CD2-CD1 4.12Å; L1164-L1167 VanDerWaalsContact O-CB 3.3Å; L1164-L1167 WeakPolarHBondContact O-CB 3.44Å; L1164-L1167 VanDerWaalsContact O-CG 3.29Å; L1164-L1167 WeakPolarHBondContact O-CG 3.36Å; L1164-L1167 PolarHBondContact O-N 3.09Å; A1165-L1167 PolarHBondContact O-N 3.34Å; A1165-L1167 VanDerWaalsContact O-N 3.14Å; L1167-H1169 PolarHBondContact O-N 3.17Å; L1167-H1169 VanDerWaalsContact O-N 3.1Å; L1167-L1170 HydrophobicContact CD2-CD1 4.08Å; L1167-L1170 WeakPolarHBondContact O-CB 3.45Å; L1167-L1170 PolarHBondContact O-N 3.25Å; L1167-V1328 HydrophobicContact CD1-CG1 4.02Å; L1167-V1328 HydrophobicContact CD2-CG1 4.19Å; L1167-V1328 HydrophobicContact CG-CG1 4.13Å; L1167-W1332 HydrophobicContact CD1-CB 4.15Å; L1167-W1332 VanDerWaalsContact CD1-CD1 3.45Å; L1167-W1332 HydrophobicContact CD1-CG 3.85Å; L1167-W1332 HydrophobicContact CD2-CB 4.2Å; L1167-Y1387 HydrophobicContact CB-CD1 3.63Å; L1167-Y1387 HydrophobicContact CB-CE1 4.09Å; L1167-Y1387 HydrophobicContact CB-CG 4.06Å; L1167-Y1387 HydrophobicContact CD1-CD1 4.07Å; L1167-Y1387 HydrophobicContact CD1-CE1 3.93Å; L1167-Y1387 HydrophobicContact CG-CD1 4.42Å; L1167-Y1387 HydrophobicContact CG-CE1 4.42Å; L1167-L1390 HydrophobicContact CD1-CD2 3.95Å; L1167-I1580 HydrophobicContact CD2-CD1 3.97Å; L1167-I1580 HydrophobicContact CG-CD1 4.48Å |
| 1168 | A | 86.3 | Confident | 75.7 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 3% | 0.025 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -54.9 | -25.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1165 C1166 L1170 H1171 R1174 A1391 L1437 T1440 L1445 | A1165-A1168 VanDerWaalsContact O-CB 3.25Å; A1165-A1168 WeakPolarHBondContact O-CB 3.37Å; A1165-A1168 PolarHBondContact O-N 3.07Å; A1165-A1168 VanDerWaalsContact O-N 3.12Å; C1166-A1168 PolarHBondContact O-N 3.14Å; C1166-A1168 VanDerWaalsContact O-N 3.1Å; A1168-L1170 VanDerWaalsContact C-N 3.28Å; A1168-L1170 PolarHBondContact O-N 3.18Å; A1168-H1171 WeakPolarHBondContact O-CB 3.33Å; A1168-H1171 PolarHBondContact O-N 2.93Å; A1168-H1171 VanDerWaalsContact O-N 3.08Å; A1168-R1174 VanDerWaalsContact O-CZ 3.29Å; A1168-R1174 PolarHBondContact O-NH1 3.31Å; A1168-R1174 PolarHBondContact O-NH2 3.12Å; A1168-A1391 HydrophobicContact CB-CB 3.86Å; A1168-L1437 HydrophobicContact CB-CD2 4.32Å; A1168-T1440 HydrophobicContact CB-CG2 4.08Å; A1168-L1445 HydrophobicContact CB-CD2 3.96Å |
| 1169 | H | 84.7 | Confident | 73.4 | Confident | 24.6 Ų | 24.6 | 45.4 Ų | 45.4 | 11% | 0.114 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -68.5 | -18.4 | 175.7 | -70.5 | -67.2 | 0 | 0 | 0 | 114.3 | C1166 L1167 A1197 Q1436 H1577 I1580 | C1166-H1169 WeakPolarHBondContact O-CB 3.47Å; C1166-H1169 PolarHBondContact O-CD2 3.08Å; C1166-H1169 PolarHBondContact O-N 3.08Å; C1166-H1169 VanDerWaalsContact O-N 3.09Å; L1167-H1169 PolarHBondContact O-N 3.17Å; L1167-H1169 VanDerWaalsContact O-N 3.1Å; H1169-A1197 WeakPolarHBondContact O-CB 3.48Å; H1169-Q1436 PolarHBondContact CE1-O 3.28Å; H1169-Q1436 VanDerWaalsContact CE1-O 3.23Å; H1169-H1577 PolarHBondContact O-CD2 2.75Å; H1169-I1580 HydrophobicContact CB-CB 4.36Å; H1169-I1580 HydrophobicContact CB-CG2 3.86Å |
| 1170 | L | 79.8 | Confident | 71 | Confident | 28.6 Ų | 28.6 | 52.2 Ų | 52.2 | 15% | 0.15 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -89.5 | -2.9 | 178.8 | -59.2 | 178.6 | 0 | 0 | 0 | 113.6 | L1167 A1168 T1172 F1233 Q1329 T1333 I1580 | L1167-L1170 HydrophobicContact CD2-CD1 4.08Å; L1167-L1170 WeakPolarHBondContact O-CB 3.45Å; L1167-L1170 PolarHBondContact O-N 3.25Å; A1168-L1170 VanDerWaalsContact C-N 3.28Å; A1168-L1170 PolarHBondContact O-N 3.18Å; L1170-T1172 PolarHBondContact O-N 3.13Å; L1170-F1233 HydrophobicContact CD1-CE1 4.2Å; L1170-F1233 HydrophobicContact CD1-CZ 4.09Å; L1170-F1233 HydrophobicContact CD2-CD1 4.3Å; L1170-F1233 HydrophobicContact CD2-CE1 4.14Å; L1170-F1233 HydrophobicContact CD2-CZ 4.25Å; L1170-F1233 HydrophobicContact CG-CE1 4.47Å; L1170-Q1329 HydrophobicContact CD1-CG 3.88Å; L1170-T1333 HydrophobicContact CD1-CG2 3.73Å; L1170-I1580 HydrophobicContact CD1-CG2 4.11Å; L1170-I1580 HydrophobicContact CD2-CG2 3.78Å; L1170-I1580 HydrophobicContact CG-CG2 3.79Å |
| 1171 | H | 72.9 | Confident | 68.6 | Low | 38 Ų | 38 | 56.6 Ų | 56.6 | 18% | 0.176 | 32% | 0.324 | C | S | . | . | trans | -69.3 | 119.3 | -174.9 | -167 | -95.6 | 0 | 0 | 0 | 112 | A1168 N1173 R1174 D1386 T1388 | A1168-H1171 WeakPolarHBondContact O-CB 3.33Å; A1168-H1171 PolarHBondContact O-N 2.93Å; A1168-H1171 VanDerWaalsContact O-N 3.08Å; H1171-N1173 VanDerWaalsContact C-N 3.31Å; H1171-N1173 PolarHBondContact ND1-N 3.13Å; H1171-N1173 PolarHBondContact O-N 3.15Å; H1171-R1174 PolarHBondContact ND1-NE 3.36Å; H1171-R1174 VanDerWaalsContact O-CD 3.28Å; H1171-R1174 WeakPolarHBondContact O-CD 3.46Å; H1171-R1174 WeakPolarHBondContact O-CG 3.45Å; H1171-R1174 PolarHBondContact O-NE 2.98Å; H1171-R1174 VanDerWaalsContact O-NE 3.12Å; H1171-D1386 IonicContact CD2-OD2 3.35Å; H1171-D1386 IonicContact CE1-OD2 2.7Å; H1171-D1386 WeakPolarHBondContact NE2-CB 3.25Å; H1171-D1386 IonicContact NE2-OD2 3.52Å; H1171-D1386 PolarHBondContact NE2-OD2 3.02Å; H1171-D1386 VanDerWaalsContact NE2-OD2 3.17Å; H1171-T1388 PolarHBondContact CD2-OG1 2.89Å | ||
| 1172 | T | 57.3 | Low | 66.1 | Low | 112.6 Ų | 112.6 | 63 Ų | 63 | 69% | 0.691 | 36% | 0.359 | S | S | * | . | trans | -75.7 | -26.7 | -168.7 | 50.1 | 0 | 0 | 0 | 0 | 115.1 | L1170 R1174 N1198 | L1170-T1172 PolarHBondContact O-N 3.13Å; T1172-R1174 PolarHBondContact O-N 3.26Å; T1172-R1174 VanDerWaalsContact O-N 3.14Å; T1172-N1198 WeakPolarHBondContact CG2-ND2 3.25Å | ||
| 1173 | N | 51.6 | Low | 63.4 | Low | 137.6 Ų | 137.6 | 67.7 Ų | 67.7 | 74% | 0.736 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -77.6 | 23.4 | -174.1 | -68.7 | -15.7 | 0 | 0 | 0 | 114.4 | H1171 A1175 | H1171-N1173 VanDerWaalsContact C-N 3.31Å; H1171-N1173 PolarHBondContact ND1-N 3.13Å; H1171-N1173 PolarHBondContact O-N 3.15Å; N1173-A1175 PolarHBondContact O-N 3.02Å |
| 1174 | R | 56.1 | Low | 60.8 | Low | 74 Ų | 74 | 74.6 Ų | 74.6 | 28% | 0.279 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -93.1 | 133.1 | -178.9 | -67 | -174.8 | -178 | 179.9 | 1.7 | 110.4 | A1168 H1171 T1172 P1176 S1195 T1388 T1440 | A1168-R1174 VanDerWaalsContact O-CZ 3.29Å; A1168-R1174 PolarHBondContact O-NH1 3.31Å; A1168-R1174 PolarHBondContact O-NH2 3.12Å; H1171-R1174 PolarHBondContact ND1-NE 3.36Å; H1171-R1174 VanDerWaalsContact O-CD 3.28Å; H1171-R1174 WeakPolarHBondContact O-CD 3.46Å; H1171-R1174 WeakPolarHBondContact O-CG 3.45Å; H1171-R1174 PolarHBondContact O-NE 2.98Å; H1171-R1174 VanDerWaalsContact O-NE 3.12Å; T1172-R1174 PolarHBondContact O-N 3.26Å; T1172-R1174 VanDerWaalsContact O-N 3.14Å; R1174-P1176 VanDerWaalsContact O-CD 3.28Å; R1174-P1176 WeakPolarHBondContact O-CD 3.33Å; R1174-P1176 VanDerWaalsContact O-N 3.14Å; R1174-S1195 PolarHBondContact O-OG 3.17Å; R1174-T1388 PolarHBondContact NH2-OG1 3.16Å; R1174-T1440 PolarHBondContact NH1-O 2.79Å |
| 1175 | A | 44.9 | Very low | 58.2 | Low | 89.6 Ų | 89.6 | 83.6 Ų | 83.6 | 74% | 0.74 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 121.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | N1173 T1177 | N1173-A1175 PolarHBondContact O-N 3.02Å; A1175-T1177 PolarHBondContact O-N 3.08Å |
| 1176 | P | 50.8 | Low | 55.4 | Low | 105.6 Ų | 105.6 | 86.3 Ų | 86.3 | 69% | 0.686 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 130.2 | 170.8 | 24.3 | -30 | 0 | 0 | 0 | 107.6 | R1174 P1178 S1195 | R1174-P1176 VanDerWaalsContact O-CD 3.28Å; R1174-P1176 WeakPolarHBondContact O-CD 3.33Å; R1174-P1176 VanDerWaalsContact O-N 3.14Å; P1176-P1178 WeakPolarHBondContact O-CD 3.26Å; P1176-S1195 VanDerWaalsContact CD-OG 3.31Å; P1176-S1195 WeakPolarHBondContact CD-OG 3.13Å |
| 1177 | T | 49.1 | Very low | 52.8 | Low | 52.4 Ų | 52.4 | 88.9 Ų | 88.9 | 32% | 0.321 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 131.8 | 167.9 | 35.9 | 0 | 0 | 0 | 0 | 108.1 | A1175 F1179 F1441 L1477 T1566 | A1175-T1177 PolarHBondContact O-N 3.08Å; T1177-F1179 VanDerWaalsContact C-N 3.29Å; T1177-F1179 VanDerWaalsContact O-CD2 3.3Å; T1177-F1179 WeakPolarHBondContact O-CD2 3.35Å; T1177-F1179 PolarHBondContact O-N 3.19Å; T1177-F1179 VanDerWaalsContact OG1-CE2 3.22Å; T1177-F1179 WeakPolarHBondContact OG1-CE2 3.36Å; T1177-F1179 WeakPolarHBondContact OG1-CZ 3.31Å; T1177-F1441 HydrophobicContact CG2-CD1 4.49Å; T1177-F1441 HydrophobicContact CG2-CD2 3.77Å; T1177-F1441 VanDerWaalsContact CG2-CD2 3.41Å; T1177-F1441 HydrophobicContact CG2-CE2 3.68Å; T1177-F1441 VanDerWaalsContact CG2-CE2 3.47Å; T1177-F1441 HydrophobicContact CG2-CG 3.96Å; T1177-F1441 HydrophobicContact CG2-CZ 4.07Å; T1177-L1477 HydrophobicContact CG2-CD1 4.46Å; T1177-T1566 HydrophobicContact CG2-CG2 4.48Å |
| 1178 | P | 43.5 | Very low | 50.5 | Low | 111.4 Ų | 111.4 | 93.8 Ų | 93.8 | 72% | 0.723 | 54% | 0.537 | S | S | * | . | trans | -69.2 | 87.6 | -175.8 | 27.2 | -33.2 | 0 | 0 | 0 | 109.8 | P1176 Q1180 | P1176-P1178 WeakPolarHBondContact O-CD 3.26Å; P1178-Q1180 VanDerWaalsContact C-N 3.32Å; P1178-Q1180 PolarHBondContact O-N 3.11Å | ||
| 1179 | F | 45.8 | Very low | 48.1 | Very low | 101 Ų | 101 | 101.2 Ų | 101.2 | 44% | 0.443 | 57% | 0.572 | S | S | . | * | trans | -69.1 | 106 | 164.6 | -70 | -75.2 | 0 | 0 | 0 | 107.3 | T1177 S1181 N1182 T1566 T1573 | T1177-F1179 VanDerWaalsContact C-N 3.29Å; T1177-F1179 VanDerWaalsContact O-CD2 3.3Å; T1177-F1179 WeakPolarHBondContact O-CD2 3.35Å; T1177-F1179 PolarHBondContact O-N 3.19Å; T1177-F1179 VanDerWaalsContact OG1-CE2 3.22Å; T1177-F1179 WeakPolarHBondContact OG1-CE2 3.36Å; T1177-F1179 WeakPolarHBondContact OG1-CZ 3.31Å; F1179-S1181 PolarHBondContact O-N 3.17Å; F1179-N1182 PolarHBondContact O-N 3.15Å; F1179-T1566 HydrophobicContact CD1-CG2 3.56Å; F1179-T1566 HydrophobicContact CE1-CG2 3.55Å; F1179-T1566 HydrophobicContact CG-CG2 4.31Å; F1179-T1566 HydrophobicContact CZ-CG2 4.5Å; F1179-T1573 HydrophobicContact CE1-CG2 4.5Å; F1179-T1573 HydrophobicContact CE2-CG2 4.43Å; F1179-T1573 HydrophobicContact CZ-CG2 3.81Å | ||
| 1180 | Q | 40.3 | Very low | 45.9 | Very low | 165.4 Ų | 165.4 | 104.9 Ų | 104.9 | 77% | 0.773 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -45.1 | 29.3 | 177.5 | -88.9 | -179.8 | -25.8 | 0 | 0 | 114.2 | P1178 N1182 V1183 | P1178-Q1180 VanDerWaalsContact C-N 3.32Å; P1178-Q1180 PolarHBondContact O-N 3.11Å; Q1180-N1182 VanDerWaalsContact C-N 3.35Å; Q1180-N1182 PolarHBondContact O-N 3.2Å; Q1180-V1183 PolarHBondContact O-N 2.93Å |
| 1181 | S | 41.2 | Very low | 43.9 | Very low | 94.4 Ų | 94.4 | 111 Ų | 111 | 66% | 0.66 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 31.3 | 174.1 | 62.6 | 0 | 0 | 0 | 0 | 112.9 | F1179 V1183 | F1179-S1181 PolarHBondContact O-N 3.17Å; S1181-V1183 PolarHBondContact O-N 2.72Å |
| 1182 | N | 40.1 | Very low | 42.2 | Very low | 135.8 Ų | 135.8 | 117.8 Ų | 117.8 | 73% | 0.726 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -117.5 | 20.3 | 173.5 | -73.6 | -18.1 | 0 | 0 | 0 | 114.3 | F1179 Q1180 | F1179-N1182 PolarHBondContact O-N 3.15Å; Q1180-N1182 VanDerWaalsContact C-N 3.35Å; Q1180-N1182 PolarHBondContact O-N 3.2Å |
| 1183 | V | 35.8 | Very low | 41.3 | Very low | 113.4 Ų | 113.4 | 114.5 Ų | 114.5 | 69% | 0.687 | 63% | 0.628 | S | S | * | * | trans | -94.7 | 34.1 | -178.6 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | Q1180 S1181 K1185 | Q1180-V1183 PolarHBondContact O-N 2.93Å; S1181-V1183 PolarHBondContact O-N 2.72Å; V1183-K1185 VanDerWaalsContact C-N 3.31Å; V1183-K1185 PolarHBondContact O-N 3Å | ||
| 1184 | L | 36.2 | Very low | 40.7 | Very low | 165 Ų | 165 | 110.4 Ų | 110.4 | 86% | 0.864 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -72.6 | 38.7 | -175.8 | -76.5 | 162.5 | 0 | 0 | 0 | 114.8 | A1186 | L1184-A1186 PolarHBondContact O-N 2.77Š|
| 1185 | K | 35.4 | Very low | 40.4 | Very low | 189.8 Ų | 189.8 | 109.3 Ų | 109.3 | 83% | 0.825 | 62% | 0.621 | S | S | * | * | trans | -137.5 | 77.3 | 172.4 | -78.4 | 179.5 | -179.5 | 179.9 | 0 | 112.7 | V1183 S1187 Q1190 | V1183-K1185 VanDerWaalsContact C-N 3.31Å; V1183-K1185 PolarHBondContact O-N 3Å; K1185-S1187 PolarHBondContact O-N 3.28Å; K1185-S1187 VanDerWaalsContact O-N 3.11Å; K1185-Q1190 PolarHBondContact O-OE1 3.26Å | ||
| 1186 | A | 33.8 | Very low | 40.7 | Very low | 60.4 Ų | 60.4 | 105.5 Ų | 105.5 | 50% | 0.499 | 59% | 0.591 | S | S | . | * | trans | -66.1 | 114.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L1184 Q1190 E1191 | L1184-A1186 PolarHBondContact O-N 2.77Å; A1186-Q1190 HydrophobicContact CB-CB 4.04Å; A1186-Q1190 HydrophobicContact CB-CG 4.27Å; A1186-E1191 HydrophobicContact CB-CG 4.24Å | ||
| 1187 | S | 36.4 | Very low | 40.7 | Very low | 65 Ų | 65 | 101 Ų | 101 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | trans | -70.2 | 156.5 | 160.8 | 39.7 | 0 | 0 | 0 | 0 | 109 | K1185 E1189 Q1190 E1191 | K1185-S1187 PolarHBondContact O-N 3.28Å; K1185-S1187 VanDerWaalsContact O-N 3.11Å; S1187-E1189 PolarHBondContact O-N 3.06Å; S1187-Q1190 CarbonylContact O-C 3.22Å; S1187-Q1190 WeakPolarHBondContact O-CA 3.29Å; S1187-Q1190 WeakPolarHBondContact O-CB 3.39Å; S1187-Q1190 PolarHBondContact O-N 3.19Å; S1187-Q1190 PolarHBondContact OG-N 2.88Å; S1187-E1191 PolarHBondContact O-N 2.98Å | ||
| 1188 | S | 39.4 | Very low | 41.1 | Very low | 101.2 Ų | 101.2 | 100.7 Ų | 100.7 | 71% | 0.708 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -55 | -21.1 | 176.5 | 42.1 | 0 | 0 | 0 | 0 | 114 | Q1190 F1192 | S1188-Q1190 VanDerWaalsContact C-N 3.32Å; S1188-F1192 PolarHBondContact O-N 3.17Å |
| 1189 | E | 35.6 | Very low | 42.1 | Very low | 160.2 Ų | 160.2 | 98.9 Ų | 98.9 | 75% | 0.749 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -72.4 | -27.1 | 172 | -69 | 176.3 | 153.7 | 0 | 0 | 113.1 | S1187 F1192 S1193 | S1187-E1189 PolarHBondContact O-N 3.06Å; E1189-F1192 VanDerWaalsContact O-CB 3.26Å; E1189-F1192 WeakPolarHBondContact O-CB 3.38Å; E1189-F1192 PolarHBondContact O-N 3.47Å; E1189-S1193 WeakPolarHBondContact O-CB 3.17Å; E1189-S1193 PolarHBondContact O-N 3.03Å; E1189-S1193 PolarHBondContact O-OG 3.25Å |
| 1190 | Q | 38.8 | Very low | 43.5 | Very low | 102.4 Ų | 102.4 | 97.6 Ų | 97.6 | 48% | 0.479 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -86 | -22.4 | -179.1 | -136.5 | 176.5 | -5.6 | 0 | 0 | 113.5 | K1185 A1186 S1187 S1188 F1192 S1193 G1194 | K1185-Q1190 PolarHBondContact O-OE1 3.26Å; A1186-Q1190 HydrophobicContact CB-CB 4.04Å; A1186-Q1190 HydrophobicContact CB-CG 4.27Å; S1187-Q1190 CarbonylContact O-C 3.22Å; S1187-Q1190 WeakPolarHBondContact O-CA 3.29Å; S1187-Q1190 WeakPolarHBondContact O-CB 3.39Å; S1187-Q1190 PolarHBondContact O-N 3.19Å; S1187-Q1190 PolarHBondContact OG-N 2.88Å; S1188-Q1190 VanDerWaalsContact C-N 3.32Å; Q1190-F1192 VanDerWaalsContact C-N 3.29Å; Q1190-F1192 PolarHBondContact O-N 3.08Å; Q1190-S1193 VanDerWaalsContact C-OG 3.3Å; Q1190-S1193 WeakPolarHBondContact CA-OG 3.36Å; Q1190-S1193 WeakPolarHBondContact CB-OG 3.5Å; Q1190-S1193 WeakPolarHBondContact CG-OG 3.36Å; Q1190-S1193 CarbonylContact O-C 3.54Å; Q1190-S1193 VanDerWaalsContact O-C 3.26Å; Q1190-S1193 VanDerWaalsContact O-CA 3.28Å; Q1190-S1193 WeakPolarHBondContact O-CA 3.21Å; Q1190-S1193 WeakPolarHBondContact O-CB 3.36Å; Q1190-S1193 PolarHBondContact O-N 2.97Å; Q1190-S1193 VanDerWaalsContact O-N 3.11Å; Q1190-S1193 PolarHBondContact O-OG 3.23Å; Q1190-G1194 PolarHBondContact O-N 3.27Å; Q1190-G1194 VanDerWaalsContact O-N 3.14Å |
| 1191 | E | 36.9 | Very low | 45.5 | Very low | 156.8 Ų | 156.8 | 96.7 Ų | 96.7 | 73% | 0.733 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.9 | -34.6 | 169.6 | -69.7 | -170.9 | 162.5 | 0 | 0 | 111.6 | A1186 S1187 S1193 G1194 S1195 | A1186-E1191 HydrophobicContact CB-CG 4.24Å; S1187-E1191 PolarHBondContact O-N 2.98Å; E1191-S1193 PolarHBondContact O-N 3.15Å; E1191-G1194 PolarHBondContact O-N 3.04Å; E1191-S1195 PolarHBondContact O-N 2.74Å |
| 1192 | F | 37.4 | Very low | 47.5 | Very low | 180.2 Ų | 180.2 | 93.4 Ų | 93.4 | 79% | 0.79 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70.8 | -21.2 | 171.9 | -116.2 | -85.8 | 0 | 0 | 0 | 113.3 | S1188 E1189 Q1190 G1194 N1198 | S1188-F1192 PolarHBondContact O-N 3.17Å; E1189-F1192 VanDerWaalsContact O-CB 3.26Å; E1189-F1192 WeakPolarHBondContact O-CB 3.38Å; E1189-F1192 PolarHBondContact O-N 3.47Å; Q1190-F1192 VanDerWaalsContact C-N 3.29Å; Q1190-F1192 PolarHBondContact O-N 3.08Å; F1192-G1194 VanDerWaalsContact C-N 3.31Å; F1192-N1198 WeakPolarHBondContact CD1-ND2 3.46Å; F1192-N1198 WeakPolarHBondContact O-CB 3.24Å; F1192-N1198 PolarHBondContact O-ND2 3.03Å |
| 1193 | S | 37.2 | Very low | 49.8 | Very low | 43.2 Ų | 43.2 | 86.9 Ų | 86.9 | 30% | 0.302 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 17 | 177.1 | 43.8 | 0 | 0 | 0 | 0 | 113.5 | E1189 Q1190 E1191 S1195 N1198 T1199 | E1189-S1193 WeakPolarHBondContact O-CB 3.17Å; E1189-S1193 PolarHBondContact O-N 3.03Å; E1189-S1193 PolarHBondContact O-OG 3.25Å; Q1190-S1193 VanDerWaalsContact C-OG 3.3Å; Q1190-S1193 WeakPolarHBondContact CA-OG 3.36Å; Q1190-S1193 WeakPolarHBondContact CB-OG 3.5Å; Q1190-S1193 WeakPolarHBondContact CG-OG 3.36Å; Q1190-S1193 CarbonylContact O-C 3.54Å; Q1190-S1193 VanDerWaalsContact O-C 3.26Å; Q1190-S1193 VanDerWaalsContact O-CA 3.28Å; Q1190-S1193 WeakPolarHBondContact O-CA 3.21Å; Q1190-S1193 WeakPolarHBondContact O-CB 3.36Å; Q1190-S1193 PolarHBondContact O-N 2.97Å; Q1190-S1193 VanDerWaalsContact O-N 3.11Å; Q1190-S1193 PolarHBondContact O-OG 3.23Å; E1191-S1193 PolarHBondContact O-N 3.15Å; S1193-S1195 PolarHBondContact O-N 3.22Å; S1193-N1198 WeakPolarHBondContact CA-ND2 3.33Å; S1193-N1198 PolarHBondContact OG-ND2 3.45Å; S1193-T1199 WeakPolarHBondContact O-CG2 3.31Å |
| 1194 | G | 40.3 | Very low | 52.4 | Low | 51.2 Ų | 51.2 | 85.8 Ų | 85.8 | 53% | 0.528 | 45% | 0.454 | S | S | . | . | trans | -65.2 | 7.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q1190 E1191 F1192 G1196 T1199 | Q1190-G1194 PolarHBondContact O-N 3.27Å; Q1190-G1194 VanDerWaalsContact O-N 3.14Å; E1191-G1194 PolarHBondContact O-N 3.04Å; F1192-G1194 VanDerWaalsContact C-N 3.31Å; G1194-G1196 PolarHBondContact O-N 3.29Å; G1194-T1199 VanDerWaalsContact O-CG2 3.26Å; G1194-T1199 WeakPolarHBondContact O-CG2 3.31Å | ||
| 1195 | S | 49.2 | Very low | 54.8 | Low | 50.4 Ų | 50.4 | 78.7 Ų | 78.7 | 35% | 0.352 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -87.3 | 128 | 175 | 163.8 | 0 | 0 | 0 | 0 | 110.9 | R1174 P1176 E1191 S1193 A1197 N1198 | R1174-S1195 PolarHBondContact O-OG 3.17Å; P1176-S1195 VanDerWaalsContact CD-OG 3.31Å; P1176-S1195 WeakPolarHBondContact CD-OG 3.13Å; E1191-S1195 PolarHBondContact O-N 2.74Å; S1193-S1195 PolarHBondContact O-N 3.22Å; S1195-A1197 PolarHBondContact O-N 3.04Å; S1195-A1197 WeakPolarHBondContact OG-CB 3.34Å; S1195-A1197 PolarHBondContact OG-N 2.89Å; S1195-N1198 PolarHBondContact O-N 3.07Å |
| 1196 | G | 50.8 | Low | 57.1 | Low | 9.6 Ų | 9.6 | 70.1 Ų | 70.1 | 10% | 0.099 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.6 | -30.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1194 N1198 T1199 Q1200 P1574 | G1194-G1196 PolarHBondContact O-N 3.29Å; G1196-N1198 VanDerWaalsContact C-N 3.27Å; G1196-N1198 PolarHBondContact O-N 3.05Å; G1196-T1199 PolarHBondContact O-N 3.23Å; G1196-T1199 PolarHBondContact O-OG1 3.15Å; G1196-Q1200 VanDerWaalsContact O-CB 3.28Å; G1196-Q1200 WeakPolarHBondContact O-CB 3.36Å; G1196-Q1200 WeakPolarHBondContact O-CG 3.32Å; G1196-Q1200 PolarHBondContact O-N 3.01Å; G1196-P1574 WeakPolarHBondContact CA-O 3.26Å |
| 1197 | A | 52.5 | Low | 58.9 | Low | 12 Ų | 12 | 68.5 Ų | 68.5 | 10% | 0.099 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.8 | -26.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | H1169 S1195 T1199 Q1200 S1232 F1233 N1234 H1577 | H1169-A1197 WeakPolarHBondContact O-CB 3.48Å; S1195-A1197 PolarHBondContact O-N 3.04Å; S1195-A1197 WeakPolarHBondContact OG-CB 3.34Å; S1195-A1197 PolarHBondContact OG-N 2.89Å; A1197-T1199 PolarHBondContact O-N 3.49Å; A1197-Q1200 PolarHBondContact O-N 3.38Å; A1197-S1232 WeakPolarHBondContact O-CB 3.4Å; A1197-F1233 HydrophobicContact CB-CB 4.33Å; A1197-F1233 HydrophobicContact CB-CD1 4.11Å; A1197-F1233 PolarHBondContact O-N 3.42Å; A1197-N1234 PolarHBondContact O-N 3.2Å; A1197-H1577 HydrophobicContact CB-CB 4.42Å |
| 1198 | N | 56.8 | Low | 60.2 | Low | 45.2 Ų | 45.2 | 69.6 Ų | 69.6 | 24% | 0.242 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -79 | -35.3 | 176.8 | -80.8 | -4.5 | 0 | 0 | 0 | 113.1 | T1172 F1192 S1193 S1195 G1196 S1232 N1234 | T1172-N1198 WeakPolarHBondContact CG2-ND2 3.25Å; F1192-N1198 WeakPolarHBondContact CD1-ND2 3.46Å; F1192-N1198 WeakPolarHBondContact O-CB 3.24Å; F1192-N1198 PolarHBondContact O-ND2 3.03Å; S1193-N1198 WeakPolarHBondContact CA-ND2 3.33Å; S1193-N1198 PolarHBondContact OG-ND2 3.45Å; S1195-N1198 PolarHBondContact O-N 3.07Å; G1196-N1198 VanDerWaalsContact C-N 3.27Å; G1196-N1198 PolarHBondContact O-N 3.05Å; N1198-S1232 WeakPolarHBondContact O-CB 3.34Å; N1198-N1234 WeakPolarHBondContact OD1-CB 3.16Å; N1198-N1234 PolarHBondContact OD1-ND2 3.02Å |
| 1199 | T | 63.4 | Low | 60.8 | Low | 73.4 Ų | 73.4 | 69.3 Ų | 69.3 | 45% | 0.45 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -97.8 | -26 | -169 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | S1193 G1194 G1196 A1197 R1201 | S1193-T1199 WeakPolarHBondContact O-CG2 3.31Å; G1194-T1199 VanDerWaalsContact O-CG2 3.26Å; G1194-T1199 WeakPolarHBondContact O-CG2 3.31Å; G1196-T1199 PolarHBondContact O-N 3.23Å; G1196-T1199 PolarHBondContact O-OG1 3.15Å; A1197-T1199 PolarHBondContact O-N 3.49Å; T1199-R1201 PolarHBondContact O-N 3.13Å |
| 1200 | Q | 75.7 | Confident | 61.2 | Low | 74 Ų | 74 | 68.7 Ų | 68.7 | 35% | 0.346 | 36% | 0.357 | S | S | . | . | trans | -86.5 | 108.5 | -177.6 | -63.6 | -77.6 | -22.1 | 0 | 0 | 110.9 | G1196 A1197 S1232 P1574 R1575 S1578 | G1196-Q1200 VanDerWaalsContact O-CB 3.28Å; G1196-Q1200 WeakPolarHBondContact O-CB 3.36Å; G1196-Q1200 WeakPolarHBondContact O-CG 3.32Å; G1196-Q1200 PolarHBondContact O-N 3.01Å; A1197-Q1200 PolarHBondContact O-N 3.38Å; Q1200-S1232 WeakPolarHBondContact O-CA 3.33Å; Q1200-P1574 HydrophobicContact CG-CB 4.16Å; Q1200-R1575 HydrophobicContact CG-CB 4.47Å; Q1200-R1575 HydrophobicContact CG-CG 4.32Å; Q1200-S1578 PolarHBondContact O-OG 3.16Å | ||
| 1201 | R | 83.2 | Confident | 61.1 | Low | 146.4 Ų | 146.4 | 69.4 Ų | 69.4 | 55% | 0.552 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 104.1 | 175.4 | -64.2 | -170.1 | 172.3 | 177.6 | -0.1 | 110.3 | T1199 P1230 V1231 E1235 | T1199-R1201 PolarHBondContact O-N 3.13Å; R1201-P1230 HydrophobicContact CB-CB 4.13Å; R1201-P1230 HydrophobicContact CB-CG 4.2Å; R1201-P1230 WeakPolarHBondContact CD-O 3.23Å; R1201-P1230 VanDerWaalsContact O-CB 3.32Å; R1201-P1230 WeakPolarHBondContact O-CB 3.29Å; R1201-V1231 WeakPolarHBondContact CA-O 3.36Å; R1201-E1235 IonicContact CZ-OE1 3.16Å; R1201-E1235 VanDerWaalsContact CZ-OE1 3.27Å; R1201-E1235 IonicContact CZ-OE2 3.34Å; R1201-E1235 IonicContact NE-OE1 3.55Å; R1201-E1235 PolarHBondContact NE-OE1 3.14Å; R1201-E1235 IonicContact NE-OE2 3.14Å; R1201-E1235 PolarHBondContact NE-OE2 3.14Å; R1201-E1235 IonicContact NH2-OE1 3.16Å; R1201-E1235 PolarHBondContact NH2-OE1 3.29Å; R1201-E1235 IonicContact NH2-OE2 3.42Å |
| 1202 | E | 82.6 | Confident | 61 | Low | 25.8 Ų | 25.8 | 70.4 Ų | 70.4 | 12% | 0.121 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | -10.3 | -178.1 | -56.1 | -173 | -166.9 | 0 | 0 | 114.3 | W1204 V1231 R1575 N1579 | E1202-W1204 VanDerWaalsContact O-CD1 3.27Å; E1202-W1204 PolarHBondContact O-NE1 3.21Å; E1202-V1231 PolarHBondContact N-O 3.11Å; E1202-V1231 VanDerWaalsContact N-O 3.11Å; E1202-R1575 VanDerWaalsContact CD-NE 3.27Å; E1202-R1575 VanDerWaalsContact OE1-CB 3.23Å; E1202-R1575 WeakPolarHBondContact OE1-CB 3.15Å; E1202-R1575 WeakPolarHBondContact OE1-CD 3.3Å; E1202-R1575 VanDerWaalsContact OE1-CG 3.29Å; E1202-R1575 WeakPolarHBondContact OE1-CG 3.34Å; E1202-R1575 IonicContact OE1-CZ 3.1Å; E1202-R1575 VanDerWaalsContact OE1-CZ 3.22Å; E1202-R1575 IonicContact OE1-NE 3.4Å; E1202-R1575 PolarHBondContact OE1-NE 2.92Å; E1202-R1575 IonicContact OE1-NH2 3.26Å; E1202-R1575 PolarHBondContact OE1-NH2 3Å; E1202-R1575 IonicContact OE2-CZ 3.53Å; E1202-R1575 VanDerWaalsContact OE2-CZ 3.25Å; E1202-R1575 IonicContact OE2-NE 3.3Å; E1202-R1575 PolarHBondContact OE2-NE 3.22Å; E1202-R1575 IonicContact OE2-NH2 3.4Å; E1202-R1575 PolarHBondContact OE2-NH2 3.05Å; E1202-N1579 HydrophobicContact CG-CB 4.35Å; E1202-N1579 WeakPolarHBondContact OE1-CB 3.38Å |
| 1203 | W | 89.1 | Confident | 60.7 | Low | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 133.6 | -174.7 | -68 | 94 | 0 | 0 | 0 | 111.1 | P1230 V1231 F1233 L1236 V1251 A1253 L1256 I1327 I1330 S1578 N1579 | W1203-P1230 CarbonylContact O-C 3.55Å; W1203-P1230 VanDerWaalsContact O-CA 3.29Å; W1203-P1230 WeakPolarHBondContact O-CA 3.22Å; W1203-V1231 HydrophobicContact CB-CG2 3.88Å; W1203-V1231 WeakPolarHBondContact CB-O 3.34Å; W1203-V1231 PolarHBondContact N-O 3.35Å; W1203-V1231 VanDerWaalsContact N-O 3.07Å; W1203-V1231 WeakPolarHBondContact O-CG2 3.34Å; W1203-V1231 PolarHBondContact O-N 3.13Å; W1203-F1233 HydrophobicContact CZ2-CD2 4.35Å; W1203-F1233 AromaticContact NE1-CD2 3.91Å; W1203-L1236 HydrophobicContact CB-CD1 4.28Å; W1203-L1236 HydrophobicContact CB-CD2 4.2Å; W1203-L1236 HydrophobicContact CD2-CD2 3.78Å; W1203-L1236 HydrophobicContact CE3-CD2 3.9Å; W1203-L1236 HydrophobicContact CG-CD2 3.92Å; W1203-L1236 HydrophobicContact CZ3-CD2 4.46Å; W1203-V1251 HydrophobicContact CE3-CG1 3.55Å; W1203-V1251 VanDerWaalsContact CE3-CG1 3.5Å; W1203-V1251 HydrophobicContact CZ3-CG1 3.91Å; W1203-A1253 HydrophobicContact CD2-CB 3.95Å; W1203-A1253 HydrophobicContact CE3-CB 3.63Å; W1203-A1253 HydrophobicContact CH2-CB 4.07Å; W1203-A1253 HydrophobicContact CZ2-CB 4.36Å; W1203-A1253 HydrophobicContact CZ3-CB 3.7Å; W1203-L1256 HydrophobicContact CZ3-CD1 4.12Å; W1203-I1327 HydrophobicContact CH2-CG2 4.17Å; W1203-I1327 HydrophobicContact CZ3-CD1 4.31Å; W1203-I1327 HydrophobicContact CZ3-CG2 4.37Å; W1203-I1330 HydrophobicContact CE3-CD1 4.31Å; W1203-I1330 HydrophobicContact CH2-CD1 4.37Å; W1203-I1330 HydrophobicContact CH2-CG1 4.47Å; W1203-I1330 HydrophobicContact CZ3-CD1 4.01Å; W1203-I1330 HydrophobicContact CZ3-CG1 4.47Å; W1203-S1578 WeakPolarHBondContact CZ2-O 3.34Å; W1203-S1578 PolarHBondContact NE1-O 3.01Å; W1203-N1579 HydrophobicContact CZ2-CB 4.12Å |
| 1204 | W | 88.9 | Confident | 60.3 | Low | 88.6 Ų | 88.6 | 74.9 Ų | 74.9 | 34% | 0.336 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 145.2 | 175.5 | -57.6 | 77.8 | 0 | 0 | 0 | 109.4 | E1202 I1227 Q1228 G1229 P1230 V1251 Y1252 W1321 | E1202-W1204 VanDerWaalsContact O-CD1 3.27Å; E1202-W1204 PolarHBondContact O-NE1 3.21Å; W1204-I1227 HydrophobicContact CB-CG2 4.48Å; W1204-I1227 HydrophobicContact CD2-CG2 4.44Å; W1204-I1227 HydrophobicContact CE3-CG2 3.65Å; W1204-I1227 HydrophobicContact CZ3-CG2 4.25Å; W1204-Q1228 CarbonylContact C-O 3.5Å; W1204-Q1228 WeakPolarHBondContact CA-O 3.37Å; W1204-G1229 VanDerWaalsContact CE3-C 3.47Å; W1204-G1229 VanDerWaalsContact CZ3-C 3.41Å; W1204-G1229 VanDerWaalsContact CZ3-O 3.24Å; W1204-G1229 WeakPolarHBondContact CZ3-O 3.36Å; W1204-P1230 HydrophobicContact CD2-CB 4.37Å; W1204-P1230 HydrophobicContact CH2-CB 4.49Å; W1204-P1230 VanDerWaalsContact CH2-CD 3.48Å; W1204-P1230 HydrophobicContact CH2-CG 4.38Å; W1204-P1230 HydrophobicContact CZ2-CB 3.86Å; W1204-P1230 HydrophobicContact CZ2-CG 3.95Å; W1204-V1251 CarbonylContact O-C 3.56Å; W1204-V1251 VanDerWaalsContact O-CA 3.26Å; W1204-V1251 WeakPolarHBondContact O-CA 3.39Å; W1204-V1251 WeakPolarHBondContact O-CG1 3.31Å; W1204-Y1252 HydrophobicContact CB-CD1 4.4Å; W1204-Y1252 AromaticContact CD1-CD1 3.83Å; W1204-Y1252 HydrophobicContact CG-CD1 4.32Å; W1204-Y1252 PolarHBondContact N-O 3.09Å; W1204-Y1252 PolarHBondContact O-N 3.08Å; W1204-W1321 HydrophobicContact CB-CH2 3.64Å; W1204-W1321 HydrophobicContact CB-CZ2 4.34Å; W1204-W1321 HydrophobicContact CB-CZ3 4.14Å |
| 1205 | Y | 87.5 | Confident | 60.1 | Low | 16 Ų | 16 | 78.2 Ų | 78.2 | 6% | 0.063 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 152.9 | 177.3 | 68.4 | -83.9 | 0 | 0 | 0 | 111.3 | N1207 Q1228 V1231 L1239 I1245 T1249 K1250 | Y1205-N1207 HydrophobicContact CE2-CB 4.39Å; Y1205-Q1228 HydrophobicContact CD1-CB 4.24Å; Y1205-Q1228 WeakPolarHBondContact CD1-O 3.41Å; Y1205-Q1228 HydrophobicContact CD2-CB 4.36Å; Y1205-Q1228 HydrophobicContact CE1-CB 3.77Å; Y1205-Q1228 HydrophobicContact CE2-CB 3.9Å; Y1205-Q1228 HydrophobicContact CE2-CG 4.23Å; Y1205-Q1228 HydrophobicContact CG-CB 4.44Å; Y1205-Q1228 VanDerWaalsContact CZ-CB 3.48Å; Y1205-Q1228 PolarHBondContact N-O 3.25Å; Y1205-Q1228 PolarHBondContact O-N 2.9Å; Y1205-Q1228 PolarHBondContact OH-OE1 3.25Å; Y1205-Q1228 VanDerWaalsContact OH-OE1 3.1Å; Y1205-V1231 HydrophobicContact CD1-CG2 4.44Å; Y1205-V1231 HydrophobicContact CE1-CG1 4.3Å; Y1205-V1231 HydrophobicContact CE1-CG2 4.45Å; Y1205-L1239 HydrophobicContact CD1-CD1 4.4Å; Y1205-L1239 HydrophobicContact CE1-CD1 3.59Å; Y1205-I1245 HydrophobicContact CD1-CD1 4.03Å; Y1205-I1245 HydrophobicContact CD2-CD1 4.04Å; Y1205-I1245 HydrophobicContact CD2-CG1 4.03Å; Y1205-I1245 HydrophobicContact CE1-CD1 4.33Å; Y1205-I1245 HydrophobicContact CE2-CD1 4.36Å; Y1205-I1245 HydrophobicContact CE2-CG1 4.27Å; Y1205-I1245 HydrophobicContact CG-CD1 3.83Å; Y1205-I1245 HydrophobicContact CG-CG1 4.3Å; Y1205-T1249 HydrophobicContact CD2-CG2 4.47Å; Y1205-K1250 WeakPolarHBondContact CA-O 3.42Å |
| 1206 | I | 84 | Confident | 59.4 | Low | 10.2 Ų | 10.2 | 81.4 Ų | 81.4 | 5% | 0.052 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 118.4 | 177.2 | -61.1 | 179.1 | 0 | 0 | 0 | 108.8 | T1208 H1225 I1227 T1249 K1250 C1316 W1321 | I1206-T1208 PolarHBondContact O-N 3.15Å; I1206-H1225 HydrophobicContact CG2-CB 3.74Å; I1206-I1227 HydrophobicContact CG1-CG1 4.33Å; I1206-T1249 VanDerWaalsContact O-CG2 3.26Å; I1206-T1249 WeakPolarHBondContact O-CG2 3.39Å; I1206-K1250 HydrophobicContact CB-CB 4.44Å; I1206-K1250 HydrophobicContact CD1-CB 4.05Å; I1206-K1250 HydrophobicContact CD1-CD 4.39Å; I1206-K1250 HydrophobicContact CG1-CB 4.38Å; I1206-K1250 PolarHBondContact N-O 3.05Å; I1206-C1316 HydrophobicContact CD1-CB 4.49Å; I1206-C1316 VanDerWaalsContact CD1-SG 3.56Å; I1206-C1316 WeakPolarHBondContact CD1-SG 3.26Å; I1206-W1321 HydrophobicContact CD1-CD2 4.2Å; I1206-W1321 HydrophobicContact CD1-CE3 3.89Å; I1206-W1321 HydrophobicContact CD1-CH2 4.5Å; I1206-W1321 HydrophobicContact CD1-CZ3 4.12Å; I1206-W1321 HydrophobicContact CG1-CD2 4.45Å; I1206-W1321 HydrophobicContact CG1-CE3 3.86Å; I1206-W1321 HydrophobicContact CG1-CH2 4.08Å; I1206-W1321 HydrophobicContact CG1-CZ3 3.6Å |
| 1207 | N | 72 | Confident | 58.5 | Low | 27 Ų | 27 | 85.1 Ų | 85.1 | 14% | 0.144 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 120.6 | 174.6 | -169.9 | -4.7 | 0 | 0 | 0 | 110.4 | Y1205 T1209 Q1210 S1226 Q1228 | Y1205-N1207 HydrophobicContact CE2-CB 4.39Å; N1207-T1209 PolarHBondContact ND2-OG1 3.47Å; N1207-T1209 WeakPolarHBondContact OD1-CA 3.28Å; N1207-T1209 WeakPolarHBondContact OD1-CB 3.3Å; N1207-T1209 WeakPolarHBondContact OD1-CG2 3.27Å; N1207-T1209 PolarHBondContact OD1-N 3.17Å; N1207-T1209 PolarHBondContact OD1-OG1 3.1Å; N1207-T1209 VanDerWaalsContact OD1-OG1 3.1Å; N1207-Q1210 PolarHBondContact ND2-NE2 2.92Å; N1207-S1226 PolarHBondContact N-O 3.04Å; N1207-S1226 VanDerWaalsContact N-O 3.12Å; N1207-Q1228 HydrophobicContact CB-CG 4.18Å; N1207-Q1228 PolarHBondContact ND2-OE1 2.89Å |
| 1208 | T | 62 | Low | 57.4 | Low | 88.4 Ų | 88.4 | 90 Ų | 90 | 54% | 0.542 | 51% | 0.506 | S | S | . | . | trans | -99.2 | -2.1 | 177.2 | -18.7 | 0 | 0 | 0 | 0 | 113.1 | I1206 Q1210 H1225 | I1206-T1208 PolarHBondContact O-N 3.15Å; T1208-Q1210 VanDerWaalsContact C-N 3.3Å; T1208-Q1210 PolarHBondContact O-N 2.99Å; T1208-Q1210 VanDerWaalsContact O-N 3.12Å; T1208-H1225 VanDerWaalsContact CG2-CE1 3.46Å; T1208-H1225 WeakPolarHBondContact CG2-CE1 3.46Å; T1208-H1225 WeakPolarHBondContact CG2-ND1 3.32Å; T1208-H1225 PolarHBondContact OG1-ND1 3.26Å | ||
| 1209 | T | 52 | Low | 56.2 | Low | 93.6 Ų | 93.6 | 95.4 Ų | 95.4 | 57% | 0.574 | 53% | 0.533 | S | S | * | . | trans | -83.3 | 37.9 | -173.5 | 60.8 | 0 | 0 | 0 | 0 | 113.8 | N1207 T1211 | N1207-T1209 PolarHBondContact ND2-OG1 3.47Å; N1207-T1209 WeakPolarHBondContact OD1-CA 3.28Å; N1207-T1209 WeakPolarHBondContact OD1-CB 3.3Å; N1207-T1209 WeakPolarHBondContact OD1-CG2 3.27Å; N1207-T1209 PolarHBondContact OD1-N 3.17Å; N1207-T1209 PolarHBondContact OD1-OG1 3.1Å; N1207-T1209 VanDerWaalsContact OD1-OG1 3.1Å; T1209-T1211 VanDerWaalsContact C-N 3.32Å; T1209-T1211 PolarHBondContact O-N 2.9Å; T1209-T1211 VanDerWaalsContact O-N 3.14Å | ||
| 1210 | Q | 44.8 | Very low | 54.5 | Low | 147.6 Ų | 147.6 | 96.4 Ų | 96.4 | 69% | 0.69 | 55% | 0.549 | S | S | * | . | trans | -86.7 | 71.5 | 170.2 | -74.6 | -173 | 31.8 | 0 | 0 | 111.4 | N1207 T1208 E1212 | N1207-Q1210 PolarHBondContact ND2-NE2 2.92Å; T1208-Q1210 VanDerWaalsContact C-N 3.3Å; T1208-Q1210 PolarHBondContact O-N 2.99Å; T1208-Q1210 VanDerWaalsContact O-N 3.12Å; Q1210-E1212 PolarHBondContact O-N 3.29Å | ||
| 1211 | T | 36.7 | Very low | 52.4 | Low | 117 Ų | 117 | 102.3 Ų | 102.3 | 72% | 0.718 | 57% | 0.573 | S | S | * | * | trans | -96.3 | 75 | 166.8 | 40.3 | 0 | 0 | 0 | 0 | 111.5 | T1209 Q1213 | T1209-T1211 VanDerWaalsContact C-N 3.32Å; T1209-T1211 PolarHBondContact O-N 2.9Å; T1209-T1211 VanDerWaalsContact O-N 3.14Å; T1211-Q1213 PolarHBondContact O-N 2.94Å | ||
| 1212 | E | 34.4 | Very low | 50.1 | Low | 179.4 Ų | 179.4 | 100.4 Ų | 100.4 | 84% | 0.838 | 58% | 0.582 | S | S | * | * | trans | -87.8 | 41 | -179.2 | -61.6 | -174.2 | 171 | 0 | 0 | 114.7 | Q1210 T1214 | Q1210-E1212 PolarHBondContact O-N 3.29Å; E1212-T1214 PolarHBondContact O-N 2.82Å | ||
| 1213 | Q | 32 | Very low | 48.1 | Very low | 178.6 Ų | 178.6 | 102 Ų | 102 | 84% | 0.835 | 61% | 0.606 | S | S | * | * | trans | -110 | 92.7 | 165.9 | -71.4 | -173 | 10.4 | 0 | 0 | 110.3 | T1211 T1215 | T1211-Q1213 PolarHBondContact O-N 2.94Å; Q1213-T1215 PolarHBondContact O-N 3.13Å | ||
| 1214 | T | 29.6 | Very low | 45.8 | Very low | 137.6 Ų | 137.6 | 106.5 Ų | 106.5 | 84% | 0.844 | 64% | 0.637 | S | S | * | * | trans | -93.3 | 102.3 | 160.5 | 50 | 0 | 0 | 0 | 0 | 111 | E1212 | E1212-T1214 PolarHBondContact O-N 2.82Š| ||
| 1215 | T | 35 | Very low | 44.2 | Very low | 121.8 Ų | 121.8 | 107.7 Ų | 107.7 | 75% | 0.747 | 65% | 0.646 | S | S | * | * | trans | -103.9 | 116.8 | 163.1 | 42.3 | 0 | 0 | 0 | 0 | 111.1 | Q1213 | Q1213-T1215 PolarHBondContact O-N 3.13Š| ||
| 1216 | S | 34.4 | Very low | 43.6 | Very low | 116.6 Ų | 116.6 | 109.1 Ų | 109.1 | 82% | 0.815 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 48.3 | 97.1 | 151.4 | 59.6 | 0 | 0 | 0 | 0 | 118 | S1218 | S1216-S1218 PolarHBondContact O-N 2.91Š|
| 1217 | G | 32 | Very low | 43.5 | Very low | 87.4 Ų | 87.4 | 112.1 Ų | 112.1 | 90% | 0.901 | 67% | 0.674 | S | S | * | * | trans | 79.8 | 50.3 | 132.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1218 | S | 29 | Very low | 44 | Very low | 115.2 Ų | 115.2 | 113.6 Ų | 113.6 | 81% | 0.806 | 68% | 0.68 | S | S | * | * | trans | -139.9 | 125.9 | 151.8 | -166.3 | 0 | 0 | 0 | 0 | 110.5 | S1216 A1220 | S1216-S1218 PolarHBondContact O-N 2.91Å; S1218-A1220 PolarHBondContact O-N 3.21Å; S1218-A1220 VanDerWaalsContact O-N 3.15Å | ||
| 1219 | I | 30.9 | Very low | 44.9 | Very low | 158.4 Ų | 158.4 | 111.1 Ų | 111.1 | 81% | 0.812 | 67% | 0.672 | S | S | * | * | trans | -64.4 | 108.4 | -178.8 | -63.5 | 163 | 0 | 0 | 0 | 108.9 | K1221 | I1219-K1221 VanDerWaalsContact C-N 3.32Å; I1219-K1221 HydrophobicContact CG2-CG 4.27Å; I1219-K1221 PolarHBondContact O-N 3.18Å | ||
| 1220 | A | 29.2 | Very low | 46.6 | Very low | 94.8 Ų | 94.8 | 109.1 Ų | 109.1 | 78% | 0.783 | 66% | 0.66 | S | S | * | * | trans | -75.8 | 95.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | S1218 S1222 | S1218-A1220 PolarHBondContact O-N 3.21Å; S1218-A1220 VanDerWaalsContact O-N 3.15Å; A1220-S1222 PolarHBondContact O-N 3.1Å; A1220-S1222 VanDerWaalsContact O-N 3.08Å | ||
| 1221 | K | 30.6 | Very low | 48.5 | Very low | 198.6 Ų | 198.6 | 103 Ų | 103 | 86% | 0.863 | 63% | 0.633 | S | S | * | * | trans | -78.4 | 100.6 | 168.9 | -72.4 | -178.3 | 179 | 178.2 | 0 | 107.9 | I1219 G1223 | I1219-K1221 VanDerWaalsContact C-N 3.32Å; I1219-K1221 HydrophobicContact CG2-CG 4.27Å; I1219-K1221 PolarHBondContact O-N 3.18Å; K1221-G1223 PolarHBondContact O-N 3.26Å | ||
| 1222 | S | 36.1 | Very low | 50.9 | Low | 105.2 Ų | 105.2 | 97.6 Ų | 97.6 | 74% | 0.736 | 60% | 0.6 | S | S | * | * | trans | -33.6 | 108.2 | 160.5 | -173.2 | 0 | 0 | 0 | 0 | 111.8 | A1220 S1224 | A1220-S1222 PolarHBondContact O-N 3.1Å; A1220-S1222 VanDerWaalsContact O-N 3.08Å; S1222-S1224 PolarHBondContact O-N 2.98Å | ||
| 1223 | G | 38.9 | Very low | 53.3 | Low | 60.6 Ų | 60.6 | 89.4 Ų | 89.4 | 63% | 0.625 | 56% | 0.562 | S | S | * | * | trans | -57.5 | 104.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | K1221 H1225 | K1221-G1223 PolarHBondContact O-N 3.26Å; G1223-H1225 PolarHBondContact O-CD2 2.89Å; G1223-H1225 PolarHBondContact O-N 3.07Å | ||
| 1224 | S | 41.9 | Very low | 55.8 | Low | 93.8 Ų | 93.8 | 83 Ų | 83 | 66% | 0.656 | 53% | 0.533 | S | S | * | . | trans | -72.3 | 104.9 | 172.3 | 129.1 | 0 | 0 | 0 | 0 | 108.2 | S1222 S1226 | S1222-S1224 PolarHBondContact O-N 2.98Å; S1224-S1226 VanDerWaalsContact C-N 3.29Å; S1224-S1226 PolarHBondContact O-N 3.01Å | ||
| 1225 | H | 55.3 | Low | 58.4 | Low | 114.4 Ų | 114.4 | 78.8 Ų | 78.8 | 53% | 0.53 | 50% | 0.504 | S | S | . | . | trans | -65.1 | 92.8 | 168.8 | -72.8 | -66.3 | 0 | 0 | 0 | 109.2 | I1206 T1208 G1223 I1227 | I1206-H1225 HydrophobicContact CG2-CB 3.74Å; T1208-H1225 VanDerWaalsContact CG2-CE1 3.46Å; T1208-H1225 WeakPolarHBondContact CG2-CE1 3.46Å; T1208-H1225 WeakPolarHBondContact CG2-ND1 3.32Å; T1208-H1225 PolarHBondContact OG1-ND1 3.26Å; G1223-H1225 PolarHBondContact O-CD2 2.89Å; G1223-H1225 PolarHBondContact O-N 3.07Å; H1225-I1227 PolarHBondContact O-N 3.28Å; H1225-I1227 VanDerWaalsContact O-N 3.17Å | ||
| 1226 | S | 74.7 | Confident | 60.8 | Low | 45.4 Ų | 45.4 | 73 Ų | 73 | 32% | 0.317 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 116.3 | 178.8 | 134.9 | 0 | 0 | 0 | 0 | 109.9 | N1207 S1224 Q1228 | N1207-S1226 PolarHBondContact N-O 3.04Å; N1207-S1226 VanDerWaalsContact N-O 3.12Å; S1224-S1226 VanDerWaalsContact C-N 3.29Å; S1224-S1226 PolarHBondContact O-N 3.01Å; S1226-Q1228 PolarHBondContact O-N 3.24Å; S1226-Q1228 PolarHBondContact OG-NE2 3.33Å |
| 1227 | I | 81.1 | Confident | 63.2 | Low | 72.4 Ų | 72.4 | 69.4 Ų | 69.4 | 37% | 0.371 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 127.2 | 168.7 | -68.6 | 169.2 | 0 | 0 | 0 | 108.4 | W1204 I1206 H1225 I1314 W1321 | W1204-I1227 HydrophobicContact CB-CG2 4.48Å; W1204-I1227 HydrophobicContact CD2-CG2 4.44Å; W1204-I1227 HydrophobicContact CE3-CG2 3.65Å; W1204-I1227 HydrophobicContact CZ3-CG2 4.25Å; I1206-I1227 HydrophobicContact CG1-CG1 4.33Å; H1225-I1227 PolarHBondContact O-N 3.28Å; H1225-I1227 VanDerWaalsContact O-N 3.17Å; I1227-I1314 HydrophobicContact CD1-CD1 3.6Å; I1227-I1314 VanDerWaalsContact CD1-CD1 3.42Å; I1227-I1314 HydrophobicContact CG1-CD1 4.33Å; I1227-W1321 HydrophobicContact CB-CH2 4.44Å; I1227-W1321 HydrophobicContact CD1-CH2 4.29Å; I1227-W1321 HydrophobicContact CD1-CZ2 3.87Å; I1227-W1321 HydrophobicContact CG1-CH2 4.04Å; I1227-W1321 HydrophobicContact CG1-CZ2 4.07Å; I1227-W1321 HydrophobicContact CG2-CH2 3.82Å; I1227-W1321 HydrophobicContact CG2-CZ2 4.21Å |
| 1228 | Q | 82.4 | Confident | 65.6 | Low | 59.4 Ų | 59.4 | 70.7 Ų | 70.7 | 28% | 0.278 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139.9 | 176.4 | -61.8 | -151.9 | -35.5 | 0 | 0 | 109.8 | W1204 Y1205 N1207 S1226 | W1204-Q1228 CarbonylContact C-O 3.5Å; W1204-Q1228 WeakPolarHBondContact CA-O 3.37Å; Y1205-Q1228 HydrophobicContact CD1-CB 4.24Å; Y1205-Q1228 WeakPolarHBondContact CD1-O 3.41Å; Y1205-Q1228 HydrophobicContact CD2-CB 4.36Å; Y1205-Q1228 HydrophobicContact CE1-CB 3.77Å; Y1205-Q1228 HydrophobicContact CE2-CB 3.9Å; Y1205-Q1228 HydrophobicContact CE2-CG 4.23Å; Y1205-Q1228 HydrophobicContact CG-CB 4.44Å; Y1205-Q1228 VanDerWaalsContact CZ-CB 3.48Å; Y1205-Q1228 PolarHBondContact N-O 3.25Å; Y1205-Q1228 PolarHBondContact O-N 2.9Å; Y1205-Q1228 PolarHBondContact OH-OE1 3.25Å; Y1205-Q1228 VanDerWaalsContact OH-OE1 3.1Å; N1207-Q1228 HydrophobicContact CB-CG 4.18Å; N1207-Q1228 PolarHBondContact ND2-OE1 2.89Å; S1226-Q1228 PolarHBondContact O-N 3.24Å; S1226-Q1228 PolarHBondContact OG-NE2 3.33Å |
| 1229 | G | 82 | Confident | 68.2 | Low | 36 Ų | 36 | 66.3 Ų | 66.3 | 37% | 0.371 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 141.7 | -176.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | W1204 | W1204-G1229 VanDerWaalsContact CE3-C 3.47Å; W1204-G1229 VanDerWaalsContact CZ3-C 3.41Å; W1204-G1229 VanDerWaalsContact CZ3-O 3.24Å; W1204-G1229 WeakPolarHBondContact CZ3-O 3.36Å |
| 1230 | P | 86.7 | Confident | 70.5 | Confident | 51.4 Ų | 51.4 | 59.6 Ų | 59.6 | 33% | 0.334 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -78.2 | 142.9 | -4 | 32.7 | -31.9 | 0 | 0 | 0 | 111.5 | R1201 W1203 W1204 | R1201-P1230 HydrophobicContact CB-CB 4.13Å; R1201-P1230 HydrophobicContact CB-CG 4.2Å; R1201-P1230 WeakPolarHBondContact CD-O 3.23Å; R1201-P1230 VanDerWaalsContact O-CB 3.32Å; R1201-P1230 WeakPolarHBondContact O-CB 3.29Å; W1203-P1230 CarbonylContact O-C 3.55Å; W1203-P1230 VanDerWaalsContact O-CA 3.29Å; W1203-P1230 WeakPolarHBondContact O-CA 3.22Å; W1204-P1230 HydrophobicContact CD2-CB 4.37Å; W1204-P1230 HydrophobicContact CH2-CB 4.49Å; W1204-P1230 VanDerWaalsContact CH2-CD 3.48Å; W1204-P1230 HydrophobicContact CH2-CG 4.38Å; W1204-P1230 HydrophobicContact CZ2-CB 3.86Å; W1204-P1230 HydrophobicContact CZ2-CG 3.95Å |
| 1231 | V | 86.5 | Confident | 72.9 | Confident | 19.6 Ų | 19.6 | 61.4 Ų | 61.4 | 12% | 0.119 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 156 | 173.9 | -60.8 | 0 | 0 | 0 | 0 | 110.9 | R1201 E1202 W1203 Y1205 E1235 L1236 L1239 | R1201-V1231 WeakPolarHBondContact CA-O 3.36Å; E1202-V1231 PolarHBondContact N-O 3.11Å; E1202-V1231 VanDerWaalsContact N-O 3.11Å; W1203-V1231 HydrophobicContact CB-CG2 3.88Å; W1203-V1231 WeakPolarHBondContact CB-O 3.34Å; W1203-V1231 PolarHBondContact N-O 3.35Å; W1203-V1231 VanDerWaalsContact N-O 3.07Å; W1203-V1231 WeakPolarHBondContact O-CG2 3.34Å; W1203-V1231 PolarHBondContact O-N 3.13Å; Y1205-V1231 HydrophobicContact CD1-CG2 4.44Å; Y1205-V1231 HydrophobicContact CE1-CG1 4.3Å; Y1205-V1231 HydrophobicContact CE1-CG2 4.45Å; V1231-E1235 VanDerWaalsContact CA-OE2 3.3Å; V1231-E1235 WeakPolarHBondContact CA-OE2 3.45Å; V1231-E1235 HydrophobicContact CB-CB 3.96Å; V1231-E1235 WeakPolarHBondContact CB-OE2 3.42Å; V1231-L1236 HydrophobicContact CG2-CB 4.13Å; V1231-L1236 HydrophobicContact CG2-CD1 4.1Å; V1231-L1239 HydrophobicContact CG1-CD1 4.33Å; V1231-L1239 HydrophobicContact CG2-CD1 4.42Å |
| 1232 | S | 86.1 | Confident | 75.3 | Confident | 2.8 Ų | 2.8 | 57.4 Ų | 57.4 | 2% | 0.02 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 163.2 | 172.7 | 77.3 | 0 | 0 | 0 | 0 | 110.6 | A1197 N1198 Q1200 N1234 E1235 L1236 | A1197-S1232 WeakPolarHBondContact O-CB 3.4Å; N1198-S1232 WeakPolarHBondContact O-CB 3.34Å; Q1200-S1232 WeakPolarHBondContact O-CA 3.33Å; S1232-N1234 VanDerWaalsContact C-N 3.26Å; S1232-N1234 PolarHBondContact O-N 3.16Å; S1232-E1235 PolarHBondContact N-OE2 3.06Å; S1232-E1235 PolarHBondContact O-N 3.16Å; S1232-E1235 WeakPolarHBondContact OG-CB 3.38Å; S1232-E1235 VanDerWaalsContact OG-CG 3.27Å; S1232-E1235 WeakPolarHBondContact OG-CG 3.41Å; S1232-E1235 PolarHBondContact OG-N 3.21Å; S1232-E1235 VanDerWaalsContact OG-N 3.12Å; S1232-L1236 WeakPolarHBondContact O-CB 3.34Å; S1232-L1236 PolarHBondContact O-N 3.16Å |
| 1233 | F | 85.8 | Confident | 77.2 | Confident | 7.8 Ų | 7.8 | 54.9 Ų | 54.9 | 3% | 0.034 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.2 | -36.2 | 177.3 | -178.8 | -120.2 | 0 | 0 | 0 | 112 | L1170 A1197 W1203 L1236 Q1237 Q1329 T1333 S1578 | L1170-F1233 HydrophobicContact CD1-CE1 4.2Å; L1170-F1233 HydrophobicContact CD1-CZ 4.09Å; L1170-F1233 HydrophobicContact CD2-CD1 4.3Å; L1170-F1233 HydrophobicContact CD2-CE1 4.14Å; L1170-F1233 HydrophobicContact CD2-CZ 4.25Å; L1170-F1233 HydrophobicContact CG-CE1 4.47Å; A1197-F1233 HydrophobicContact CB-CB 4.33Å; A1197-F1233 HydrophobicContact CB-CD1 4.11Å; A1197-F1233 PolarHBondContact O-N 3.42Å; W1203-F1233 HydrophobicContact CZ2-CD2 4.35Å; W1203-F1233 AromaticContact NE1-CD2 3.91Å; F1233-L1236 HydrophobicContact CD2-CD2 4.41Å; F1233-L1236 WeakPolarHBondContact O-CB 3.36Å; F1233-L1236 PolarHBondContact O-N 3.04Å; F1233-Q1237 HydrophobicContact CD1-CG 4.47Å; F1233-Q1237 HydrophobicContact CE1-CG 4.22Å; F1233-Q1237 VanDerWaalsContact CE1-NE2 3.3Å; F1233-Q1237 HydrophobicContact CE2-CG 4.32Å; F1233-Q1237 HydrophobicContact CZ-CG 4.11Å; F1233-Q1237 VanDerWaalsContact CZ-NE2 3.32Å; F1233-Q1237 WeakPolarHBondContact O-CB 3.22Å; F1233-Q1237 VanDerWaalsContact O-CG 3.3Å; F1233-Q1237 WeakPolarHBondContact O-CG 3.43Å; F1233-Q1237 PolarHBondContact O-N 3.28Å; F1233-Q1329 HydrophobicContact CD2-CG 4.44Å; F1233-Q1329 VanDerWaalsContact CD2-NE2 3.3Å; F1233-Q1329 HydrophobicContact CE2-CG 3.83Å; F1233-Q1329 HydrophobicContact CZ-CG 3.9Å; F1233-T1333 HydrophobicContact CE1-CG2 4.26Å; F1233-T1333 HydrophobicContact CE2-CG2 4.48Å; F1233-T1333 HydrophobicContact CZ-CG2 3.98Å; F1233-T1333 WeakPolarHBondContact CZ-OG1 3.34Å; F1233-S1578 WeakPolarHBondContact CB-O 3.41Å |
| 1234 | N | 82.6 | Confident | 79 | Confident | 43.6 Ų | 43.6 | 59.2 Ų | 59.2 | 23% | 0.233 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -72.1 | -36.4 | 177 | -90.3 | -6.5 | 0 | 0 | 0 | 112.6 | A1197 N1198 S1232 L1236 Q1237 Q1238 | A1197-N1234 PolarHBondContact O-N 3.2Å; N1198-N1234 WeakPolarHBondContact OD1-CB 3.16Å; N1198-N1234 PolarHBondContact OD1-ND2 3.02Å; S1232-N1234 VanDerWaalsContact C-N 3.26Å; S1232-N1234 PolarHBondContact O-N 3.16Å; N1234-L1236 VanDerWaalsContact C-N 3.31Å; N1234-L1236 PolarHBondContact O-N 3.37Å; N1234-Q1237 WeakPolarHBondContact O-CB 3.33Å; N1234-Q1237 PolarHBondContact O-N 2.94Å; N1234-Q1237 PolarHBondContact OD1-OE1 3.15Å; N1234-Q1238 WeakPolarHBondContact O-CG 3.45Å; N1234-Q1238 PolarHBondContact O-N 2.96Å; N1234-Q1238 VanDerWaalsContact O-N 3.08Å; N1234-Q1238 PolarHBondContact OD1-NE2 3.29Å; N1234-Q1238 VanDerWaalsContact OD1-NE2 3.11Å |
| 1235 | E | 85.8 | Confident | 80.8 | Confident | 49.2 Ų | 49.2 | 55 Ų | 55 | 23% | 0.23 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 169.9 | -73.6 | 165.5 | 178.6 | 0 | 0 | 110.9 | R1201 V1231 S1232 Q1237 Q1238 L1239 | R1201-E1235 IonicContact CZ-OE1 3.16Å; R1201-E1235 VanDerWaalsContact CZ-OE1 3.27Å; R1201-E1235 IonicContact CZ-OE2 3.34Å; R1201-E1235 IonicContact NE-OE1 3.55Å; R1201-E1235 PolarHBondContact NE-OE1 3.14Å; R1201-E1235 IonicContact NE-OE2 3.14Å; R1201-E1235 PolarHBondContact NE-OE2 3.14Å; R1201-E1235 IonicContact NH2-OE1 3.16Å; R1201-E1235 PolarHBondContact NH2-OE1 3.29Å; R1201-E1235 IonicContact NH2-OE2 3.42Å; V1231-E1235 VanDerWaalsContact CA-OE2 3.3Å; V1231-E1235 WeakPolarHBondContact CA-OE2 3.45Å; V1231-E1235 HydrophobicContact CB-CB 3.96Å; V1231-E1235 WeakPolarHBondContact CB-OE2 3.42Å; S1232-E1235 PolarHBondContact N-OE2 3.06Å; S1232-E1235 PolarHBondContact O-N 3.16Å; S1232-E1235 WeakPolarHBondContact OG-CB 3.38Å; S1232-E1235 VanDerWaalsContact OG-CG 3.27Å; S1232-E1235 WeakPolarHBondContact OG-CG 3.41Å; S1232-E1235 PolarHBondContact OG-N 3.21Å; S1232-E1235 VanDerWaalsContact OG-N 3.12Å; E1235-Q1237 VanDerWaalsContact C-N 3.35Å; E1235-Q1237 PolarHBondContact O-N 3.04Å; E1235-Q1238 WeakPolarHBondContact O-CB 3.29Å; E1235-Q1238 PolarHBondContact O-N 3.04Å; E1235-Q1238 VanDerWaalsContact O-N 3.15Å; E1235-L1239 WeakPolarHBondContact O-CB 3.35Å; E1235-L1239 VanDerWaalsContact O-CG 3.28Å; E1235-L1239 WeakPolarHBondContact O-CG 3.37Å; E1235-L1239 PolarHBondContact O-N 3.27Å |
| 1236 | L | 85.3 | Confident | 81.9 | Confident | 0.2 Ų | 0.2 | 53.5 Ų | 53.5 | 0% | 0.001 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 174.4 | -170.3 | 74.2 | 0 | 0 | 0 | 111.4 | W1203 V1231 S1232 F1233 N1234 Q1238 L1239 I1240 I1245 V1251 I1330 | W1203-L1236 HydrophobicContact CB-CD1 4.28Å; W1203-L1236 HydrophobicContact CB-CD2 4.2Å; W1203-L1236 HydrophobicContact CD2-CD2 3.78Å; W1203-L1236 HydrophobicContact CE3-CD2 3.9Å; W1203-L1236 HydrophobicContact CG-CD2 3.92Å; W1203-L1236 HydrophobicContact CZ3-CD2 4.46Å; V1231-L1236 HydrophobicContact CG2-CB 4.13Å; V1231-L1236 HydrophobicContact CG2-CD1 4.1Å; S1232-L1236 WeakPolarHBondContact O-CB 3.34Å; S1232-L1236 PolarHBondContact O-N 3.16Å; F1233-L1236 HydrophobicContact CD2-CD2 4.41Å; F1233-L1236 WeakPolarHBondContact O-CB 3.36Å; F1233-L1236 PolarHBondContact O-N 3.04Å; N1234-L1236 VanDerWaalsContact C-N 3.31Å; N1234-L1236 PolarHBondContact O-N 3.37Å; L1236-Q1238 VanDerWaalsContact C-N 3.31Å; L1236-Q1238 PolarHBondContact O-N 3.29Å; L1236-L1239 PolarHBondContact O-N 3.27Å; L1236-I1240 HydrophobicContact CD1-CD1 4.33Å; L1236-I1240 HydrophobicContact CG-CD1 4.13Å; L1236-I1240 WeakPolarHBondContact O-CB 3.18Å; L1236-I1240 WeakPolarHBondContact O-CD1 3.4Å; L1236-I1240 VanDerWaalsContact O-CG1 3.24Å; L1236-I1240 WeakPolarHBondContact O-CG1 3.31Å; L1236-I1240 PolarHBondContact O-N 3.1Å; L1236-I1245 HydrophobicContact CD1-CD1 3.37Å; L1236-I1245 VanDerWaalsContact CD1-CD1 3.42Å; L1236-I1245 HydrophobicContact CG-CD1 4.33Å; L1236-V1251 HydrophobicContact CD2-CG1 4.43Å; L1236-I1330 HydrophobicContact CD2-CD1 3.86Å; L1236-I1330 HydrophobicContact CD2-CG1 4.27Å |
| 1237 | Q | 83.5 | Confident | 81.9 | Confident | 41.8 Ų | 41.8 | 55.4 Ų | 55.4 | 20% | 0.195 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.1 | -39.4 | 174.5 | -88.8 | -174.3 | -4.5 | 0 | 0 | 112.2 | F1233 N1234 E1235 I1240 K1241 T1333 L1334 I1337 | F1233-Q1237 HydrophobicContact CD1-CG 4.47Å; F1233-Q1237 HydrophobicContact CE1-CG 4.22Å; F1233-Q1237 VanDerWaalsContact CE1-NE2 3.3Å; F1233-Q1237 HydrophobicContact CE2-CG 4.32Å; F1233-Q1237 HydrophobicContact CZ-CG 4.11Å; F1233-Q1237 VanDerWaalsContact CZ-NE2 3.32Å; F1233-Q1237 WeakPolarHBondContact O-CB 3.22Å; F1233-Q1237 VanDerWaalsContact O-CG 3.3Å; F1233-Q1237 WeakPolarHBondContact O-CG 3.43Å; F1233-Q1237 PolarHBondContact O-N 3.28Å; N1234-Q1237 WeakPolarHBondContact O-CB 3.33Å; N1234-Q1237 PolarHBondContact O-N 2.94Å; N1234-Q1237 PolarHBondContact OD1-OE1 3.15Å; E1235-Q1237 VanDerWaalsContact C-N 3.35Å; E1235-Q1237 PolarHBondContact O-N 3.04Å; Q1237-I1240 PolarHBondContact O-N 3.22Å; Q1237-K1241 WeakPolarHBondContact O-CB 3.17Å; Q1237-K1241 WeakPolarHBondContact O-CD 3.35Å; Q1237-K1241 VanDerWaalsContact O-CG 3.28Å; Q1237-K1241 WeakPolarHBondContact O-CG 3.31Å; Q1237-K1241 PolarHBondContact O-N 2.89Å; Q1237-T1333 HydrophobicContact CG-CG2 3.69Å; Q1237-L1334 HydrophobicContact CB-CD1 4.48Å; Q1237-L1334 HydrophobicContact CB-CD2 3.85Å; Q1237-L1334 HydrophobicContact CG-CD1 3.96Å; Q1237-L1334 HydrophobicContact CG-CD2 3.79Å; Q1237-L1334 HydrophobicContact CG-CG 4.06Å; Q1237-I1337 HydrophobicContact CG-CD1 3.89Å |
| 1238 | Q | 82.4 | Confident | 81.8 | Confident | 113.4 Ų | 113.4 | 56.3 Ų | 56.3 | 53% | 0.53 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.7 | -46 | 175.2 | -71.9 | 173 | 11.3 | 0 | 0 | 111.4 | N1234 E1235 L1236 I1240 K1241 D1242 | N1234-Q1238 WeakPolarHBondContact O-CG 3.45Å; N1234-Q1238 PolarHBondContact O-N 2.96Å; N1234-Q1238 VanDerWaalsContact O-N 3.08Å; N1234-Q1238 PolarHBondContact OD1-NE2 3.29Å; N1234-Q1238 VanDerWaalsContact OD1-NE2 3.11Å; E1235-Q1238 WeakPolarHBondContact O-CB 3.29Å; E1235-Q1238 PolarHBondContact O-N 3.04Å; E1235-Q1238 VanDerWaalsContact O-N 3.15Å; L1236-Q1238 VanDerWaalsContact C-N 3.31Å; L1236-Q1238 PolarHBondContact O-N 3.29Å; Q1238-I1240 PolarHBondContact O-N 3.19Å; Q1238-K1241 CarbonylContact O-C 3.53Å; Q1238-K1241 WeakPolarHBondContact O-CA 3.43Å; Q1238-K1241 WeakPolarHBondContact O-CB 3.38Å; Q1238-K1241 PolarHBondContact O-N 3.04Å; Q1238-K1241 VanDerWaalsContact O-N 3.08Å; Q1238-D1242 WeakPolarHBondContact O-CB 3.41Å; Q1238-D1242 PolarHBondContact O-N 3.08Å |
| 1239 | L | 83.7 | Confident | 82 | Confident | 24.4 Ų | 24.4 | 53.8 Ų | 53.8 | 13% | 0.128 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.9 | -31.9 | 176.6 | -70.3 | 168.1 | 0 | 0 | 0 | 113 | Y1205 V1231 E1235 L1236 G1243 R1244 I1245 | Y1205-L1239 HydrophobicContact CD1-CD1 4.4Å; Y1205-L1239 HydrophobicContact CE1-CD1 3.59Å; V1231-L1239 HydrophobicContact CG1-CD1 4.33Å; V1231-L1239 HydrophobicContact CG2-CD1 4.42Å; E1235-L1239 WeakPolarHBondContact O-CB 3.35Å; E1235-L1239 VanDerWaalsContact O-CG 3.28Å; E1235-L1239 WeakPolarHBondContact O-CG 3.37Å; E1235-L1239 PolarHBondContact O-N 3.27Å; L1236-L1239 PolarHBondContact O-N 3.27Å; L1239-G1243 PolarHBondContact O-N 3.11Å; L1239-R1244 HydrophobicContact CB-CB 4.46Å; L1239-R1244 HydrophobicContact CD2-CB 4.34Å; L1239-R1244 HydrophobicContact CD2-CG 4.34Å; L1239-R1244 WeakPolarHBondContact O-CB 3.4Å; L1239-R1244 PolarHBondContact O-N 3.1Å; L1239-I1245 HydrophobicContact CB-CD1 3.78Å; L1239-I1245 HydrophobicContact CB-CG1 4.16Å; L1239-I1245 HydrophobicContact CD1-CD1 4.27Å; L1239-I1245 PolarHBondContact O-N 3.12Å |
| 1240 | I | 80.8 | Confident | 82.2 | Confident | 17.6 Ų | 17.6 | 54.5 Ų | 54.5 | 9% | 0.09 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.8 | -46.6 | 172.3 | -71.5 | 165.3 | 0 | 0 | 0 | 110.8 | L1236 Q1237 Q1238 D1242 G1243 I1245 I1330 L1334 I1337 | L1236-I1240 HydrophobicContact CD1-CD1 4.33Å; L1236-I1240 HydrophobicContact CG-CD1 4.13Å; L1236-I1240 WeakPolarHBondContact O-CB 3.18Å; L1236-I1240 WeakPolarHBondContact O-CD1 3.4Å; L1236-I1240 VanDerWaalsContact O-CG1 3.24Å; L1236-I1240 WeakPolarHBondContact O-CG1 3.31Å; L1236-I1240 PolarHBondContact O-N 3.1Å; Q1237-I1240 PolarHBondContact O-N 3.22Å; Q1238-I1240 PolarHBondContact O-N 3.19Å; I1240-D1242 VanDerWaalsContact C-N 3.27Å; I1240-D1242 PolarHBondContact O-N 3.02Å; I1240-G1243 WeakPolarHBondContact O-CA 3.2Å; I1240-G1243 PolarHBondContact O-N 3.21Å; I1240-I1245 HydrophobicContact CD1-CG2 4.25Å; I1240-I1245 HydrophobicContact CG1-CB 3.74Å; I1240-I1245 HydrophobicContact CG1-CD1 4.29Å; I1240-I1245 HydrophobicContact CG1-CG1 4.45Å; I1240-I1245 HydrophobicContact CG1-CG2 3.81Å; I1240-I1330 HydrophobicContact CD1-CG2 3.88Å; I1240-L1334 HydrophobicContact CB-CD1 4.33Å; I1240-L1334 HydrophobicContact CB-CD2 4.06Å; I1240-L1334 HydrophobicContact CD1-CD1 3.45Å; I1240-L1334 VanDerWaalsContact CD1-CD1 3.41Å; I1240-L1334 HydrophobicContact CG1-CD1 4.46Å; I1240-L1334 HydrophobicContact CG2-CD1 3.82Å; I1240-L1334 HydrophobicContact CG2-CD2 3.69Å; I1240-L1334 HydrophobicContact CG2-CG 4.25Å; I1240-I1337 HydrophobicContact CB-CD1 4.35Å; I1240-I1337 HydrophobicContact CD1-CD1 3.82Å; I1240-I1337 HydrophobicContact CG1-CD1 4.2Å; I1240-I1337 HydrophobicContact CG2-CB 4.49Å; I1240-I1337 HydrophobicContact CG2-CD1 3.73Å; I1240-I1337 HydrophobicContact CG2-CG1 3.31Å |
| 1241 | K | 79.6 | Confident | 82.2 | Confident | 131.6 Ų | 131.6 | 52 Ų | 52 | 57% | 0.572 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.8 | -36.1 | 176.1 | -74 | 170.3 | -178.6 | 175.8 | 0 | 112.3 | Q1237 Q1238 G1243 L1334 I1337 | Q1237-K1241 WeakPolarHBondContact O-CB 3.17Å; Q1237-K1241 WeakPolarHBondContact O-CD 3.35Å; Q1237-K1241 VanDerWaalsContact O-CG 3.28Å; Q1237-K1241 WeakPolarHBondContact O-CG 3.31Å; Q1237-K1241 PolarHBondContact O-N 2.89Å; Q1238-K1241 CarbonylContact O-C 3.53Å; Q1238-K1241 WeakPolarHBondContact O-CA 3.43Å; Q1238-K1241 WeakPolarHBondContact O-CB 3.38Å; Q1238-K1241 PolarHBondContact O-N 3.04Å; Q1238-K1241 VanDerWaalsContact O-N 3.08Å; K1241-G1243 PolarHBondContact O-N 2.92Å; K1241-L1334 HydrophobicContact CG-CD2 4.32Å; K1241-I1337 HydrophobicContact CD-CD1 4.45Å; K1241-I1337 HydrophobicContact CG-CD1 3.97Å; K1241-I1337 HydrophobicContact CG-CG2 4.21Å |
| 1242 | D | 80.1 | Confident | 82.3 | Confident | 114.2 Ų | 114.2 | 54.7 Ų | 54.7 | 61% | 0.611 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -4.9 | 175 | -68.4 | -9.7 | 0 | 0 | 0 | 113 | Q1238 I1240 R1244 | Q1238-D1242 WeakPolarHBondContact O-CB 3.41Å; Q1238-D1242 PolarHBondContact O-N 3.08Å; I1240-D1242 VanDerWaalsContact C-N 3.27Å; I1240-D1242 PolarHBondContact O-N 3.02Å; D1242-R1244 VanDerWaalsContact C-N 3.27Å; D1242-R1244 HydrophobicContact CB-CG 4.31Å; D1242-R1244 PolarHBondContact O-N 3.28Å; D1242-R1244 IonicContact OD2-NE 3.39Å; D1242-R1244 IonicContact OD2-NH2 3.03Å |
| 1243 | G | 75.1 | Confident | 82.4 | Confident | 53.8 Ų | 53.8 | 54.6 Ų | 54.6 | 56% | 0.555 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 11.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | L1239 I1240 K1241 I1245 | L1239-G1243 PolarHBondContact O-N 3.11Å; I1240-G1243 WeakPolarHBondContact O-CA 3.2Å; I1240-G1243 PolarHBondContact O-N 3.21Å; K1241-G1243 PolarHBondContact O-N 2.92Å; G1243-I1245 VanDerWaalsContact C-N 3.33Å |
| 1244 | R | 77.5 | Confident | 82.4 | Confident | 150.4 Ų | 150.4 | 58.2 Ų | 58.2 | 57% | 0.568 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -72.9 | -28.9 | 176 | -61.8 | -148 | -162.6 | -161.1 | 2.5 | 112.5 | L1239 D1242 | L1239-R1244 HydrophobicContact CB-CB 4.46Å; L1239-R1244 HydrophobicContact CD2-CB 4.34Å; L1239-R1244 HydrophobicContact CD2-CG 4.34Å; L1239-R1244 WeakPolarHBondContact O-CB 3.4Å; L1239-R1244 PolarHBondContact O-N 3.1Å; D1242-R1244 VanDerWaalsContact C-N 3.27Å; D1242-R1244 HydrophobicContact CB-CG 4.31Å; D1242-R1244 PolarHBondContact O-N 3.28Å; D1242-R1244 IonicContact OD2-NE 3.39Å; D1242-R1244 IonicContact OD2-NH2 3.03Å |
| 1245 | I | 79.2 | Confident | 82.4 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -113.7 | 119.1 | 178 | -61.5 | 177.9 | 0 | 0 | 0 | 107.6 | Y1205 L1236 L1239 I1240 G1243 T1249 V1251 A1324 | Y1205-I1245 HydrophobicContact CD1-CD1 4.03Å; Y1205-I1245 HydrophobicContact CD2-CD1 4.04Å; Y1205-I1245 HydrophobicContact CD2-CG1 4.03Å; Y1205-I1245 HydrophobicContact CE1-CD1 4.33Å; Y1205-I1245 HydrophobicContact CE2-CD1 4.36Å; Y1205-I1245 HydrophobicContact CE2-CG1 4.27Å; Y1205-I1245 HydrophobicContact CG-CD1 3.83Å; Y1205-I1245 HydrophobicContact CG-CG1 4.3Å; L1236-I1245 HydrophobicContact CD1-CD1 3.37Å; L1236-I1245 VanDerWaalsContact CD1-CD1 3.42Å; L1236-I1245 HydrophobicContact CG-CD1 4.33Å; L1239-I1245 HydrophobicContact CB-CD1 3.78Å; L1239-I1245 HydrophobicContact CB-CG1 4.16Å; L1239-I1245 HydrophobicContact CD1-CD1 4.27Å; L1239-I1245 PolarHBondContact O-N 3.12Å; I1240-I1245 HydrophobicContact CD1-CG2 4.25Å; I1240-I1245 HydrophobicContact CG1-CB 3.74Å; I1240-I1245 HydrophobicContact CG1-CD1 4.29Å; I1240-I1245 HydrophobicContact CG1-CG1 4.45Å; I1240-I1245 HydrophobicContact CG1-CG2 3.81Å; G1243-I1245 VanDerWaalsContact C-N 3.33Å; I1245-T1249 HydrophobicContact CG1-CG2 4.44Å; I1245-T1249 HydrophobicContact CG2-CG2 4.02Å; I1245-V1251 HydrophobicContact CG2-CG2 4.42Å; I1245-A1324 HydrophobicContact CG2-CB 4.42Å |
| 1246 | N | 78.7 | Confident | 82.3 | Confident | 84.4 Ų | 84.4 | 55.9 Ų | 55.9 | 45% | 0.451 | 29% | 0.287 | S | S | . | . | trans | -105.6 | 173.2 | 178.5 | 32.1 | 18.5 | 0 | 0 | 0 | 110.7 | T1248 T1249 A1324 | N1246-T1248 PolarHBondContact ND2-OG1 2.87Å; N1246-T1248 PolarHBondContact O-N 2.83Å; N1246-T1248 VanDerWaalsContact O-N 3.09Å; N1246-T1248 WeakPolarHBondContact OD1-CA 3.28Å; N1246-T1248 PolarHBondContact OD1-N 3.16Å; N1246-T1248 PolarHBondContact OD1-OG1 3.03Å; N1246-T1249 WeakPolarHBondContact CA-OG1 3.19Å; N1246-T1249 PolarHBondContact N-OG1 2.95Å; N1246-T1249 VanDerWaalsContact O-CB 3.28Å; N1246-T1249 WeakPolarHBondContact O-CB 3.3Å; N1246-T1249 PolarHBondContact O-N 3.2Å; N1246-T1249 VanDerWaalsContact O-N 3.11Å; N1246-T1249 PolarHBondContact O-OG1 2.87Å; N1246-T1249 PolarHBondContact OD1-N 3.35Å; N1246-T1249 PolarHBondContact OD1-OG1 3.16Å; N1246-A1324 WeakPolarHBondContact O-CB 3.4Å | ||
| 1247 | N | 75.9 | Confident | 81.9 | Confident | 84.4 Ų | 84.4 | 57.2 Ų | 57.2 | 45% | 0.451 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -26 | 179.5 | -74.4 | -16.8 | 0 | 0 | 0 | 114.6 | K1325 L1334 I1337 | N1247-K1325 HydrophobicContact CB-CB 4.07Å; N1247-K1325 HydrophobicContact CB-CD 4.45Å; N1247-K1325 VanDerWaalsContact O-CB 3.31Å; N1247-K1325 WeakPolarHBondContact O-CB 3.38Å; N1247-K1325 WeakPolarHBondContact O-CD 3.44Å; N1247-K1325 WeakPolarHBondContact O-CG 3.37Å; N1247-K1325 PolarHBondContact O-N 3.1Å; N1247-K1325 VanDerWaalsContact O-N 3.14Å; N1247-L1334 WeakPolarHBondContact OD1-CD1 3.5Å; N1247-L1334 VanDerWaalsContact OD1-CD2 3.31Å; N1247-L1334 WeakPolarHBondContact OD1-CD2 3.34Å; N1247-I1337 PolarHBondContact ND2-O 2.92Å; N1247-I1337 WeakPolarHBondContact OD1-CG2 3.27Å; N1247-I1337 PolarHBondContact OD1-O 3.2Å |
| 1248 | T | 78.6 | Confident | 81.5 | Confident | 91 Ų | 91 | 56.3 Ų | 56.3 | 56% | 0.558 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -11.6 | -179.5 | 52.7 | 0 | 0 | 0 | 0 | 113.9 | N1246 K1250 | N1246-T1248 PolarHBondContact ND2-OG1 2.87Å; N1246-T1248 PolarHBondContact O-N 2.83Å; N1246-T1248 VanDerWaalsContact O-N 3.09Å; N1246-T1248 WeakPolarHBondContact OD1-CA 3.28Å; N1246-T1248 PolarHBondContact OD1-N 3.16Å; N1246-T1248 PolarHBondContact OD1-OG1 3.03Å; T1248-K1250 PolarHBondContact O-N 3.19Å |
| 1249 | T | 85.4 | Confident | 81.3 | Confident | 7.2 Ų | 7.2 | 54.3 Ų | 54.3 | 4% | 0.044 | 29% | 0.29 | C | S | . | . | trans | -61.5 | 129.8 | 179.7 | -56.4 | 0 | 0 | 0 | 0 | 110.3 | Y1205 I1206 I1245 N1246 V1251 P1323 A1324 | Y1205-T1249 HydrophobicContact CD2-CG2 4.47Å; I1206-T1249 VanDerWaalsContact O-CG2 3.26Å; I1206-T1249 WeakPolarHBondContact O-CG2 3.39Å; I1245-T1249 HydrophobicContact CG1-CG2 4.44Å; I1245-T1249 HydrophobicContact CG2-CG2 4.02Å; N1246-T1249 WeakPolarHBondContact CA-OG1 3.19Å; N1246-T1249 PolarHBondContact N-OG1 2.95Å; N1246-T1249 VanDerWaalsContact O-CB 3.28Å; N1246-T1249 WeakPolarHBondContact O-CB 3.3Å; N1246-T1249 PolarHBondContact O-N 3.2Å; N1246-T1249 VanDerWaalsContact O-N 3.11Å; N1246-T1249 PolarHBondContact O-OG1 2.87Å; N1246-T1249 PolarHBondContact OD1-N 3.35Å; N1246-T1249 PolarHBondContact OD1-OG1 3.16Å; T1249-V1251 HydrophobicContact CG2-CG2 4.35Å; T1249-P1323 CarbonylContact O-C 3.42Å; T1249-P1323 WeakPolarHBondContact O-CA 3.38Å; T1249-A1324 PolarHBondContact O-N 3.17Å | ||
| 1250 | K | 86 | Confident | 80.7 | Confident | 49.8 Ų | 49.8 | 55.2 Ų | 55.2 | 22% | 0.217 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 128.2 | 177.2 | -67.1 | -178.9 | -178.2 | 173.9 | 0 | 109.8 | Y1205 I1206 T1248 D1275 E1278 C1316 W1321 M1322 | Y1205-K1250 WeakPolarHBondContact CA-O 3.42Å; I1206-K1250 HydrophobicContact CB-CB 4.44Å; I1206-K1250 HydrophobicContact CD1-CB 4.05Å; I1206-K1250 HydrophobicContact CD1-CD 4.39Å; I1206-K1250 HydrophobicContact CG1-CB 4.38Å; I1206-K1250 PolarHBondContact N-O 3.05Å; T1248-K1250 PolarHBondContact O-N 3.19Å; K1250-D1275 WeakPolarHBondContact CE-OD1 3.3Å; K1250-D1275 WeakPolarHBondContact CE-OD2 3.35Å; K1250-D1275 IonicContact NZ-OD1 3.77Å; K1250-D1275 PolarHBondContact NZ-OD1 2.92Å; K1250-D1275 IonicContact NZ-OD2 3.38Å; K1250-D1275 PolarHBondContact NZ-OD2 3.06Å; K1250-E1278 IonicContact NZ-OE2 3Å; K1250-E1278 PolarHBondContact NZ-OE2 2.69Å; K1250-C1316 HydrophobicContact CD-CB 4.03Å; K1250-W1321 HydrophobicContact CB-CE3 4.34Å; K1250-M1322 CarbonylContact C-O 3.59Å; K1250-M1322 WeakPolarHBondContact CA-O 3.37Å |
| 1251 | V | 88 | Confident | 80.6 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 146.5 | -176.4 | 178.8 | 0 | 0 | 0 | 0 | 109.1 | W1203 W1204 L1236 I1245 T1249 W1321 M1322 A1324 I1327 I1330 | W1203-V1251 HydrophobicContact CE3-CG1 3.55Å; W1203-V1251 VanDerWaalsContact CE3-CG1 3.5Å; W1203-V1251 HydrophobicContact CZ3-CG1 3.91Å; W1204-V1251 CarbonylContact O-C 3.56Å; W1204-V1251 VanDerWaalsContact O-CA 3.26Å; W1204-V1251 WeakPolarHBondContact O-CA 3.39Å; W1204-V1251 WeakPolarHBondContact O-CG1 3.31Å; L1236-V1251 HydrophobicContact CD2-CG1 4.43Å; I1245-V1251 HydrophobicContact CG2-CG2 4.42Å; T1249-V1251 HydrophobicContact CG2-CG2 4.35Å; V1251-W1321 WeakPolarHBondContact O-CA 3.44Å; V1251-M1322 PolarHBondContact N-O 3.25Å; V1251-M1322 PolarHBondContact O-N 3.06Å; V1251-A1324 HydrophobicContact CG2-CB 4.23Å; V1251-I1327 HydrophobicContact CB-CD1 3.76Å; V1251-I1327 HydrophobicContact CG1-CD1 3.94Å; V1251-I1330 HydrophobicContact CB-CD1 4.4Å; V1251-I1330 HydrophobicContact CG1-CD1 4.01Å; V1251-I1330 HydrophobicContact CG2-CD1 4.42Å |
| 1252 | Y | 88.7 | Confident | 80.4 | Confident | 76.8 Ų | 76.8 | 49 Ų | 49 | 30% | 0.301 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 142.1 | 178.7 | 170.6 | -97 | 0 | 0 | 0 | 111.5 | W1204 Y1319 W1321 | W1204-Y1252 HydrophobicContact CB-CD1 4.4Å; W1204-Y1252 AromaticContact CD1-CD1 3.83Å; W1204-Y1252 HydrophobicContact CG-CD1 4.32Å; W1204-Y1252 PolarHBondContact N-O 3.09Å; W1204-Y1252 PolarHBondContact O-N 3.08Å; Y1252-Y1319 VanDerWaalsContact CD2-O 3.27Å; Y1252-Y1319 WeakPolarHBondContact CD2-O 3.39Å; Y1252-Y1319 WeakPolarHBondContact CE2-O 3.33Å; Y1252-W1321 VanDerWaalsContact CB-CD2 3.49Å; Y1252-W1321 VanDerWaalsContact CB-CE3 3.49Å; Y1252-W1321 HydrophobicContact CG-CD2 4.4Å; Y1252-W1321 HydrophobicContact CG-CZ2 4.45Å |
| 1253 | A | 87.6 | Confident | 79.7 | Confident | 0.2 Ų | 0.2 | 48.8 Ų | 48.8 | 0% | 0.002 | 26% | 0.26 | C | S | . | . | trans | -153.5 | 158.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | W1203 G1255 L1256 | W1203-A1253 HydrophobicContact CD2-CB 3.95Å; W1203-A1253 HydrophobicContact CE3-CB 3.63Å; W1203-A1253 HydrophobicContact CH2-CB 4.07Å; W1203-A1253 HydrophobicContact CZ2-CB 4.36Å; W1203-A1253 HydrophobicContact CZ3-CB 3.7Å; A1253-G1255 PolarHBondContact O-N 2.98Å; A1253-L1256 HydrophobicContact CB-CD1 4.01Å; A1253-L1256 HydrophobicContact CB-CG 4.19Å; A1253-L1256 VanDerWaalsContact N-CD1 3.32Å; A1253-L1256 WeakPolarHBondContact O-CB 3.3Å; A1253-L1256 WeakPolarHBondContact O-CG 3.39Å; A1253-L1256 PolarHBondContact O-N 3.32Å | ||
| 1254 | Q | 85.4 | Confident | 79 | Confident | 84 Ų | 84 | 48.3 Ų | 48.3 | 39% | 0.393 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 135.3 | -179.9 | -174 | -176.6 | 6 | 0 | 0 | 111.3 | L1256 R1575 N1579 R1581 | Q1254-L1256 VanDerWaalsContact C-N 3.29Å; Q1254-L1256 PolarHBondContact O-N 3.01Å; Q1254-R1575 VanDerWaalsContact OE1-CZ 3.26Å; Q1254-N1579 PolarHBondContact O-ND2 3.11Å; Q1254-R1581 CarbonylContact O-C 3.48Å; Q1254-R1581 VanDerWaalsContact O-O 3.1Å |
| 1255 | G | 82.4 | Confident | 78 | Confident | 21.4 Ų | 21.4 | 47.9 Ų | 47.9 | 22% | 0.221 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A1253 D1257 R1581 | A1253-G1255 PolarHBondContact O-N 2.98Å; G1255-D1257 PolarHBondContact O-N 3.37Å; G1255-R1581 WeakPolarHBondContact CA-O 3.27Å; G1255-R1581 WeakPolarHBondContact O-CG 3.47Å |
| 1256 | L | 84 | Confident | 76.6 | Confident | 21.6 Ų | 21.6 | 50 Ų | 50 | 11% | 0.113 | 28% | 0.279 | C | S | . | . | trans | -66.7 | 131 | 165 | -66 | -175.1 | 0 | 0 | 0 | 110.2 | W1203 A1253 Q1254 M1322 I1327 R1581 | W1203-L1256 HydrophobicContact CZ3-CD1 4.12Å; A1253-L1256 HydrophobicContact CB-CD1 4.01Å; A1253-L1256 HydrophobicContact CB-CG 4.19Å; A1253-L1256 VanDerWaalsContact N-CD1 3.32Å; A1253-L1256 WeakPolarHBondContact O-CB 3.3Å; A1253-L1256 WeakPolarHBondContact O-CG 3.39Å; A1253-L1256 PolarHBondContact O-N 3.32Å; Q1254-L1256 VanDerWaalsContact C-N 3.29Å; Q1254-L1256 PolarHBondContact O-N 3.01Å; L1256-M1322 HydrophobicContact CB-CE 3.75Å; L1256-M1322 HydrophobicContact CB-SD 3.77Å; L1256-M1322 HydrophobicContact CD1-CE 4.25Å; L1256-M1322 HydrophobicContact CD1-CG 4.06Å; L1256-M1322 HydrophobicContact CD1-SD 3.91Å; L1256-M1322 HydrophobicContact CD2-CE 3.99Å; L1256-M1322 HydrophobicContact CD2-SD 3.98Å; L1256-M1322 HydrophobicContact CG-CE 4.24Å; L1256-M1322 HydrophobicContact CG-SD 4.1Å; L1256-I1327 HydrophobicContact CD1-CD1 3.83Å; L1256-I1327 HydrophobicContact CD1-CG1 4.25Å; L1256-I1327 HydrophobicContact CD2-CG1 4.42Å; L1256-I1327 HydrophobicContact CD2-CG2 4.22Å; L1256-R1581 HydrophobicContact CD2-CB 4.38Å; L1256-R1581 HydrophobicContact CD2-CG 4.39Å | ||
| 1257 | D | 78.1 | Confident | 75.1 | Confident | 28.4 Ų | 28.4 | 55.4 Ų | 55.4 | 15% | 0.152 | 30% | 0.295 | C | S | . | . | trans | -104.5 | 107.1 | 179.2 | -179 | 2.1 | 0 | 0 | 0 | 109.8 | R1159 G1255 T1259 M1322 N1429 | R1159-D1257 IonicContact CZ-OD2 3.28Å; R1159-D1257 VanDerWaalsContact NH1-CG 3.3Å; R1159-D1257 IonicContact NH1-OD1 3.46Å; R1159-D1257 IonicContact NH1-OD2 3.7Å; R1159-D1257 PolarHBondContact NH1-OD2 2.95Å; G1255-D1257 PolarHBondContact O-N 3.37Å; D1257-T1259 VanDerWaalsContact C-N 3.3Å; D1257-T1259 PolarHBondContact O-N 3.09Å; D1257-T1259 VanDerWaalsContact OD1-CB 3.29Å; D1257-T1259 WeakPolarHBondContact OD1-CB 3.45Å; D1257-T1259 VanDerWaalsContact OD1-CG2 3.27Å; D1257-T1259 WeakPolarHBondContact OD1-CG2 3.37Å; D1257-T1259 PolarHBondContact OD1-N 3.04Å; D1257-T1259 PolarHBondContact OD1-OG1 3.17Å; D1257-T1259 PolarHBondContact OD2-OG1 3Å; D1257-T1259 VanDerWaalsContact OD2-OG1 3.12Å; D1257-M1322 WeakPolarHBondContact O-CE 3.33Å; D1257-N1429 PolarHBondContact OD2-ND2 3.07Å; D1257-N1429 VanDerWaalsContact OD2-ND2 3.15Å | ||
| 1258 | A | 74.8 | Confident | 73.6 | Confident | 22.4 Ų | 22.4 | 55.7 Ų | 55.7 | 19% | 0.185 | 30% | 0.296 | C | S | . | . | trans | -77.6 | -8.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G1317 M1322 R1326 | A1258-G1317 WeakPolarHBondContact CB-O 3.49Å; A1258-M1322 HydrophobicContact CB-CG 4.06Å; A1258-R1326 PolarHBondContact O-NH1 3.28Å | ||
| 1259 | T | 77.6 | Confident | 72.1 | Confident | 72.4 Ų | 72.4 | 52.8 Ų | 52.8 | 44% | 0.444 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -61.3 | 132.7 | -176.8 | 60 | 0 | 0 | 0 | 0 | 110.9 | R1159 D1257 R1261 R1326 | R1159-T1259 PolarHBondContact NH1-O 3.14Å; R1159-T1259 PolarHBondContact NH1-OG1 2.98Å; D1257-T1259 VanDerWaalsContact C-N 3.3Å; D1257-T1259 PolarHBondContact O-N 3.09Å; D1257-T1259 VanDerWaalsContact OD1-CB 3.29Å; D1257-T1259 WeakPolarHBondContact OD1-CB 3.45Å; D1257-T1259 VanDerWaalsContact OD1-CG2 3.27Å; D1257-T1259 WeakPolarHBondContact OD1-CG2 3.37Å; D1257-T1259 PolarHBondContact OD1-N 3.04Å; D1257-T1259 PolarHBondContact OD1-OG1 3.17Å; D1257-T1259 PolarHBondContact OD2-OG1 3Å; D1257-T1259 VanDerWaalsContact OD2-OG1 3.12Å; T1259-R1261 PolarHBondContact O-N 2.97Å; T1259-R1326 PolarHBondContact O-NH2 3.17Å |
| 1260 | P | 71.8 | Confident | 70.2 | Confident | 42.4 Ų | 42.4 | 59.7 Ų | 59.7 | 28% | 0.275 | 31% | 0.312 | S | S | . | . | trans | -54.6 | 140.7 | 178.6 | -19.6 | 24.3 | 0 | 0 | 0 | 112.1 | R1159 L1268 A1269 D1272 | R1159-P1260 PolarHBondContact NH2-O 3.13Å; P1260-L1268 HydrophobicContact CB-CD2 3.61Å; P1260-L1268 HydrophobicContact CG-CD2 3.94Å; P1260-A1269 HydrophobicContact CB-CB 3.58Å; P1260-A1269 HydrophobicContact CG-CB 4.43Å; P1260-D1272 HydrophobicContact CB-CB 4.38Å; P1260-D1272 WeakPolarHBondContact CB-OD2 3.28Å; P1260-D1272 HydrophobicContact CG-CB 3.72Å | ||
| 1261 | R | 78.5 | Confident | 68.3 | Low | 15.8 Ų | 15.8 | 61.3 Ų | 61.3 | 6% | 0.06 | 32% | 0.323 | C | S | . | . | trans | -135.3 | 159.3 | -177.4 | 74.9 | 175.3 | 178.3 | -157.3 | 11 | 112.8 | D1124 D1156 D1163 T1259 R1263 | D1124-R1261 VanDerWaalsContact CG-NE 3.28Å; D1124-R1261 IonicContact OD1-CZ 3.49Å; D1124-R1261 VanDerWaalsContact OD1-CZ 3.31Å; D1124-R1261 IonicContact OD1-NE 2.98Å; D1124-R1261 PolarHBondContact OD1-NE 3.21Å; D1124-R1261 VanDerWaalsContact OD1-NE 3.16Å; D1124-R1261 IonicContact OD1-NH2 3.47Å; D1124-R1261 PolarHBondContact OD1-NH2 3.11Å; D1124-R1261 IonicContact OD2-CZ 3.34Å; D1124-R1261 IonicContact OD2-NE 3.32Å; D1124-R1261 PolarHBondContact OD2-NE 3.12Å; D1124-R1261 IonicContact OD2-NH2 3.31Å; D1156-R1261 WeakPolarHBondContact OD2-CB 3.35Å; D1163-R1261 IonicContact OD2-CZ 3.49Å; D1163-R1261 IonicContact OD2-NH1 3.17Å; D1163-R1261 PolarHBondContact OD2-NH1 3.24Å; D1163-R1261 IonicContact OD2-NH2 3.16Å; D1163-R1261 PolarHBondContact OD2-NH2 3.1Å; T1259-R1261 PolarHBondContact O-N 2.97Å; R1261-R1263 PolarHBondContact O-N 3.15Å | ||
| 1262 | C | 75.2 | Confident | 66.3 | Low | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.02 | 34% | 0.335 | C | S | . | . | trans | 53 | 67.3 | 173.2 | -52.1 | 0 | 0 | 0 | 0 | 113.2 | T1120 Y1121 A1155 V1160 P1264 | T1120-C1262 HydrophobicContact CG2-CB 4.37Å; Y1121-C1262 WeakPolarHBondContact CB-O 3.41Å; Y1121-C1262 HydrophobicContact CD2-CB 4.27Å; Y1121-C1262 VanDerWaalsContact CD2-O 3.32Å; Y1121-C1262 WeakPolarHBondContact CD2-O 3.28Å; A1155-C1262 WeakPolarHBondContact O-CA 3.4Å; A1155-C1262 PolarHBondContact O-SG 3.18Å; A1155-C1262 VanDerWaalsContact O-SG 3.33Å; V1160-C1262 WeakPolarHBondContact CG2-SG 3.37Å; C1262-P1264 VanDerWaalsContact O-CD 3.25Å; C1262-P1264 WeakPolarHBondContact O-CD 3.35Å | ||
| 1263 | R | 65.3 | Low | 64 | Low | 110.2 Ų | 110.2 | 64.6 Ų | 64.6 | 42% | 0.416 | 34% | 0.341 | S | S | . | . | trans | -84.1 | 129.6 | 176.3 | -71.7 | -173.1 | 176.4 | 174 | -0.7 | 110.9 | R1261 D1265 G1266 Y1267 A1269 D1271 D1272 | R1261-R1263 PolarHBondContact O-N 3.15Å; R1263-D1265 VanDerWaalsContact C-N 3.26Å; R1263-D1265 PolarHBondContact O-N 2.89Å; R1263-G1266 PolarHBondContact O-N 3.17Å; R1263-Y1267 WeakPolarHBondContact CB-O 3.32Å; R1263-Y1267 VanDerWaalsContact CD-O 3.25Å; R1263-Y1267 WeakPolarHBondContact CD-O 3.38Å; R1263-Y1267 VanDerWaalsContact CG-O 3.3Å; R1263-Y1267 WeakPolarHBondContact CG-O 3.43Å; R1263-A1269 HydrophobicContact CG-CB 3.99Å; R1263-A1269 VanDerWaalsContact CZ-CA 3.43Å; R1263-A1269 PolarHBondContact NH1-O 3.13Å; R1263-A1269 PolarHBondContact NH2-O 3.16Å; R1263-D1271 IonicContact CZ-OD2 2.81Å; R1263-D1271 IonicContact NE-OD2 2.83Å; R1263-D1271 IonicContact NH1-OD2 3.81Å; R1263-D1271 PolarHBondContact NH1-OD2 2.82Å; R1263-D1271 VanDerWaalsContact NH2-C 3.3Å; R1263-D1271 IonicContact NH2-OD1 3.33Å; R1263-D1271 PolarHBondContact NH2-OD1 3.47Å; R1263-D1271 VanDerWaalsContact NH2-OD1 3.16Å; R1263-D1271 IonicContact NH2-OD2 3.41Å; R1263-D1271 PolarHBondContact NH2-OD2 3.43Å; R1263-D1272 IonicContact CZ-OD1 3.87Å; R1263-D1272 IonicContact NE-OD1 2.69Å; R1263-D1272 PolarHBondContact NE-OD1 3.32Å; R1263-D1272 IonicContact NH2-OD1 2.7Å; R1263-D1272 PolarHBondContact NH2-OD1 2.67Å | ||
| 1264 | P | 59.6 | Low | 61.8 | Low | 44.4 Ų | 44.4 | 69.3 Ų | 69.3 | 29% | 0.288 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -28.9 | 171.7 | -19.2 | 32.5 | 0 | 0 | 0 | 111.4 | L1118 Y1121 C1262 G1266 Y1267 | L1118-P1264 HydrophobicContact CD1-CB 4.22Å; Y1121-P1264 HydrophobicContact CD1-CG 3.81Å; Y1121-P1264 HydrophobicContact CD2-CG 4.36Å; Y1121-P1264 HydrophobicContact CE1-CG 3.91Å; Y1121-P1264 HydrophobicContact CE2-CG 4.19Å; Y1121-P1264 HydrophobicContact CG-CG 4.14Å; C1262-P1264 VanDerWaalsContact O-CD 3.25Å; C1262-P1264 WeakPolarHBondContact O-CD 3.35Å; P1264-G1266 VanDerWaalsContact C-N 3.31Å; P1264-G1266 PolarHBondContact O-N 3.11Å; P1264-Y1267 PolarHBondContact O-N 3.09Å; P1264-Y1267 VanDerWaalsContact O-N 3.1Å |
| 1265 | D | 57.7 | Low | 59.8 | Low | 141.2 Ų | 141.2 | 69.1 Ų | 69.1 | 76% | 0.755 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 41.6 | -177.7 | -64.4 | -41.5 | 0 | 0 | 0 | 114.1 | R1263 Y1267 | R1263-D1265 VanDerWaalsContact C-N 3.26Å; R1263-D1265 PolarHBondContact O-N 2.89Å; D1265-Y1267 VanDerWaalsContact C-N 3.31Å; D1265-Y1267 VanDerWaalsContact O-CD2 3.24Å; D1265-Y1267 WeakPolarHBondContact O-CD2 3.36Å; D1265-Y1267 PolarHBondContact O-N 2.97Å |
| 1266 | G | 49.1 | Very low | 57.7 | Low | 50 Ų | 50 | 71.6 Ų | 71.6 | 52% | 0.515 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 80 | -0.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R1263 P1264 | R1263-G1266 PolarHBondContact O-N 3.17Å; P1264-G1266 VanDerWaalsContact C-N 3.31Å; P1264-G1266 PolarHBondContact O-N 3.11Å |
| 1267 | Y | 48.1 | Very low | 55.3 | Low | 197.4 Ų | 197.4 | 77.4 Ų | 77.4 | 77% | 0.774 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -87.4 | 121.9 | 174.6 | -72.3 | -89 | 0 | 0 | 0 | 112 | R1263 P1264 D1265 A1269 | R1263-Y1267 WeakPolarHBondContact CB-O 3.32Å; R1263-Y1267 VanDerWaalsContact CD-O 3.25Å; R1263-Y1267 WeakPolarHBondContact CD-O 3.38Å; R1263-Y1267 VanDerWaalsContact CG-O 3.3Å; R1263-Y1267 WeakPolarHBondContact CG-O 3.43Å; P1264-Y1267 PolarHBondContact O-N 3.09Å; P1264-Y1267 VanDerWaalsContact O-N 3.1Å; D1265-Y1267 VanDerWaalsContact C-N 3.31Å; D1265-Y1267 VanDerWaalsContact O-CD2 3.24Å; D1265-Y1267 WeakPolarHBondContact O-CD2 3.36Å; D1265-Y1267 PolarHBondContact O-N 2.97Å; Y1267-A1269 PolarHBondContact O-N 2.88Å; Y1267-A1269 VanDerWaalsContact O-N 3.08Å |
| 1268 | L | 44.2 | Very low | 53.4 | Low | 90.4 Ų | 90.4 | 82.3 Ų | 82.3 | 47% | 0.473 | 42% | 0.421 | S | S | . | . | trans | -59.7 | 120.9 | 167.1 | -65.2 | 169.1 | 0 | 0 | 0 | 109 | P1260 E1270 D1272 F1273 I1276 | P1260-L1268 HydrophobicContact CB-CD2 3.61Å; P1260-L1268 HydrophobicContact CG-CD2 3.94Å; L1268-E1270 PolarHBondContact O-N 3.2Å; L1268-D1272 HydrophobicContact CB-CB 4.06Å; L1268-D1272 HydrophobicContact CD2-CB 3.9Å; L1268-D1272 HydrophobicContact CG-CB 4.45Å; L1268-F1273 HydrophobicContact CB-CD2 3.75Å; L1268-F1273 HydrophobicContact CB-CE2 3.58Å; L1268-F1273 HydrophobicContact CB-CG 4.46Å; L1268-F1273 HydrophobicContact CB-CZ 4.14Å; L1268-F1273 HydrophobicContact CD1-CD2 4.1Å; L1268-F1273 HydrophobicContact CD1-CE1 4.37Å; L1268-F1273 HydrophobicContact CD1-CE2 3.92Å; L1268-F1273 HydrophobicContact CD1-CZ 4.35Å; L1268-F1273 HydrophobicContact CD2-CD2 4.01Å; L1268-F1273 HydrophobicContact CD2-CE2 3.68Å; L1268-F1273 HydrophobicContact CG-CD2 4.48Å; L1268-F1273 WeakPolarHBondContact O-CD2 3.28Å; L1268-F1273 WeakPolarHBondContact O-CE2 3.48Å; L1268-I1276 HydrophobicContact CD1-CD1 3.84Å | ||
| 1269 | A | 46.1 | Very low | 51.6 | Low | 29.4 Ų | 29.4 | 85.4 Ų | 85.4 | 24% | 0.243 | 43% | 0.434 | C | S | . | . | trans | -69.6 | 136.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y1121 P1260 R1263 Y1267 D1271 D1272 F1273 | Y1121-A1269 HydrophobicContact CE2-CB 4.18Å; P1260-A1269 HydrophobicContact CB-CB 3.58Å; P1260-A1269 HydrophobicContact CG-CB 4.43Å; R1263-A1269 HydrophobicContact CG-CB 3.99Å; R1263-A1269 VanDerWaalsContact CZ-CA 3.43Å; R1263-A1269 PolarHBondContact NH1-O 3.13Å; R1263-A1269 PolarHBondContact NH2-O 3.16Å; Y1267-A1269 PolarHBondContact O-N 2.88Å; Y1267-A1269 VanDerWaalsContact O-N 3.08Å; A1269-D1271 WeakPolarHBondContact CB-OD2 3.48Å; A1269-D1271 PolarHBondContact O-N 3.28Å; A1269-D1271 VanDerWaalsContact O-N 3.1Å; A1269-D1272 WeakPolarHBondContact O-CA 3.27Å; A1269-D1272 WeakPolarHBondContact O-CB 3.37Å; A1269-D1272 PolarHBondContact O-N 3.08Å; A1269-D1272 VanDerWaalsContact O-N 3.13Å; A1269-F1273 PolarHBondContact O-N 3.21Å | ||
| 1270 | E | 45.1 | Very low | 49.4 | Very low | 152 Ų | 152 | 86.9 Ų | 86.9 | 71% | 0.71 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -68.8 | -19.1 | -177.1 | -68.2 | -174.6 | 160.8 | 0 | 0 | 113.1 | L1268 D1272 F1273 I1274 | L1268-E1270 PolarHBondContact O-N 3.2Å; E1270-D1272 VanDerWaalsContact C-N 3.29Å; E1270-D1272 PolarHBondContact O-N 3.09Å; E1270-D1272 VanDerWaalsContact O-N 3.17Å; E1270-F1273 WeakPolarHBondContact O-CA 3.45Å; E1270-F1273 WeakPolarHBondContact O-CB 3.4Å; E1270-F1273 VanDerWaalsContact O-CD2 3.28Å; E1270-F1273 WeakPolarHBondContact O-CD2 3.34Å; E1270-F1273 PolarHBondContact O-N 3.29Å; E1270-I1274 PolarHBondContact O-N 2.91Å |
| 1271 | D | 46.2 | Very low | 47.5 | Very low | 84.4 Ų | 84.4 | 91 Ų | 91 | 45% | 0.451 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -59 | -24.3 | 179.3 | -71.7 | -4.9 | 0 | 0 | 0 | 114.1 | R1263 A1269 F1273 I1274 K1325 | R1263-D1271 IonicContact CZ-OD2 2.81Å; R1263-D1271 IonicContact NE-OD2 2.83Å; R1263-D1271 IonicContact NH1-OD2 3.81Å; R1263-D1271 PolarHBondContact NH1-OD2 2.82Å; R1263-D1271 VanDerWaalsContact NH2-C 3.3Å; R1263-D1271 IonicContact NH2-OD1 3.33Å; R1263-D1271 PolarHBondContact NH2-OD1 3.47Å; R1263-D1271 VanDerWaalsContact NH2-OD1 3.16Å; R1263-D1271 IonicContact NH2-OD2 3.41Å; R1263-D1271 PolarHBondContact NH2-OD2 3.43Å; A1269-D1271 WeakPolarHBondContact CB-OD2 3.48Å; A1269-D1271 PolarHBondContact O-N 3.28Å; A1269-D1271 VanDerWaalsContact O-N 3.1Å; D1271-F1273 PolarHBondContact O-N 3.07Å; D1271-F1273 VanDerWaalsContact O-N 3.14Å; D1271-I1274 HydrophobicContact CB-CD1 3.9Å; D1271-I1274 HydrophobicContact CB-CG1 4.33Å; D1271-I1274 VanDerWaalsContact O-CB 3.27Å; D1271-I1274 WeakPolarHBondContact O-CB 3.45Å; D1271-I1274 VanDerWaalsContact O-CG1 3.28Å; D1271-I1274 WeakPolarHBondContact O-CG1 3.4Å; D1271-I1274 PolarHBondContact O-N 3.13Å; D1271-K1325 IonicContact OD1-NZ 3.59Å; D1271-K1325 IonicContact OD2-NZ 3.25Å; D1271-K1325 PolarHBondContact OD2-NZ 3.33Å |
| 1272 | D | 46.2 | Very low | 45.3 | Very low | 45.4 Ų | 45.4 | 98 Ų | 98 | 24% | 0.243 | 49% | 0.491 | C | S | . | . | G | 310 helix | trans | -77.2 | -15.4 | 175.5 | -72.7 | -10.5 | 0 | 0 | 0 | 112.3 | P1260 R1263 L1268 A1269 E1270 I1274 R1326 | P1260-D1272 HydrophobicContact CB-CB 4.38Å; P1260-D1272 WeakPolarHBondContact CB-OD2 3.28Å; P1260-D1272 HydrophobicContact CG-CB 3.72Å; R1263-D1272 IonicContact CZ-OD1 3.87Å; R1263-D1272 IonicContact NE-OD1 2.69Å; R1263-D1272 PolarHBondContact NE-OD1 3.32Å; R1263-D1272 IonicContact NH2-OD1 2.7Å; R1263-D1272 PolarHBondContact NH2-OD1 2.67Å; L1268-D1272 HydrophobicContact CB-CB 4.06Å; L1268-D1272 HydrophobicContact CD2-CB 3.9Å; L1268-D1272 HydrophobicContact CG-CB 4.45Å; A1269-D1272 WeakPolarHBondContact O-CA 3.27Å; A1269-D1272 WeakPolarHBondContact O-CB 3.37Å; A1269-D1272 PolarHBondContact O-N 3.08Å; A1269-D1272 VanDerWaalsContact O-N 3.13Å; E1270-D1272 VanDerWaalsContact C-N 3.29Å; E1270-D1272 PolarHBondContact O-N 3.09Å; E1270-D1272 VanDerWaalsContact O-N 3.17Å; D1272-I1274 VanDerWaalsContact C-N 3.28Å; D1272-R1326 IonicContact OD1-CZ 2.77Å; D1272-R1326 IonicContact OD1-NH1 2.99Å; D1272-R1326 PolarHBondContact OD1-NH1 3.47Å; D1272-R1326 IonicContact OD1-NH2 3.31Å; D1272-R1326 PolarHBondContact OD1-NH2 3.24Å; D1272-R1326 IonicContact OD2-CZ 3.49Å; D1272-R1326 IonicContact OD2-NH1 2.79Å; D1272-R1326 PolarHBondContact OD2-NH1 2.9Å; D1272-R1326 IonicContact OD2-NH2 3.28Å |
| 1273 | F | 41 | Very low | 43.1 | Very low | 99.6 Ų | 99.6 | 105.9 Ų | 105.9 | 44% | 0.437 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -90.8 | -13.7 | 177 | -85.4 | -90 | 0 | 0 | 0 | 114.5 | L1268 A1269 E1270 D1271 D1275 I1276 K1277 | L1268-F1273 HydrophobicContact CB-CD2 3.75Å; L1268-F1273 HydrophobicContact CB-CE2 3.58Å; L1268-F1273 HydrophobicContact CB-CG 4.46Å; L1268-F1273 HydrophobicContact CB-CZ 4.14Å; L1268-F1273 HydrophobicContact CD1-CD2 4.1Å; L1268-F1273 HydrophobicContact CD1-CE1 4.37Å; L1268-F1273 HydrophobicContact CD1-CE2 3.92Å; L1268-F1273 HydrophobicContact CD1-CZ 4.35Å; L1268-F1273 HydrophobicContact CD2-CD2 4.01Å; L1268-F1273 HydrophobicContact CD2-CE2 3.68Å; L1268-F1273 HydrophobicContact CG-CD2 4.48Å; L1268-F1273 WeakPolarHBondContact O-CD2 3.28Å; L1268-F1273 WeakPolarHBondContact O-CE2 3.48Å; A1269-F1273 PolarHBondContact O-N 3.21Å; E1270-F1273 WeakPolarHBondContact O-CA 3.45Å; E1270-F1273 WeakPolarHBondContact O-CB 3.4Å; E1270-F1273 VanDerWaalsContact O-CD2 3.28Å; E1270-F1273 WeakPolarHBondContact O-CD2 3.34Å; E1270-F1273 PolarHBondContact O-N 3.29Å; D1271-F1273 PolarHBondContact O-N 3.07Å; D1271-F1273 VanDerWaalsContact O-N 3.14Å; F1273-D1275 VanDerWaalsContact C-N 3.3Å; F1273-D1275 PolarHBondContact O-N 2.97Å; F1273-D1275 VanDerWaalsContact O-N 3.11Å; F1273-I1276 HydrophobicContact CB-CD1 4.33Å; F1273-I1276 HydrophobicContact CD1-CB 4.42Å; F1273-I1276 HydrophobicContact CD1-CD1 4.1Å; F1273-I1276 HydrophobicContact CE1-CD1 4.25Å; F1273-I1276 HydrophobicContact CG-CD1 4.4Å; F1273-I1276 CarbonylContact O-C 3.5Å; F1273-I1276 WeakPolarHBondContact O-CA 3.46Å; F1273-I1276 VanDerWaalsContact O-CB 3.3Å; F1273-I1276 WeakPolarHBondContact O-CB 3.24Å; F1273-I1276 PolarHBondContact O-N 2.99Å; F1273-K1277 PolarHBondContact O-N 2.77Å |
| 1274 | I | 42.1 | Very low | 41.3 | Very low | 99.6 Ų | 99.6 | 107.3 Ų | 107.3 | 51% | 0.511 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.5 | -31.8 | 179 | -66.9 | 174 | 0 | 0 | 0 | 111 | E1270 D1271 D1272 I1276 K1277 E1278 | E1270-I1274 PolarHBondContact O-N 2.91Å; D1271-I1274 HydrophobicContact CB-CD1 3.9Å; D1271-I1274 HydrophobicContact CB-CG1 4.33Å; D1271-I1274 VanDerWaalsContact O-CB 3.27Å; D1271-I1274 WeakPolarHBondContact O-CB 3.45Å; D1271-I1274 VanDerWaalsContact O-CG1 3.28Å; D1271-I1274 WeakPolarHBondContact O-CG1 3.4Å; D1271-I1274 PolarHBondContact O-N 3.13Å; D1272-I1274 VanDerWaalsContact C-N 3.28Å; I1274-I1276 VanDerWaalsContact C-N 3.33Å; I1274-I1276 PolarHBondContact O-N 3.06Å; I1274-K1277 PolarHBondContact O-N 3.08Å; I1274-E1278 PolarHBondContact O-N 3.09Å; I1274-E1278 VanDerWaalsContact O-N 3.17Å |
| 1275 | D | 42.4 | Very low | 39.8 | Very low | 79 Ų | 79 | 114.9 Ų | 114.9 | 42% | 0.422 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -75 | -15 | 176.8 | -87.7 | -5.9 | 0 | 0 | 0 | 114.7 | K1250 F1273 | K1250-D1275 WeakPolarHBondContact CE-OD1 3.3Å; K1250-D1275 WeakPolarHBondContact CE-OD2 3.35Å; K1250-D1275 IonicContact NZ-OD1 3.77Å; K1250-D1275 PolarHBondContact NZ-OD1 2.92Å; K1250-D1275 IonicContact NZ-OD2 3.38Å; K1250-D1275 PolarHBondContact NZ-OD2 3.06Å; F1273-D1275 VanDerWaalsContact C-N 3.3Å; F1273-D1275 PolarHBondContact O-N 2.97Å; F1273-D1275 VanDerWaalsContact O-N 3.11Å |
| 1276 | I | 37.8 | Very low | 38.4 | Very low | 75 Ų | 75 | 112.9 Ų | 112.9 | 39% | 0.385 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -92.9 | -27.3 | 177.8 | -55.1 | 175.3 | 0 | 0 | 0 | 111.3 | L1268 F1273 I1274 E1278 D1279 N1280 | L1268-I1276 HydrophobicContact CD1-CD1 3.84Å; F1273-I1276 HydrophobicContact CB-CD1 4.33Å; F1273-I1276 HydrophobicContact CD1-CB 4.42Å; F1273-I1276 HydrophobicContact CD1-CD1 4.1Å; F1273-I1276 HydrophobicContact CE1-CD1 4.25Å; F1273-I1276 HydrophobicContact CG-CD1 4.4Å; F1273-I1276 CarbonylContact O-C 3.5Å; F1273-I1276 WeakPolarHBondContact O-CA 3.46Å; F1273-I1276 VanDerWaalsContact O-CB 3.3Å; F1273-I1276 WeakPolarHBondContact O-CB 3.24Å; F1273-I1276 PolarHBondContact O-N 2.99Å; I1274-I1276 VanDerWaalsContact C-N 3.33Å; I1274-I1276 PolarHBondContact O-N 3.06Å; I1276-E1278 PolarHBondContact O-N 3.37Å; I1276-D1279 PolarHBondContact O-N 3.01Å; I1276-N1280 PolarHBondContact O-N 3.07Å; I1276-N1280 PolarHBondContact O-ND2 3.36Å |
| 1277 | K | 34.8 | Very low | 37.5 | Very low | 142 Ų | 142 | 115.6 Ų | 115.6 | 62% | 0.617 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -78.3 | -28.2 | -179.1 | -81.1 | -174.1 | 177.6 | 174.1 | 0 | 113.8 | F1273 I1274 D1279 N1280 N1281 | F1273-K1277 PolarHBondContact O-N 2.77Å; I1274-K1277 PolarHBondContact O-N 3.08Å; K1277-D1279 VanDerWaalsContact C-N 3.27Å; K1277-D1279 PolarHBondContact O-N 3.05Å; K1277-N1280 PolarHBondContact O-N 3.01Å; K1277-N1280 VanDerWaalsContact O-N 3.13Å; K1277-N1281 PolarHBondContact O-N 3.09Å |
| 1278 | E | 37.7 | Very low | 36.4 | Very low | 133.2 Ų | 133.2 | 114 Ų | 114 | 62% | 0.622 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.5 | -30.6 | 177.5 | -80.7 | -146.9 | 148.1 | 0 | 0 | 112.9 | K1250 I1274 I1276 K1282 | K1250-E1278 IonicContact NZ-OE2 3Å; K1250-E1278 PolarHBondContact NZ-OE2 2.69Å; I1274-E1278 PolarHBondContact O-N 3.09Å; I1274-E1278 VanDerWaalsContact O-N 3.17Å; I1276-E1278 PolarHBondContact O-N 3.37Å; E1278-K1282 PolarHBondContact O-NZ 3.09Å; E1278-K1282 IonicContact OE2-NZ 3.16Å; E1278-K1282 PolarHBondContact OE2-NZ 3.22Å |
| 1279 | D | 36.3 | Very low | 35.7 | Very low | 85.6 Ų | 85.6 | 118.5 Ų | 118.5 | 46% | 0.458 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -81.4 | -36.5 | 177.8 | -74.7 | -23.4 | 0 | 0 | 0 | 112.8 | I1276 K1277 N1281 K1282 | I1276-D1279 PolarHBondContact O-N 3.01Å; K1277-D1279 VanDerWaalsContact C-N 3.27Å; K1277-D1279 PolarHBondContact O-N 3.05Å; D1279-N1281 VanDerWaalsContact C-N 3.34Å; D1279-N1281 PolarHBondContact O-N 3.02Å; D1279-K1282 PolarHBondContact O-N 3.46Å |
| 1280 | N | 32.7 | Very low | 34.8 | Very low | 104.8 Ų | 104.8 | 122.1 Ų | 122.1 | 56% | 0.56 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -75 | -29.9 | -178.6 | -78.7 | -23.1 | 0 | 0 | 0 | 113.8 | I1276 K1277 K1282 F1283 | I1276-N1280 PolarHBondContact O-N 3.07Å; I1276-N1280 PolarHBondContact O-ND2 3.36Å; K1277-N1280 PolarHBondContact O-N 3.01Å; K1277-N1280 VanDerWaalsContact O-N 3.13Å; N1280-K1282 VanDerWaalsContact C-N 3.27Å; N1280-K1282 PolarHBondContact O-N 3.29Å; N1280-K1282 VanDerWaalsContact O-N 3.1Å; N1280-F1283 WeakPolarHBondContact O-CB 3.4Å; N1280-F1283 PolarHBondContact O-N 3.07Å; N1280-F1283 VanDerWaalsContact O-N 3.13Å |
| 1281 | N | 32.4 | Very low | 33.9 | Very low | 127.8 Ų | 127.8 | 123.5 Ų | 123.5 | 68% | 0.683 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -8.6 | -179 | -92.1 | -13.4 | 0 | 0 | 0 | 114.4 | K1277 D1279 F1283 | K1277-N1281 PolarHBondContact O-N 3.09Å; D1279-N1281 VanDerWaalsContact C-N 3.34Å; D1279-N1281 PolarHBondContact O-N 3.02Å; N1281-F1283 VanDerWaalsContact C-N 3.34Å; N1281-F1283 PolarHBondContact O-N 3.49Å |
| 1282 | K | 30.7 | Very low | 32.9 | Very low | 164.6 Ų | 164.6 | 128.2 Ų | 128.2 | 72% | 0.716 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -13.5 | 171.6 | -74.9 | 179.5 | -178.3 | 156 | 0 | 113.7 | E1278 D1279 N1280 | E1278-K1282 PolarHBondContact O-NZ 3.09Å; E1278-K1282 IonicContact OE2-NZ 3.16Å; E1278-K1282 PolarHBondContact OE2-NZ 3.22Å; D1279-K1282 PolarHBondContact O-N 3.46Å; N1280-K1282 VanDerWaalsContact C-N 3.27Å; N1280-K1282 PolarHBondContact O-N 3.29Å; N1280-K1282 VanDerWaalsContact O-N 3.1Å |
| 1283 | F | 29.5 | Very low | 32 | Very low | 168.6 Ų | 168.6 | 133.8 Ų | 133.8 | 74% | 0.739 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -24.5 | -179.8 | -110.3 | -88 | 0 | 0 | 0 | 114.8 | N1280 N1281 K1285 | N1280-F1283 WeakPolarHBondContact O-CB 3.4Å; N1280-F1283 PolarHBondContact O-N 3.07Å; N1280-F1283 VanDerWaalsContact O-N 3.13Å; N1281-F1283 VanDerWaalsContact C-N 3.34Å; N1281-F1283 PolarHBondContact O-N 3.49Å; F1283-K1285 VanDerWaalsContact C-N 3.28Å; F1283-K1285 PolarHBondContact O-N 3.17Å |
| 1284 | N | 28.1 | Very low | 31.2 | Very low | 139.6 Ų | 139.6 | 137.5 Ų | 137.5 | 75% | 0.747 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 27.8 | -171.3 | -81.7 | -8.2 | 0 | 0 | 0 | 115.9 | ||
| 1285 | K | 27.2 | Very low | 30.5 | Very low | 203.8 Ų | 203.8 | 139.9 Ų | 139.9 | 89% | 0.886 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | 22.7 | 173.1 | -82.8 | -169.3 | 177.2 | -179.6 | 0 | 115.1 | F1283 | F1283-K1285 VanDerWaalsContact C-N 3.28Å; F1283-K1285 PolarHBondContact O-N 3.17Å |
| 1286 | S | 29.3 | Very low | 29.9 | Very low | 99 Ų | 99 | 143 Ų | 143 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -147.5 | 86.9 | 171.7 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1287 | S | 29 | Very low | 29.2 | Very low | 105.6 Ų | 105.6 | 146.6 Ų | 146.6 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | trans | 177.6 | 79 | 144.5 | 47.6 | 0 | 0 | 0 | 0 | 111.8 | Q1289 | S1287-Q1289 VanDerWaalsContact C-N 3.28Å; S1287-Q1289 PolarHBondContact O-N 3.26Å; S1287-Q1289 VanDerWaalsContact O-N 3.14Å | ||
| 1288 | N | 25.6 | Very low | 28.8 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 88% | 0.882 | 76% | 0.757 | S | S | * | * | trans | -89 | 99 | 155.9 | -85.8 | -16.2 | 0 | 0 | 0 | 108.6 | ||||
| 1289 | Q | 29.2 | Very low | 28.3 | Very low | 185 Ų | 185 | 147.6 Ų | 147.6 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | -163 | 121 | 147.9 | -101.7 | 169.9 | 31.4 | 0 | 0 | 110.4 | S1287 Q1291 | S1287-Q1289 VanDerWaalsContact C-N 3.28Å; S1287-Q1289 PolarHBondContact O-N 3.26Å; S1287-Q1289 VanDerWaalsContact O-N 3.14Å; Q1289-Q1291 PolarHBondContact O-N 2.9Å | ||
| 1290 | S | 26.7 | Very low | 27.9 | Very low | 104.2 Ų | 104.2 | 151.7 Ų | 151.7 | 73% | 0.729 | 78% | 0.783 | S | S | * | * | trans | 24.2 | 110 | 158.8 | 48.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1291 | Q | 27.6 | Very low | 27.5 | Very low | 182 Ų | 182 | 154.6 Ų | 154.6 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | 112.7 | 105.5 | 131.3 | -84.4 | 172.5 | -10.1 | 0 | 0 | 115.2 | Q1289 N1293 | Q1289-Q1291 PolarHBondContact O-N 2.9Å; Q1291-N1293 PolarHBondContact O-N 3.33Å | ||
| 1292 | E | 23.6 | Very low | 27.1 | Very low | 183.2 Ų | 183.2 | 153.9 Ų | 153.9 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -16.1 | 118.5 | 142 | -63.7 | 172.4 | 156.1 | 0 | 0 | 113.7 | ||||
| 1293 | N | 28 | Very low | 26.9 | Very low | 162.8 Ų | 162.8 | 153.6 Ų | 153.6 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | trans | -146.2 | 115.9 | 147 | -100.8 | -32.5 | 0 | 0 | 0 | 109.6 | Q1291 L1295 | Q1291-N1293 PolarHBondContact O-N 3.33Å; N1293-L1295 PolarHBondContact O-N 3.29Å | ||
| 1294 | H | 25 | Very low | 26.6 | Very low | 177 Ų | 177 | 152.8 Ų | 152.8 | 82% | 0.819 | 81% | 0.807 | S | S | * | * | trans | -67 | 144 | 168.1 | -95.4 | -85.8 | 0 | 0 | 0 | 110.8 | ||||
| 1295 | L | 27.5 | Very low | 26.5 | Very low | 150.2 Ų | 150.2 | 153.9 Ų | 153.9 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | trans | 147.1 | 125.2 | 147.9 | -81.4 | 135 | 0 | 0 | 0 | 114.1 | N1293 | N1293-L1295 PolarHBondContact O-N 3.29Š| ||
| 1296 | N | 28.3 | Very low | 26.4 | Very low | 143 Ų | 143 | 150.2 Ų | 150.2 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | trans | 77.7 | 122.4 | 147.2 | -65.9 | -16.4 | 0 | 0 | 0 | 117.1 | E1298 | N1296-E1298 PolarHBondContact O-N 3.27Š| ||
| 1297 | N | 24 | Very low | 26.3 | Very low | 152.6 Ų | 152.6 | 153.8 Ų | 153.8 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | trans | -34.9 | 132.1 | 134.9 | -77.4 | -15.2 | 0 | 0 | 0 | 111.4 | ||||
| 1298 | E | 27.2 | Very low | 26.1 | Very low | 173.2 Ų | 173.2 | 157.2 Ų | 157.2 | 81% | 0.809 | 81% | 0.812 | S | S | * | * | trans | 159.3 | 131 | 138.8 | -91.5 | 167.3 | -155.8 | 0 | 0 | 112.6 | N1296 | N1296-E1298 PolarHBondContact O-N 3.27Š| ||
| 1299 | T | 27.1 | Very low | 26 | Very low | 122.8 Ų | 122.8 | 158.2 Ų | 158.2 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | 61.4 | 95.9 | 154.5 | 27.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 1300 | I | 27 | Very low | 25.9 | Very low | 170.2 Ų | 170.2 | 155.8 Ų | 155.8 | 87% | 0.873 | 81% | 0.807 | S | S | * | * | trans | -113.6 | 102.5 | 149.9 | -68.7 | 171.3 | 0 | 0 | 0 | 107.2 | ||||
| 1301 | E | 24.1 | Very low | 26 | Very low | 167 Ų | 167 | 160 Ų | 160 | 78% | 0.78 | 82% | 0.815 | S | S | * | * | trans | -106.6 | 142.2 | 165.7 | -73 | -174.9 | 151.6 | 0 | 0 | 109.7 | ||||
| 1302 | S | 24.8 | Very low | 26.1 | Very low | 113.4 Ų | 113.4 | 159.6 Ų | 159.6 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | trans | 60.7 | 100.3 | 163.1 | 65.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1303 | L | 25.8 | Very low | 26.5 | Very low | 156.6 Ų | 156.6 | 156.5 Ų | 156.5 | 82% | 0.82 | 80% | 0.804 | S | S | * | * | trans | -137.5 | 119 | 148.8 | -110.8 | 121.3 | 0 | 0 | 0 | 109.3 | H1305 | L1303-H1305 WeakPolarHBondContact CD2-NE2 3.48Å; L1303-H1305 PolarHBondContact O-N 3.15Å | ||
| 1304 | D | 23.6 | Very low | 26.8 | Very low | 152 Ų | 152 | 153.1 Ų | 153.1 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -63.1 | 125.4 | 176.5 | -98.5 | -37.1 | 0 | 0 | 0 | 111.8 | T1306 | D1304-T1306 VanDerWaalsContact C-N 3.34Å; D1304-T1306 PolarHBondContact O-N 3.25Å; D1304-T1306 VanDerWaalsContact O-N 3.12Å | ||
| 1305 | H | 25.6 | Very low | 27.4 | Very low | 162.8 Ų | 162.8 | 146.9 Ų | 146.9 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | -98.3 | 84.3 | 172 | -73.5 | -58.6 | 0 | 0 | 0 | 111.4 | L1303 E1307 | L1303-H1305 WeakPolarHBondContact CD2-NE2 3.48Å; L1303-H1305 PolarHBondContact O-N 3.15Å; H1305-E1307 VanDerWaalsContact C-N 3.27Å; H1305-E1307 HydrophobicContact CB-CG 4.29Å; H1305-E1307 PolarHBondContact O-N 3.39Å | ||
| 1306 | T | 25.7 | Very low | 28.2 | Very low | 126.2 Ų | 126.2 | 140.9 Ų | 140.9 | 77% | 0.774 | 73% | 0.734 | S | S | * | * | trans | -95.1 | 62.1 | 156.9 | 41.5 | 0 | 0 | 0 | 0 | 111.1 | D1304 Q1308 | D1304-T1306 VanDerWaalsContact C-N 3.34Å; D1304-T1306 PolarHBondContact O-N 3.25Å; D1304-T1306 VanDerWaalsContact O-N 3.12Å; T1306-Q1308 VanDerWaalsContact C-N 3.33Å; T1306-Q1308 PolarHBondContact O-N 3.14Å | ||
| 1307 | E | 26.1 | Very low | 29.1 | Very low | 174 Ų | 174 | 136.4 Ų | 136.4 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | trans | -73.1 | 98.4 | 171.9 | -74.1 | -165.3 | 159.4 | 0 | 0 | 110 | H1305 M1309 | H1305-E1307 VanDerWaalsContact C-N 3.27Å; H1305-E1307 HydrophobicContact CB-CG 4.29Å; H1305-E1307 PolarHBondContact O-N 3.39Å; E1307-M1309 PolarHBondContact O-N 3.23Å; E1307-M1309 VanDerWaalsContact O-N 3.08Å | ||
| 1308 | Q | 25.3 | Very low | 30.1 | Very low | 178.4 Ų | 178.4 | 136.6 Ų | 136.6 | 83% | 0.834 | 72% | 0.72 | S | S | * | * | trans | -49.9 | 115.9 | 157.7 | -68.9 | 171.5 | -4.2 | 0 | 0 | 107.9 | T1306 N1310 | T1306-Q1308 VanDerWaalsContact C-N 3.33Å; T1306-Q1308 PolarHBondContact O-N 3.14Å; Q1308-N1310 VanDerWaalsContact C-N 3.32Å; Q1308-N1310 PolarHBondContact O-N 3.15Å | ||
| 1309 | M | 24.5 | Very low | 31.7 | Very low | 184.8 Ų | 184.8 | 135.1 Ų | 135.1 | 91% | 0.91 | 71% | 0.708 | S | S | * | * | trans | -58.9 | 90.1 | 176.9 | -76.1 | -170.2 | 167.9 | 0 | 0 | 110.2 | E1307 E1311 | E1307-M1309 PolarHBondContact O-N 3.23Å; E1307-M1309 VanDerWaalsContact O-N 3.08Å; M1309-E1311 PolarHBondContact O-N 3.25Å | ||
| 1310 | N | 26.7 | Very low | 33.8 | Very low | 134.6 Ų | 134.6 | 129.9 Ų | 129.9 | 72% | 0.72 | 68% | 0.678 | S | S | * | * | trans | -70 | 125.2 | 172.4 | -131 | -16.5 | 0 | 0 | 0 | 108 | Q1308 K1312 | Q1308-N1310 VanDerWaalsContact C-N 3.32Å; Q1308-N1310 PolarHBondContact O-N 3.15Å; N1310-K1312 PolarHBondContact O-N 3.22Å | ||
| 1311 | E | 28.2 | Very low | 36.5 | Very low | 193 Ų | 193 | 123.1 Ų | 123.1 | 90% | 0.902 | 64% | 0.642 | S | S | * | * | trans | -62.3 | 46.3 | -168 | -63.9 | 177.9 | 134.1 | 0 | 0 | 116 | M1309 T1313 | M1309-E1311 PolarHBondContact O-N 3.25Å; E1311-T1313 PolarHBondContact O-N 3.32Å | ||
| 1312 | K | 30.5 | Very low | 39.3 | Very low | 174 Ų | 174 | 115.7 Ų | 115.7 | 76% | 0.757 | 61% | 0.607 | S | S | * | * | trans | -100.9 | 107.6 | -179.2 | -72.4 | 178.5 | 179.5 | 173 | 0 | 110.7 | N1310 I1314 | N1310-K1312 PolarHBondContact O-N 3.22Å; K1312-I1314 PolarHBondContact O-N 3.21Å; K1312-I1314 VanDerWaalsContact O-N 3.11Å | ||
| 1313 | T | 30.5 | Very low | 42.1 | Very low | 117.2 Ų | 117.2 | 111.7 Ų | 111.7 | 72% | 0.719 | 58% | 0.579 | S | S | * | * | trans | 32.7 | 89.4 | 158 | -22.8 | 0 | 0 | 0 | 0 | 114.6 | E1311 A1315 | E1311-T1313 PolarHBondContact O-N 3.32Å; T1313-A1315 PolarHBondContact O-N 3.23Å | ||
| 1314 | I | 35.5 | Very low | 44.9 | Very low | 92.8 Ų | 92.8 | 104.3 Ų | 104.3 | 48% | 0.476 | 54% | 0.54 | S | S | . | . | trans | -75.7 | 115.1 | -178.1 | -60.1 | 171.8 | 0 | 0 | 0 | 109.7 | I1227 K1312 C1316 Y1319 | I1227-I1314 HydrophobicContact CD1-CD1 3.6Å; I1227-I1314 VanDerWaalsContact CD1-CD1 3.42Å; I1227-I1314 HydrophobicContact CG1-CD1 4.33Å; K1312-I1314 PolarHBondContact O-N 3.21Å; K1312-I1314 VanDerWaalsContact O-N 3.11Å; I1314-C1316 VanDerWaalsContact C-N 3.34Å; I1314-C1316 PolarHBondContact O-N 3.19Å; I1314-C1316 PolarHBondContact O-SG 3.15Å; I1314-C1316 VanDerWaalsContact O-SG 3.37Å; I1314-Y1319 HydrophobicContact CG2-CD2 3.85Å; I1314-Y1319 HydrophobicContact CG2-CE2 3.88Å; I1314-Y1319 HydrophobicContact CG2-CG 4.46Å | ||
| 1315 | A | 37.7 | Very low | 47.7 | Very low | 45.6 Ų | 45.6 | 101.2 Ų | 101.2 | 38% | 0.377 | 52% | 0.519 | S | S | . | . | trans | -63.2 | 89.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | T1313 G1317 M1318 Y1319 | T1313-A1315 PolarHBondContact O-N 3.23Å; A1315-G1317 VanDerWaalsContact C-N 3.27Å; A1315-G1317 PolarHBondContact O-N 3.14Å; A1315-G1317 VanDerWaalsContact O-N 3.1Å; A1315-M1318 PolarHBondContact O-N 3.24Å; A1315-Y1319 HydrophobicContact CB-CE2 4.46Å; A1315-Y1319 WeakPolarHBondContact O-CD2 3.32Å | ||
| 1316 | C | 43.7 | Very low | 50.4 | Low | 24.2 Ų | 24.2 | 94.4 Ų | 94.4 | 16% | 0.164 | 49% | 0.487 | C | S | . | . | G | 310 helix | trans | -54.3 | -30.4 | -169.4 | -72.5 | 0 | 0 | 0 | 0 | 114.5 | I1206 K1250 I1314 M1318 Y1319 W1321 | I1206-C1316 HydrophobicContact CD1-CB 4.49Å; I1206-C1316 VanDerWaalsContact CD1-SG 3.56Å; I1206-C1316 WeakPolarHBondContact CD1-SG 3.26Å; K1250-C1316 HydrophobicContact CD-CB 4.03Å; I1314-C1316 VanDerWaalsContact C-N 3.34Å; I1314-C1316 PolarHBondContact O-N 3.19Å; I1314-C1316 PolarHBondContact O-SG 3.15Å; I1314-C1316 VanDerWaalsContact O-SG 3.37Å; C1316-M1318 VanDerWaalsContact C-N 3.31Å; C1316-M1318 PolarHBondContact O-N 3.42Å; C1316-Y1319 PolarHBondContact O-N 2.96Å; C1316-Y1319 VanDerWaalsContact O-N 3.1Å; C1316-W1321 HydrophobicContact CB-CB 3.91Å; C1316-W1321 HydrophobicContact CB-CG 4.25Å; C1316-W1321 VanDerWaalsContact O-CB 3.28Å; C1316-W1321 WeakPolarHBondContact O-CB 3.34Å; C1316-W1321 VanDerWaalsContact O-CD1 3.31Å; C1316-W1321 PolarHBondContact O-N 3.08Å |
| 1317 | G | 46.8 | Very low | 53.4 | Low | 49.2 Ų | 49.2 | 88.6 Ų | 88.6 | 51% | 0.507 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -68.7 | -23.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A1258 A1315 Y1319 | A1258-G1317 WeakPolarHBondContact CB-O 3.49Å; A1315-G1317 VanDerWaalsContact C-N 3.27Å; A1315-G1317 PolarHBondContact O-N 3.14Å; A1315-G1317 VanDerWaalsContact O-N 3.1Å; G1317-Y1319 VanDerWaalsContact C-N 3.33Å; G1317-Y1319 PolarHBondContact O-N 3.41Å |
| 1318 | M | 46.2 | Very low | 56.3 | Low | 155.8 Ų | 155.8 | 80.6 Ų | 80.6 | 77% | 0.767 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -87.1 | -12.3 | -178.9 | -79.2 | 179 | 65.5 | 0 | 0 | 114.2 | A1315 C1316 | A1315-M1318 PolarHBondContact O-N 3.24Å; C1316-M1318 VanDerWaalsContact C-N 3.31Å; C1316-M1318 PolarHBondContact O-N 3.42Å |
| 1319 | Y | 60.5 | Low | 59.4 | Low | 143 Ų | 143 | 72.3 Ų | 72.3 | 56% | 0.561 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -116 | 22.5 | -169.3 | -62 | -75.8 | 0 | 0 | 0 | 114.5 | Y1252 I1314 A1315 C1316 G1317 W1321 | Y1252-Y1319 VanDerWaalsContact CD2-O 3.27Å; Y1252-Y1319 WeakPolarHBondContact CD2-O 3.39Å; Y1252-Y1319 WeakPolarHBondContact CE2-O 3.33Å; I1314-Y1319 HydrophobicContact CG2-CD2 3.85Å; I1314-Y1319 HydrophobicContact CG2-CE2 3.88Å; I1314-Y1319 HydrophobicContact CG2-CG 4.46Å; A1315-Y1319 HydrophobicContact CB-CE2 4.46Å; A1315-Y1319 WeakPolarHBondContact O-CD2 3.32Å; C1316-Y1319 PolarHBondContact O-N 2.96Å; C1316-Y1319 VanDerWaalsContact O-N 3.1Å; G1317-Y1319 VanDerWaalsContact C-N 3.33Å; G1317-Y1319 PolarHBondContact O-N 3.41Å; Y1319-W1321 VanDerWaalsContact C-N 3.32Å; Y1319-W1321 PolarHBondContact O-N 2.93Å |
| 1320 | G | 71.3 | Confident | 62.3 | Low | 12.6 Ų | 12.6 | 63.7 Ų | 63.7 | 13% | 0.13 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 5.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1321 | W | 82.6 | Confident | 65.1 | Low | 27.6 Ų | 27.6 | 58.2 Ų | 58.2 | 11% | 0.105 | 30% | 0.303 | C | S | . | . | trans | -74 | 132.2 | 175.6 | -66.4 | 83.9 | 0 | 0 | 0 | 110.8 | W1204 I1206 I1227 K1250 V1251 Y1252 C1316 Y1319 | W1204-W1321 HydrophobicContact CB-CH2 3.64Å; W1204-W1321 HydrophobicContact CB-CZ2 4.34Å; W1204-W1321 HydrophobicContact CB-CZ3 4.14Å; I1206-W1321 HydrophobicContact CD1-CD2 4.2Å; I1206-W1321 HydrophobicContact CD1-CE3 3.89Å; I1206-W1321 HydrophobicContact CD1-CH2 4.5Å; I1206-W1321 HydrophobicContact CD1-CZ3 4.12Å; I1206-W1321 HydrophobicContact CG1-CD2 4.45Å; I1206-W1321 HydrophobicContact CG1-CE3 3.86Å; I1206-W1321 HydrophobicContact CG1-CH2 4.08Å; I1206-W1321 HydrophobicContact CG1-CZ3 3.6Å; I1227-W1321 HydrophobicContact CB-CH2 4.44Å; I1227-W1321 HydrophobicContact CD1-CH2 4.29Å; I1227-W1321 HydrophobicContact CD1-CZ2 3.87Å; I1227-W1321 HydrophobicContact CG1-CH2 4.04Å; I1227-W1321 HydrophobicContact CG1-CZ2 4.07Å; I1227-W1321 HydrophobicContact CG2-CH2 3.82Å; I1227-W1321 HydrophobicContact CG2-CZ2 4.21Å; K1250-W1321 HydrophobicContact CB-CE3 4.34Å; V1251-W1321 WeakPolarHBondContact O-CA 3.44Å; Y1252-W1321 VanDerWaalsContact CB-CD2 3.49Å; Y1252-W1321 VanDerWaalsContact CB-CE3 3.49Å; Y1252-W1321 HydrophobicContact CG-CD2 4.4Å; Y1252-W1321 HydrophobicContact CG-CZ2 4.45Å; C1316-W1321 HydrophobicContact CB-CB 3.91Å; C1316-W1321 HydrophobicContact CB-CG 4.25Å; C1316-W1321 VanDerWaalsContact O-CB 3.28Å; C1316-W1321 WeakPolarHBondContact O-CB 3.34Å; C1316-W1321 VanDerWaalsContact O-CD1 3.31Å; C1316-W1321 PolarHBondContact O-N 3.08Å; Y1319-W1321 VanDerWaalsContact C-N 3.32Å; Y1319-W1321 PolarHBondContact O-N 2.93Å | ||
| 1322 | M | 82.8 | Confident | 67.7 | Low | 12 Ų | 12 | 49.3 Ų | 49.3 | 6% | 0.059 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 147.9 | -179.5 | -32 | -164.5 | -71.1 | 0 | 0 | 112.4 | K1250 V1251 L1256 D1257 A1258 A1324 R1326 I1327 | K1250-M1322 CarbonylContact C-O 3.59Å; K1250-M1322 WeakPolarHBondContact CA-O 3.37Å; V1251-M1322 PolarHBondContact N-O 3.25Å; V1251-M1322 PolarHBondContact O-N 3.06Å; L1256-M1322 HydrophobicContact CB-CE 3.75Å; L1256-M1322 HydrophobicContact CB-SD 3.77Å; L1256-M1322 HydrophobicContact CD1-CE 4.25Å; L1256-M1322 HydrophobicContact CD1-CG 4.06Å; L1256-M1322 HydrophobicContact CD1-SD 3.91Å; L1256-M1322 HydrophobicContact CD2-CE 3.99Å; L1256-M1322 HydrophobicContact CD2-SD 3.98Å; L1256-M1322 HydrophobicContact CG-CE 4.24Å; L1256-M1322 HydrophobicContact CG-SD 4.1Å; D1257-M1322 WeakPolarHBondContact O-CE 3.33Å; A1258-M1322 HydrophobicContact CB-CG 4.06Å; M1322-A1324 PolarHBondContact O-N 3.46Å; M1322-R1326 VanDerWaalsContact CE-C 3.46Å; M1322-R1326 HydrophobicContact CE-CB 3.56Å; M1322-R1326 WeakPolarHBondContact CE-O 3.32Å; M1322-R1326 HydrophobicContact SD-CB 4.47Å; M1322-R1326 HydrophobicContact SD-CG 4.15Å; M1322-I1327 HydrophobicContact CB-CD1 4.25Å; M1322-I1327 HydrophobicContact CB-CG1 4.09Å; M1322-I1327 HydrophobicContact CE-CB 4.34Å; M1322-I1327 HydrophobicContact CE-CG1 3.86Å; M1322-I1327 HydrophobicContact CG-CD1 3.72Å; M1322-I1327 HydrophobicContact CG-CG1 3.48Å; M1322-I1327 VanDerWaalsContact CG-CG1 3.48Å; M1322-I1327 HydrophobicContact SD-CD1 4.25Å; M1322-I1327 HydrophobicContact SD-CG1 3.49Å; M1322-I1327 VanDerWaalsContact SD-CG1 3.53Å; M1322-I1327 WeakPolarHBondContact SD-CG1 3.33Å |
| 1323 | P | 85.2 | Confident | 69.8 | Low | 30 Ų | 30 | 41.9 Ų | 41.9 | 20% | 0.195 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 139.2 | 172.1 | -14 | 21.8 | 0 | 0 | 0 | 111.7 | T1249 K1325 R1326 | T1249-P1323 CarbonylContact O-C 3.42Å; T1249-P1323 WeakPolarHBondContact O-CA 3.38Å; P1323-K1325 VanDerWaalsContact C-N 3.26Å; P1323-K1325 HydrophobicContact CB-CG 4.36Å; P1323-K1325 PolarHBondContact O-N 3.14Å; P1323-K1325 VanDerWaalsContact O-N 3.13Å; P1323-R1326 HydrophobicContact CB-CG 4.46Å; P1323-R1326 HydrophobicContact CG-CB 3.98Å; P1323-R1326 VanDerWaalsContact O-CB 3.31Å; P1323-R1326 WeakPolarHBondContact O-CB 3.42Å; P1323-R1326 PolarHBondContact O-N 3.01Å |
| 1324 | A | 83.3 | Confident | 71.6 | Confident | 1.4 Ų | 1.4 | 37.7 Ų | 37.7 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -51.2 | -39.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I1245 N1246 T1249 V1251 M1322 R1326 I1327 I1330 | I1245-A1324 HydrophobicContact CG2-CB 4.42Å; N1246-A1324 WeakPolarHBondContact O-CB 3.4Å; T1249-A1324 PolarHBondContact O-N 3.17Å; V1251-A1324 HydrophobicContact CG2-CB 4.23Å; M1322-A1324 PolarHBondContact O-N 3.46Å; A1324-R1326 PolarHBondContact O-N 3.34Å; A1324-R1326 VanDerWaalsContact O-N 3.14Å; A1324-I1327 PolarHBondContact O-N 3.13Å; A1324-I1327 VanDerWaalsContact O-N 3.13Å; A1324-I1330 HydrophobicContact CB-CD1 4.46Å; A1324-I1330 HydrophobicContact CB-CG2 4.21Å |
| 1325 | K | 82.4 | Confident | 72.7 | Confident | 86.2 Ų | 86.2 | 34.2 Ų | 34.2 | 38% | 0.375 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -60.6 | -22.6 | 177.7 | 71 | -177.4 | -176.2 | 176.6 | 0 | 114.7 | N1247 D1271 P1323 R1331 | N1247-K1325 HydrophobicContact CB-CB 4.07Å; N1247-K1325 HydrophobicContact CB-CD 4.45Å; N1247-K1325 VanDerWaalsContact O-CB 3.31Å; N1247-K1325 WeakPolarHBondContact O-CB 3.38Å; N1247-K1325 WeakPolarHBondContact O-CD 3.44Å; N1247-K1325 WeakPolarHBondContact O-CG 3.37Å; N1247-K1325 PolarHBondContact O-N 3.1Å; N1247-K1325 VanDerWaalsContact O-N 3.14Å; D1271-K1325 IonicContact OD1-NZ 3.59Å; D1271-K1325 IonicContact OD2-NZ 3.25Å; D1271-K1325 PolarHBondContact OD2-NZ 3.33Å; P1323-K1325 VanDerWaalsContact C-N 3.26Å; P1323-K1325 HydrophobicContact CB-CG 4.36Å; P1323-K1325 PolarHBondContact O-N 3.14Å; P1323-K1325 VanDerWaalsContact O-N 3.13Å; K1325-R1331 PolarHBondContact O-NH1 3.02Å |
| 1326 | R | 83.3 | Confident | 73.5 | Confident | 19 Ų | 19 | 36.2 Ų | 36.2 | 7% | 0.072 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -87.7 | -22.8 | -179.4 | -133.6 | -179.5 | 138.1 | -172 | -9.7 | 112.5 | A1258 T1259 D1272 M1322 P1323 A1324 V1328 | A1258-R1326 PolarHBondContact O-NH1 3.28Å; T1259-R1326 PolarHBondContact O-NH2 3.17Å; D1272-R1326 IonicContact OD1-CZ 2.77Å; D1272-R1326 IonicContact OD1-NH1 2.99Å; D1272-R1326 PolarHBondContact OD1-NH1 3.47Å; D1272-R1326 IonicContact OD1-NH2 3.31Å; D1272-R1326 PolarHBondContact OD1-NH2 3.24Å; D1272-R1326 IonicContact OD2-CZ 3.49Å; D1272-R1326 IonicContact OD2-NH1 2.79Å; D1272-R1326 PolarHBondContact OD2-NH1 2.9Å; D1272-R1326 IonicContact OD2-NH2 3.28Å; M1322-R1326 VanDerWaalsContact CE-C 3.46Å; M1322-R1326 HydrophobicContact CE-CB 3.56Å; M1322-R1326 WeakPolarHBondContact CE-O 3.32Å; M1322-R1326 HydrophobicContact SD-CB 4.47Å; M1322-R1326 HydrophobicContact SD-CG 4.15Å; P1323-R1326 HydrophobicContact CB-CG 4.46Å; P1323-R1326 HydrophobicContact CG-CB 3.98Å; P1323-R1326 VanDerWaalsContact O-CB 3.31Å; P1323-R1326 WeakPolarHBondContact O-CB 3.42Å; P1323-R1326 PolarHBondContact O-N 3.01Å; A1324-R1326 PolarHBondContact O-N 3.34Å; A1324-R1326 VanDerWaalsContact O-N 3.14Å; R1326-V1328 PolarHBondContact O-N 3.34Å |
| 1327 | I | 87.9 | Confident | 73.7 | Confident | 5.2 Ų | 5.2 | 37.3 Ų | 37.3 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | trans | -78.7 | 112.7 | -179.5 | -61.9 | 165.8 | 0 | 0 | 0 | 108.1 | W1203 V1251 L1256 M1322 A1324 Q1329 I1330 R1331 | W1203-I1327 HydrophobicContact CH2-CG2 4.17Å; W1203-I1327 HydrophobicContact CZ3-CD1 4.31Å; W1203-I1327 HydrophobicContact CZ3-CG2 4.37Å; V1251-I1327 HydrophobicContact CB-CD1 3.76Å; V1251-I1327 HydrophobicContact CG1-CD1 3.94Å; L1256-I1327 HydrophobicContact CD1-CD1 3.83Å; L1256-I1327 HydrophobicContact CD1-CG1 4.25Å; L1256-I1327 HydrophobicContact CD2-CG1 4.42Å; L1256-I1327 HydrophobicContact CD2-CG2 4.22Å; M1322-I1327 HydrophobicContact CB-CD1 4.25Å; M1322-I1327 HydrophobicContact CB-CG1 4.09Å; M1322-I1327 HydrophobicContact CE-CB 4.34Å; M1322-I1327 HydrophobicContact CE-CG1 3.86Å; M1322-I1327 HydrophobicContact CG-CD1 3.72Å; M1322-I1327 HydrophobicContact CG-CG1 3.48Å; M1322-I1327 VanDerWaalsContact CG-CG1 3.48Å; M1322-I1327 HydrophobicContact SD-CD1 4.25Å; M1322-I1327 HydrophobicContact SD-CG1 3.49Å; M1322-I1327 VanDerWaalsContact SD-CG1 3.53Å; M1322-I1327 WeakPolarHBondContact SD-CG1 3.33Å; A1324-I1327 PolarHBondContact O-N 3.13Å; A1324-I1327 VanDerWaalsContact O-N 3.13Å; I1327-Q1329 VanDerWaalsContact C-N 3.31Å; I1327-Q1329 HydrophobicContact CG2-CB 4.21Å; I1327-Q1329 PolarHBondContact O-N 3.22Å; I1327-I1330 HydrophobicContact CB-CB 4.18Å; I1327-I1330 HydrophobicContact CB-CD1 4.05Å; I1327-I1330 HydrophobicContact CB-CG1 4.15Å; I1327-I1330 HydrophobicContact CD1-CD1 3.73Å; I1327-I1330 HydrophobicContact CD1-CG1 4.48Å; I1327-I1330 HydrophobicContact CG1-CD1 4.39Å; I1327-I1330 HydrophobicContact CG2-CB 4.23Å; I1327-I1330 HydrophobicContact CG2-CD1 4Å; I1327-I1330 HydrophobicContact CG2-CG1 3.83Å; I1327-I1330 PolarHBondContact O-N 3.26Å; I1327-I1330 VanDerWaalsContact O-N 3.1Å; I1327-R1331 WeakPolarHBondContact O-CB 3.45Å; I1327-R1331 PolarHBondContact O-N 3.03Å | ||
| 1328 | V | 88.1 | Confident | 73.8 | Confident | 6.8 Ų | 6.8 | 37.4 Ų | 37.4 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.8 | -43.2 | -174.8 | 176.4 | 0 | 0 | 0 | 0 | 111.9 | D1163 L1164 L1167 R1326 I1330 R1331 W1332 | D1163-V1328 HydrophobicContact CB-CB 4.17Å; D1163-V1328 HydrophobicContact CB-CG1 4.33Å; D1163-V1328 HydrophobicContact CB-CG2 3.77Å; L1164-V1328 HydrophobicContact CD2-CG1 3.98Å; L1167-V1328 HydrophobicContact CD1-CG1 4.02Å; L1167-V1328 HydrophobicContact CD2-CG1 4.19Å; L1167-V1328 HydrophobicContact CG-CG1 4.13Å; R1326-V1328 PolarHBondContact O-N 3.34Å; V1328-I1330 VanDerWaalsContact C-N 3.34Å; V1328-I1330 PolarHBondContact O-N 3.3Å; V1328-R1331 PolarHBondContact O-N 3.22Å; V1328-W1332 VanDerWaalsContact CG1-CD1 3.48Å; V1328-W1332 VanDerWaalsContact O-CD1 3.24Å; V1328-W1332 PolarHBondContact O-N 3.13Å; V1328-W1332 VanDerWaalsContact O-N 3.1Å |
| 1329 | Q | 89.3 | Confident | 73.7 | Confident | 3.8 Ų | 3.8 | 33.2 Ų | 33.2 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54 | -48.8 | 174.7 | -174.5 | 172.8 | -13.2 | 0 | 0 | 112.3 | L1170 F1233 I1327 T1333 S1578 I1580 | L1170-Q1329 HydrophobicContact CD1-CG 3.88Å; F1233-Q1329 HydrophobicContact CD2-CG 4.44Å; F1233-Q1329 VanDerWaalsContact CD2-NE2 3.3Å; F1233-Q1329 HydrophobicContact CE2-CG 3.83Å; F1233-Q1329 HydrophobicContact CZ-CG 3.9Å; I1327-Q1329 VanDerWaalsContact C-N 3.31Å; I1327-Q1329 HydrophobicContact CG2-CB 4.21Å; I1327-Q1329 PolarHBondContact O-N 3.22Å; Q1329-T1333 WeakPolarHBondContact O-CB 3.4Å; Q1329-T1333 VanDerWaalsContact O-CG2 3.29Å; Q1329-T1333 WeakPolarHBondContact O-CG2 3.34Å; Q1329-T1333 PolarHBondContact O-N 3.24Å; Q1329-T1333 VanDerWaalsContact O-N 3.12Å; Q1329-T1333 PolarHBondContact O-OG1 3.14Å; Q1329-S1578 PolarHBondContact NE2-O 3.26Å; Q1329-I1580 HydrophobicContact CB-CD1 3.68Å; Q1329-I1580 HydrophobicContact CB-CG1 4.08Å; Q1329-I1580 HydrophobicContact CG-CD1 4.16Å; Q1329-I1580 HydrophobicContact CG-CG1 4.3Å; Q1329-I1580 HydrophobicContact CG-CG2 4.43Å; Q1329-I1580 VanDerWaalsContact OE1-N 3.1Å |
| 1330 | I | 85.7 | Confident | 72.6 | Confident | 3.2 Ų | 3.2 | 32.4 Ų | 32.4 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72.6 | -42.6 | -177.1 | -62.1 | 177.7 | 0 | 0 | 0 | 110.5 | W1203 L1236 I1240 V1251 A1324 I1327 V1328 W1332 T1333 L1334 I1337 | W1203-I1330 HydrophobicContact CE3-CD1 4.31Å; W1203-I1330 HydrophobicContact CH2-CD1 4.37Å; W1203-I1330 HydrophobicContact CH2-CG1 4.47Å; W1203-I1330 HydrophobicContact CZ3-CD1 4.01Å; W1203-I1330 HydrophobicContact CZ3-CG1 4.47Å; L1236-I1330 HydrophobicContact CD2-CD1 3.86Å; L1236-I1330 HydrophobicContact CD2-CG1 4.27Å; I1240-I1330 HydrophobicContact CD1-CG2 3.88Å; V1251-I1330 HydrophobicContact CB-CD1 4.4Å; V1251-I1330 HydrophobicContact CG1-CD1 4.01Å; V1251-I1330 HydrophobicContact CG2-CD1 4.42Å; A1324-I1330 HydrophobicContact CB-CD1 4.46Å; A1324-I1330 HydrophobicContact CB-CG2 4.21Å; I1327-I1330 HydrophobicContact CB-CB 4.18Å; I1327-I1330 HydrophobicContact CB-CD1 4.05Å; I1327-I1330 HydrophobicContact CB-CG1 4.15Å; I1327-I1330 HydrophobicContact CD1-CD1 3.73Å; I1327-I1330 HydrophobicContact CD1-CG1 4.48Å; I1327-I1330 HydrophobicContact CG1-CD1 4.39Å; I1327-I1330 HydrophobicContact CG2-CB 4.23Å; I1327-I1330 HydrophobicContact CG2-CD1 4Å; I1327-I1330 HydrophobicContact CG2-CG1 3.83Å; I1327-I1330 PolarHBondContact O-N 3.26Å; I1327-I1330 VanDerWaalsContact O-N 3.1Å; V1328-I1330 VanDerWaalsContact C-N 3.34Å; V1328-I1330 PolarHBondContact O-N 3.3Å; I1330-W1332 VanDerWaalsContact C-N 3.31Å; I1330-W1332 PolarHBondContact O-N 3.02Å; I1330-T1333 WeakPolarHBondContact CA-OG1 3.29Å; I1330-T1333 WeakPolarHBondContact O-CB 3.33Å; I1330-T1333 PolarHBondContact O-N 3.08Å; I1330-T1333 PolarHBondContact O-OG1 3.41Å; I1330-T1333 VanDerWaalsContact O-OG1 3.13Å; I1330-L1334 HydrophobicContact CB-CD1 4.4Å; I1330-L1334 HydrophobicContact CG2-CD1 3.79Å; I1330-L1334 VanDerWaalsContact CG2-CD1 3.48Å; I1330-L1334 HydrophobicContact CG2-CG 4.28Å; I1330-L1334 VanDerWaalsContact O-CB 3.26Å; I1330-L1334 WeakPolarHBondContact O-CB 3.36Å; I1330-L1334 WeakPolarHBondContact O-CD1 3.4Å; I1330-L1334 WeakPolarHBondContact O-CG 3.41Å; I1330-L1334 PolarHBondContact O-N 3.09Å; I1330-I1337 HydrophobicContact CG2-CD1 3.37Å |
| 1331 | R | 85.5 | Confident | 70.8 | Confident | 20.2 Ų | 20.2 | 35.9 Ų | 35.9 | 8% | 0.076 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.4 | -45.1 | 179.2 | -177.8 | 171.8 | 71.2 | -139.3 | 15.4 | 112.3 | L1123 D1124 T1126 K1325 I1327 V1328 L1334 A1335 | L1123-R1331 PolarHBondContact O-NH2 3.26Å; D1124-R1331 PolarHBondContact O-NH1 3.21Å; D1124-R1331 PolarHBondContact O-NH2 3.07Å; D1124-R1331 VanDerWaalsContact O-NH2 3.13Å; D1124-R1331 IonicContact OD1-NH1 2.78Å; D1124-R1331 IonicContact OD1-NH2 3.67Å; T1126-R1331 WeakPolarHBondContact O-CD 3.46Å; T1126-R1331 PolarHBondContact O-NE 2.95Å; K1325-R1331 PolarHBondContact O-NH1 3.02Å; I1327-R1331 WeakPolarHBondContact O-CB 3.45Å; I1327-R1331 PolarHBondContact O-N 3.03Å; V1328-R1331 PolarHBondContact O-N 3.22Å; R1331-L1334 WeakPolarHBondContact O-CB 3.4Å; R1331-L1334 PolarHBondContact O-N 3.24Å; R1331-A1335 VanDerWaalsContact O-CB 3.32Å; R1331-A1335 WeakPolarHBondContact O-CB 3.27Å; R1331-A1335 PolarHBondContact O-N 3.09Å; R1331-A1335 VanDerWaalsContact O-N 3.09Å |
| 1332 | W | 82.7 | Confident | 68.6 | Low | 5.8 Ų | 5.8 | 38.3 Ų | 38.3 | 2% | 0.022 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -82.8 | -28 | -177.1 | -67.4 | 108.5 | 0 | 0 | 0 | 113.2 | T1126 A1129 R1132 L1164 L1167 V1328 I1330 L1334 A1335 D1336 Y1387 | T1126-W1332 HydrophobicContact CG2-CH2 4.31Å; T1126-W1332 HydrophobicContact CG2-CZ2 4.32Å; A1129-W1332 HydrophobicContact CB-CZ3 3.98Å; R1132-W1332 HydrophobicContact CB-CH2 3.72Å; R1132-W1332 HydrophobicContact CB-CZ2 4Å; R1132-W1332 VanDerWaalsContact CD-CZ2 3.43Å; R1132-W1332 HydrophobicContact CG-CH2 4.16Å; R1132-W1332 HydrophobicContact CG-CZ2 3.98Å; L1164-W1332 HydrophobicContact CD2-CZ2 4.48Å; L1167-W1332 HydrophobicContact CD1-CB 4.15Å; L1167-W1332 VanDerWaalsContact CD1-CD1 3.45Å; L1167-W1332 HydrophobicContact CD1-CG 3.85Å; L1167-W1332 HydrophobicContact CD2-CB 4.2Å; V1328-W1332 VanDerWaalsContact CG1-CD1 3.48Å; V1328-W1332 VanDerWaalsContact O-CD1 3.24Å; V1328-W1332 PolarHBondContact O-N 3.13Å; V1328-W1332 VanDerWaalsContact O-N 3.1Å; I1330-W1332 VanDerWaalsContact C-N 3.31Å; I1330-W1332 PolarHBondContact O-N 3.02Å; W1332-L1334 VanDerWaalsContact C-N 3.33Å; W1332-L1334 PolarHBondContact O-N 3.1Å; W1332-A1335 HydrophobicContact CE3-CB 4.08Å; W1332-A1335 HydrophobicContact CZ3-CB 4.39Å; W1332-A1335 WeakPolarHBondContact O-CB 3.46Å; W1332-A1335 PolarHBondContact O-N 3.18Å; W1332-A1335 VanDerWaalsContact O-N 3.11Å; W1332-D1336 WeakPolarHBondContact O-CB 3.41Å; W1332-D1336 VanDerWaalsContact O-CG 3.26Å; W1332-D1336 PolarHBondContact O-N 2.99Å; W1332-Y1387 HydrophobicContact CB-CE1 4.45Å; W1332-Y1387 PolarHBondContact O-OH 3.04Å; W1332-Y1387 VanDerWaalsContact O-OH 3.07Å |
| 1333 | T | 75.3 | Confident | 66.3 | Low | 17.8 Ų | 17.8 | 41.9 Ų | 41.9 | 11% | 0.109 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.9 | -30.7 | 172.2 | 13.8 | 0 | 0 | 0 | 0 | 113.3 | L1170 F1233 Q1237 Q1329 I1330 I1337 | L1170-T1333 HydrophobicContact CD1-CG2 3.73Å; F1233-T1333 HydrophobicContact CE1-CG2 4.26Å; F1233-T1333 HydrophobicContact CE2-CG2 4.48Å; F1233-T1333 HydrophobicContact CZ-CG2 3.98Å; F1233-T1333 WeakPolarHBondContact CZ-OG1 3.34Å; Q1237-T1333 HydrophobicContact CG-CG2 3.69Å; Q1329-T1333 WeakPolarHBondContact O-CB 3.4Å; Q1329-T1333 VanDerWaalsContact O-CG2 3.29Å; Q1329-T1333 WeakPolarHBondContact O-CG2 3.34Å; Q1329-T1333 PolarHBondContact O-N 3.24Å; Q1329-T1333 VanDerWaalsContact O-N 3.12Å; Q1329-T1333 PolarHBondContact O-OG1 3.14Å; I1330-T1333 WeakPolarHBondContact CA-OG1 3.29Å; I1330-T1333 WeakPolarHBondContact O-CB 3.33Å; I1330-T1333 PolarHBondContact O-N 3.08Å; I1330-T1333 PolarHBondContact O-OG1 3.41Å; I1330-T1333 VanDerWaalsContact O-OG1 3.13Å; T1333-I1337 HydrophobicContact CG2-CD1 4.18Å; T1333-I1337 VanDerWaalsContact O-CD1 3.32Å; T1333-I1337 WeakPolarHBondContact O-CD1 3.37Å; T1333-I1337 VanDerWaalsContact O-CG1 3.27Å; T1333-I1337 WeakPolarHBondContact O-CG1 3.37Å; T1333-I1337 PolarHBondContact O-N 3.08Å; T1333-I1337 VanDerWaalsContact O-N 3.1Å |
| 1334 | L | 66.9 | Low | 63.6 | Low | 29.8 Ų | 29.8 | 45.9 Ų | 45.9 | 16% | 0.156 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -83.8 | -18.8 | 175.4 | -91.2 | 140.1 | 0 | 0 | 0 | 111.4 | Q1237 I1240 K1241 N1247 I1330 R1331 W1332 D1336 I1337 S1338 | Q1237-L1334 HydrophobicContact CB-CD1 4.48Å; Q1237-L1334 HydrophobicContact CB-CD2 3.85Å; Q1237-L1334 HydrophobicContact CG-CD1 3.96Å; Q1237-L1334 HydrophobicContact CG-CD2 3.79Å; Q1237-L1334 HydrophobicContact CG-CG 4.06Å; I1240-L1334 HydrophobicContact CB-CD1 4.33Å; I1240-L1334 HydrophobicContact CB-CD2 4.06Å; I1240-L1334 HydrophobicContact CD1-CD1 3.45Å; I1240-L1334 VanDerWaalsContact CD1-CD1 3.41Å; I1240-L1334 HydrophobicContact CG1-CD1 4.46Å; I1240-L1334 HydrophobicContact CG2-CD1 3.82Å; I1240-L1334 HydrophobicContact CG2-CD2 3.69Å; I1240-L1334 HydrophobicContact CG2-CG 4.25Å; K1241-L1334 HydrophobicContact CG-CD2 4.32Å; N1247-L1334 WeakPolarHBondContact OD1-CD1 3.5Å; N1247-L1334 VanDerWaalsContact OD1-CD2 3.31Å; N1247-L1334 WeakPolarHBondContact OD1-CD2 3.34Å; I1330-L1334 HydrophobicContact CB-CD1 4.4Å; I1330-L1334 HydrophobicContact CG2-CD1 3.79Å; I1330-L1334 VanDerWaalsContact CG2-CD1 3.48Å; I1330-L1334 HydrophobicContact CG2-CG 4.28Å; I1330-L1334 VanDerWaalsContact O-CB 3.26Å; I1330-L1334 WeakPolarHBondContact O-CB 3.36Å; I1330-L1334 WeakPolarHBondContact O-CD1 3.4Å; I1330-L1334 WeakPolarHBondContact O-CG 3.41Å; I1330-L1334 PolarHBondContact O-N 3.09Å; R1331-L1334 WeakPolarHBondContact O-CB 3.4Å; R1331-L1334 PolarHBondContact O-N 3.24Å; W1332-L1334 VanDerWaalsContact C-N 3.33Å; W1332-L1334 PolarHBondContact O-N 3.1Å; L1334-D1336 PolarHBondContact O-N 3.2Å; L1334-I1337 HydrophobicContact CB-CD1 3.79Å; L1334-I1337 HydrophobicContact CB-CG1 3.66Å; L1334-I1337 HydrophobicContact CD1-CD1 4.06Å; L1334-I1337 WeakPolarHBondContact O-CB 3.42Å; L1334-I1337 WeakPolarHBondContact O-CG1 3.37Å; L1334-I1337 PolarHBondContact O-N 3.27Å; L1334-I1337 VanDerWaalsContact O-N 3.14Å; L1334-S1338 PolarHBondContact O-N 3.13Å; L1334-S1338 VanDerWaalsContact O-N 3.09Å |
| 1335 | A | 58.6 | Low | 60.9 | Low | 19.6 Ų | 19.6 | 56.3 Ų | 56.3 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.8 | -29 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1331 W1332 I1337 S1338 E1339 N1341 | R1331-A1335 VanDerWaalsContact O-CB 3.32Å; R1331-A1335 WeakPolarHBondContact O-CB 3.27Å; R1331-A1335 PolarHBondContact O-N 3.09Å; R1331-A1335 VanDerWaalsContact O-N 3.09Å; W1332-A1335 HydrophobicContact CE3-CB 4.08Å; W1332-A1335 HydrophobicContact CZ3-CB 4.39Å; W1332-A1335 WeakPolarHBondContact O-CB 3.46Å; W1332-A1335 PolarHBondContact O-N 3.18Å; W1332-A1335 VanDerWaalsContact O-N 3.11Å; A1335-I1337 VanDerWaalsContact C-N 3.29Å; A1335-I1337 PolarHBondContact O-N 3.17Å; A1335-S1338 CarbonylContact O-C 3.52Å; A1335-S1338 WeakPolarHBondContact O-CA 3.21Å; A1335-S1338 WeakPolarHBondContact O-CB 3.32Å; A1335-S1338 PolarHBondContact O-N 3.41Å; A1335-E1339 PolarHBondContact O-N 3.11Å; A1335-N1341 HydrophobicContact CB-CB 3.72Å |
| 1336 | D | 54.5 | Low | 58.4 | Low | 87.4 Ų | 87.4 | 56.7 Ų | 56.7 | 47% | 0.467 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.1 | -30.8 | 173 | -69.7 | -17.2 | 0 | 0 | 0 | 112.3 | W1332 L1334 S1338 E1339 M1340 Y1387 | W1332-D1336 WeakPolarHBondContact O-CB 3.41Å; W1332-D1336 VanDerWaalsContact O-CG 3.26Å; W1332-D1336 PolarHBondContact O-N 2.99Å; L1334-D1336 PolarHBondContact O-N 3.2Å; D1336-S1338 VanDerWaalsContact C-N 3.32Å; D1336-S1338 PolarHBondContact O-N 3.23Å; D1336-E1339 PolarHBondContact O-N 3.3Å; D1336-M1340 VanDerWaalsContact O-CB 3.3Å; D1336-M1340 WeakPolarHBondContact O-CB 3.37Å; D1336-M1340 PolarHBondContact O-N 2.93Å; D1336-Y1387 VanDerWaalsContact CG-OH 3.25Å; D1336-Y1387 PolarHBondContact OD1-OH 2.97Å; D1336-Y1387 VanDerWaalsContact OD1-OH 3.1Å; D1336-Y1387 PolarHBondContact OD2-OH 3.06Å |
| 1337 | I | 49.5 | Very low | 55.5 | Low | 47.4 Ų | 47.4 | 62.6 Ų | 62.6 | 24% | 0.243 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.4 | -35.1 | 174.4 | -60.2 | 168.2 | 0 | 0 | 0 | 111.2 | Q1237 I1240 K1241 N1247 I1330 T1333 L1334 A1335 | Q1237-I1337 HydrophobicContact CG-CD1 3.89Å; I1240-I1337 HydrophobicContact CB-CD1 4.35Å; I1240-I1337 HydrophobicContact CD1-CD1 3.82Å; I1240-I1337 HydrophobicContact CG1-CD1 4.2Å; I1240-I1337 HydrophobicContact CG2-CB 4.49Å; I1240-I1337 HydrophobicContact CG2-CD1 3.73Å; I1240-I1337 HydrophobicContact CG2-CG1 3.31Å; K1241-I1337 HydrophobicContact CD-CD1 4.45Å; K1241-I1337 HydrophobicContact CG-CD1 3.97Å; K1241-I1337 HydrophobicContact CG-CG2 4.21Å; N1247-I1337 PolarHBondContact ND2-O 2.92Å; N1247-I1337 WeakPolarHBondContact OD1-CG2 3.27Å; N1247-I1337 PolarHBondContact OD1-O 3.2Å; I1330-I1337 HydrophobicContact CG2-CD1 3.37Å; T1333-I1337 HydrophobicContact CG2-CD1 4.18Å; T1333-I1337 VanDerWaalsContact O-CD1 3.32Å; T1333-I1337 WeakPolarHBondContact O-CD1 3.37Å; T1333-I1337 VanDerWaalsContact O-CG1 3.27Å; T1333-I1337 WeakPolarHBondContact O-CG1 3.37Å; T1333-I1337 PolarHBondContact O-N 3.08Å; T1333-I1337 VanDerWaalsContact O-N 3.1Å; L1334-I1337 HydrophobicContact CB-CD1 3.79Å; L1334-I1337 HydrophobicContact CB-CG1 3.66Å; L1334-I1337 HydrophobicContact CD1-CD1 4.06Å; L1334-I1337 WeakPolarHBondContact O-CB 3.42Å; L1334-I1337 WeakPolarHBondContact O-CG1 3.37Å; L1334-I1337 PolarHBondContact O-N 3.27Å; L1334-I1337 VanDerWaalsContact O-N 3.14Å; A1335-I1337 VanDerWaalsContact C-N 3.29Å; A1335-I1337 PolarHBondContact O-N 3.17Å |
| 1338 | S | 48.1 | Very low | 52.8 | Low | 49.8 Ų | 49.8 | 67.6 Ų | 67.6 | 35% | 0.348 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -79.3 | -25.4 | 175.3 | -169.6 | 0 | 0 | 0 | 0 | 111.4 | L1334 A1335 D1336 M1340 | L1334-S1338 PolarHBondContact O-N 3.13Å; L1334-S1338 VanDerWaalsContact O-N 3.09Å; A1335-S1338 CarbonylContact O-C 3.52Å; A1335-S1338 WeakPolarHBondContact O-CA 3.21Å; A1335-S1338 WeakPolarHBondContact O-CB 3.32Å; A1335-S1338 PolarHBondContact O-N 3.41Å; D1336-S1338 VanDerWaalsContact C-N 3.32Å; D1336-S1338 PolarHBondContact O-N 3.23Å; S1338-M1340 PolarHBondContact O-N 3Å; S1338-M1340 VanDerWaalsContact O-N 3.13Å |
| 1339 | E | 44.3 | Very low | 49.8 | Very low | 67.8 Ų | 67.8 | 73 Ų | 73 | 32% | 0.317 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -73.2 | -23 | 179.4 | -70.8 | -176.5 | -178.2 | 0 | 0 | 111.9 | A1335 D1336 N1341 V1342 S1343 G1382 M1383 | A1335-E1339 PolarHBondContact O-N 3.11Å; D1336-E1339 PolarHBondContact O-N 3.3Å; E1339-N1341 VanDerWaalsContact C-N 3.31Å; E1339-N1341 PolarHBondContact O-N 3.14Å; E1339-N1341 VanDerWaalsContact O-N 3.17Å; E1339-V1342 WeakPolarHBondContact O-CA 3.37Å; E1339-V1342 WeakPolarHBondContact O-CB 3.34Å; E1339-V1342 PolarHBondContact O-N 3.32Å; E1339-S1343 PolarHBondContact O-N 3.43Å; E1339-G1382 VanDerWaalsContact OE2-CA 3.23Å; E1339-G1382 WeakPolarHBondContact OE2-CA 3.42Å; E1339-M1383 PolarHBondContact OE2-N 3.47Å |
| 1340 | M | 37.7 | Very low | 46.8 | Very low | 128 Ų | 128 | 78.7 Ų | 78.7 | 63% | 0.631 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -53.9 | 6.3 | 175.1 | -159.3 | 85.3 | 109.9 | 0 | 0 | 113.6 | I1081 D1336 S1338 V1342 T1344 | I1081-M1340 HydrophobicContact CD1-CG 3.8Å; I1081-M1340 HydrophobicContact CD1-SD 4.45Å; I1081-M1340 HydrophobicContact CG1-CE 4.22Å; I1081-M1340 HydrophobicContact CG1-CG 3.29Å; I1081-M1340 HydrophobicContact CG1-SD 3.5Å; I1081-M1340 VanDerWaalsContact CG1-SD 3.5Å; D1336-M1340 VanDerWaalsContact O-CB 3.3Å; D1336-M1340 WeakPolarHBondContact O-CB 3.37Å; D1336-M1340 PolarHBondContact O-N 2.93Å; S1338-M1340 PolarHBondContact O-N 3Å; S1338-M1340 VanDerWaalsContact O-N 3.13Å; M1340-V1342 VanDerWaalsContact C-N 3.29Å; M1340-V1342 PolarHBondContact O-N 2.91Å; M1340-T1344 PolarHBondContact O-OG1 2.89Å; M1340-T1344 VanDerWaalsContact O-OG1 3.1Å |
| 1341 | N | 33 | Very low | 44 | Very low | 85.6 Ų | 85.6 | 83.7 Ų | 83.7 | 46% | 0.458 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -99.4 | 19.1 | 166 | -96 | -9.2 | 0 | 0 | 0 | 112.7 | N1079 A1335 E1339 S1343 T1344 | N1079-N1341 PolarHBondContact OD1-ND2 3.24Å; N1079-N1341 VanDerWaalsContact OD1-ND2 3.09Å; A1335-N1341 HydrophobicContact CB-CB 3.72Å; E1339-N1341 VanDerWaalsContact C-N 3.31Å; E1339-N1341 PolarHBondContact O-N 3.14Å; E1339-N1341 VanDerWaalsContact O-N 3.17Å; N1341-S1343 PolarHBondContact O-N 3.22Å; N1341-T1344 PolarHBondContact O-OG1 3.22Å |
| 1342 | V | 37 | Very low | 41.1 | Very low | 78.4 Ų | 78.4 | 88.7 Ų | 88.7 | 48% | 0.475 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -90.5 | -32.5 | 174 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | I1081 E1339 M1340 T1344 R1345 | I1081-V1342 HydrophobicContact CD1-CG2 3.77Å; I1081-V1342 HydrophobicContact CG1-CG2 4.16Å; E1339-V1342 WeakPolarHBondContact O-CA 3.37Å; E1339-V1342 WeakPolarHBondContact O-CB 3.34Å; E1339-V1342 PolarHBondContact O-N 3.32Å; M1340-V1342 VanDerWaalsContact C-N 3.29Å; M1340-V1342 PolarHBondContact O-N 2.91Å; V1342-T1344 VanDerWaalsContact C-N 3.3Å; V1342-T1344 PolarHBondContact O-N 3.15Å; V1342-T1344 VanDerWaalsContact O-N 3.15Å; V1342-R1345 PolarHBondContact O-N 3.41Å; V1342-R1345 VanDerWaalsContact O-N 3.13Å |
| 1343 | S | 33.5 | Very low | 38.5 | Very low | 86.8 Ų | 86.8 | 93.9 Ų | 93.9 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -93.2 | -9 | 178.4 | -56.9 | 0 | 0 | 0 | 0 | 114.7 | E1339 N1341 R1345 S1346 | E1339-S1343 PolarHBondContact O-N 3.43Å; N1341-S1343 PolarHBondContact O-N 3.22Å; S1343-R1345 VanDerWaalsContact C-N 3.3Å; S1343-R1345 PolarHBondContact O-N 2.85Å; S1343-S1346 PolarHBondContact O-N 3.31Å; S1343-S1346 PolarHBondContact O-OG 3.29Å |
| 1344 | T | 29.9 | Very low | 36.2 | Very low | 113.6 Ų | 113.6 | 100 Ų | 100 | 70% | 0.697 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | 13.2 | 177 | 56.2 | 0 | 0 | 0 | 0 | 115.9 | M1340 N1341 V1342 | M1340-T1344 PolarHBondContact O-OG1 2.89Å; M1340-T1344 VanDerWaalsContact O-OG1 3.1Å; N1341-T1344 PolarHBondContact O-OG1 3.22Å; V1342-T1344 VanDerWaalsContact C-N 3.3Å; V1342-T1344 PolarHBondContact O-N 3.15Å; V1342-T1344 VanDerWaalsContact O-N 3.15Å |
| 1345 | R | 25.9 | Very low | 34.4 | Very low | 220 Ų | 220 | 105.7 Ų | 105.7 | 83% | 0.83 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | 24.9 | 167.8 | -87.2 | -174.3 | 176.7 | 177.8 | 0.1 | 114.2 | V1342 S1343 | V1342-R1345 PolarHBondContact O-N 3.41Å; V1342-R1345 VanDerWaalsContact O-N 3.13Å; S1343-R1345 VanDerWaalsContact C-N 3.3Å; S1343-R1345 PolarHBondContact O-N 2.85Å |
| 1346 | S | 29.2 | Very low | 32.9 | Very low | 94.6 Ų | 94.6 | 111.7 Ų | 111.7 | 66% | 0.662 | 63% | 0.629 | S | S | * | * | trans | -122.9 | 44.1 | 166.9 | 62.3 | 0 | 0 | 0 | 0 | 112.1 | S1343 P1348 | S1343-S1346 PolarHBondContact O-N 3.31Å; S1343-S1346 PolarHBondContact O-OG 3.29Å; S1346-P1348 VanDerWaalsContact O-CD 3.24Å; S1346-P1348 WeakPolarHBondContact O-CD 3.37Å; S1346-P1348 VanDerWaalsContact O-N 3.15Å | ||
| 1347 | N | 24 | Very low | 31.7 | Very low | 144 Ų | 144 | 114.3 Ų | 114.3 | 77% | 0.77 | 64% | 0.642 | S | S | * | * | trans | -76.2 | 108.1 | 157.3 | -84.7 | -23.5 | 0 | 0 | 0 | 107.1 | T1349 | N1347-T1349 PolarHBondContact O-N 3.13Å; N1347-T1349 VanDerWaalsContact O-N 3.09Å | ||
| 1348 | P | 29.7 | Very low | 30.7 | Very low | 108.6 Ų | 108.6 | 117.9 Ų | 117.9 | 71% | 0.705 | 67% | 0.666 | S | S | * | * | trans | -66.5 | 105.3 | 166.5 | 29.8 | -28.9 | 0 | 0 | 0 | 105.3 | S1346 V1350 | S1346-P1348 VanDerWaalsContact O-CD 3.24Å; S1346-P1348 WeakPolarHBondContact O-CD 3.37Å; S1346-P1348 VanDerWaalsContact O-N 3.15Å; P1348-V1350 PolarHBondContact O-N 3.07Å | ||
| 1349 | T | 25.8 | Very low | 29.7 | Very low | 121.8 Ų | 121.8 | 120.5 Ų | 120.5 | 75% | 0.747 | 69% | 0.685 | S | S | * | * | trans | -61 | 96.7 | 166.3 | 20.5 | 0 | 0 | 0 | 0 | 106.6 | N1347 T1351 | N1347-T1349 PolarHBondContact O-N 3.13Å; N1347-T1349 VanDerWaalsContact O-N 3.09Å; T1349-T1351 PolarHBondContact O-N 3.06Å; T1349-T1351 PolarHBondContact O-OG1 3.11Å; T1349-T1351 VanDerWaalsContact O-OG1 3.08Å | ||
| 1350 | V | 27 | Very low | 28.8 | Very low | 121.6 Ų | 121.6 | 124.9 Ų | 124.9 | 74% | 0.737 | 71% | 0.711 | S | S | * | * | trans | -60.8 | 82.5 | 164.3 | 179.9 | 0 | 0 | 0 | 0 | 105.9 | P1348 T1352 | P1348-V1350 PolarHBondContact O-N 3.07Å; V1350-T1352 VanDerWaalsContact C-N 3.3Å; V1350-T1352 HydrophobicContact CG1-CG2 4.33Å; V1350-T1352 PolarHBondContact O-N 3.09Å; V1350-T1352 VanDerWaalsContact O-N 3.12Å | ||
| 1351 | T | 25.6 | Very low | 28.2 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | trans | -75.5 | 97.9 | 162.7 | 34.9 | 0 | 0 | 0 | 0 | 105.7 | T1349 T1353 | T1349-T1351 PolarHBondContact O-N 3.06Å; T1349-T1351 PolarHBondContact O-OG1 3.11Å; T1349-T1351 VanDerWaalsContact O-OG1 3.08Å; T1351-T1353 VanDerWaalsContact C-N 3.25Å; T1351-T1353 PolarHBondContact O-N 3.05Å; T1351-T1353 PolarHBondContact O-OG1 3.19Å | ||
| 1352 | T | 24.7 | Very low | 27.9 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 77% | 0.767 | 74% | 0.735 | S | S | * | * | trans | -58.6 | 77.9 | 166.9 | 37.3 | 0 | 0 | 0 | 0 | 109.5 | V1350 N1354 | V1350-T1352 VanDerWaalsContact C-N 3.3Å; V1350-T1352 HydrophobicContact CG1-CG2 4.33Å; V1350-T1352 PolarHBondContact O-N 3.09Å; V1350-T1352 VanDerWaalsContact O-N 3.12Å; T1352-N1354 VanDerWaalsContact C-N 3.29Å; T1352-N1354 PolarHBondContact O-N 3.3Å | ||
| 1353 | T | 28.4 | Very low | 27.3 | Very low | 114.6 Ų | 114.6 | 128 Ų | 128 | 70% | 0.703 | 74% | 0.743 | S | S | * | * | trans | -99.3 | 94.3 | 161.3 | 12.4 | 0 | 0 | 0 | 0 | 107.3 | T1351 N1355 | T1351-T1353 VanDerWaalsContact C-N 3.25Å; T1351-T1353 PolarHBondContact O-N 3.05Å; T1351-T1353 PolarHBondContact O-OG1 3.19Å; T1353-N1355 VanDerWaalsContact C-N 3.35Å; T1353-N1355 PolarHBondContact O-N 3.14Å | ||
| 1354 | N | 26.3 | Very low | 26.9 | Very low | 146 Ų | 146 | 127 Ų | 127 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | trans | -46.9 | 100.9 | 165.5 | -83.5 | -19.9 | 0 | 0 | 0 | 109.9 | T1352 | T1352-N1354 VanDerWaalsContact C-N 3.29Å; T1352-N1354 PolarHBondContact O-N 3.3Å | ||
| 1355 | N | 29.3 | Very low | 26.7 | Very low | 149.4 Ų | 149.4 | 127.9 Ų | 127.9 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | trans | -127.6 | 85.3 | 158.8 | -94.3 | -17.4 | 0 | 0 | 0 | 108.1 | T1353 N1357 | T1353-N1355 VanDerWaalsContact C-N 3.35Å; T1353-N1355 PolarHBondContact O-N 3.14Å; N1355-N1357 VanDerWaalsContact C-N 3.28Å; N1355-N1357 PolarHBondContact O-N 3.06Å; N1355-N1357 VanDerWaalsContact O-N 3.17Å | ||
| 1356 | N | 27.4 | Very low | 26.8 | Very low | 147 Ų | 147 | 125.5 Ų | 125.5 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | trans | -56.7 | 102.5 | 158.1 | -69.9 | -23.6 | 0 | 0 | 0 | 108.1 | ||||
| 1357 | N | 30.6 | Very low | 26.8 | Very low | 140.8 Ų | 140.8 | 128.5 Ų | 128.5 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | trans | -156.5 | 105.9 | 153.6 | -92.1 | -27.3 | 0 | 0 | 0 | 110.3 | N1355 S1359 | N1355-N1357 VanDerWaalsContact C-N 3.28Å; N1355-N1357 PolarHBondContact O-N 3.06Å; N1355-N1357 VanDerWaalsContact O-N 3.17Å; N1357-S1359 PolarHBondContact O-N 2.99Å; N1357-S1359 VanDerWaalsContact O-N 3.16Å | ||
| 1358 | T | 27.5 | Very low | 27.2 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | 42.6 | 113.9 | 141.3 | 51.1 | 0 | 0 | 0 | 0 | 117.9 | N1360 | T1358-N1360 PolarHBondContact O-N 3.31Å; T1358-N1360 VanDerWaalsContact O-N 3.16Å | ||
| 1359 | S | 28.2 | Very low | 27.4 | Very low | 105.8 Ų | 105.8 | 129 Ų | 129 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | trans | 74.4 | 95.9 | 142.3 | 60.8 | 0 | 0 | 0 | 0 | 116.4 | N1357 T1361 | N1357-S1359 PolarHBondContact O-N 2.99Å; N1357-S1359 VanDerWaalsContact O-N 3.16Å; S1359-T1361 PolarHBondContact O-N 3.18Å | ||
| 1360 | N | 24.1 | Very low | 28 | Very low | 160.2 Ų | 160.2 | 125.3 Ų | 125.3 | 86% | 0.857 | 72% | 0.722 | S | S | * | * | trans | -47.2 | 104.4 | 157.4 | -71.2 | -20.1 | 0 | 0 | 0 | 112 | T1358 | T1358-N1360 PolarHBondContact O-N 3.31Å; T1358-N1360 VanDerWaalsContact O-N 3.16Å | ||
| 1361 | T | 25.4 | Very low | 28.7 | Very low | 118.8 Ų | 118.8 | 120.4 Ų | 120.4 | 73% | 0.729 | 70% | 0.697 | S | S | * | * | trans | -102.8 | 108 | 148.1 | 46.5 | 0 | 0 | 0 | 0 | 108.2 | S1359 S1363 | S1359-T1361 PolarHBondContact O-N 3.18Å; T1361-S1363 VanDerWaalsContact C-N 3.3Å; T1361-S1363 PolarHBondContact O-N 3.42Å | ||
| 1362 | V | 25.8 | Very low | 29.7 | Very low | 143.2 Ų | 143.2 | 118.1 Ų | 118.1 | 87% | 0.868 | 68% | 0.684 | S | S | * | * | trans | -67.6 | 77.8 | 170 | -178.2 | 0 | 0 | 0 | 0 | 107.3 | G1364 | V1362-G1364 VanDerWaalsContact C-N 3.31Å; V1362-G1364 PolarHBondContact O-N 3.33Å; V1362-G1364 VanDerWaalsContact O-N 3.1Å | ||
| 1363 | S | 26 | Very low | 30.9 | Very low | 93.2 Ų | 93.2 | 113.4 Ų | 113.4 | 65% | 0.652 | 65% | 0.654 | S | S | * | * | trans | -80.6 | 93.8 | 165.6 | -89 | 0 | 0 | 0 | 0 | 106.8 | T1361 N1365 | T1361-S1363 VanDerWaalsContact C-N 3.3Å; T1361-S1363 PolarHBondContact O-N 3.42Å; S1363-N1365 PolarHBondContact O-N 2.92Å | ||
| 1364 | G | 23.7 | Very low | 31.9 | Very low | 66.6 Ų | 66.6 | 108.6 Ų | 108.6 | 69% | 0.687 | 62% | 0.624 | S | S | * | * | trans | -66.9 | 65.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1362 H1366 | V1362-G1364 VanDerWaalsContact C-N 3.31Å; V1362-G1364 PolarHBondContact O-N 3.33Å; V1362-G1364 VanDerWaalsContact O-N 3.1Å; G1364-H1366 PolarHBondContact O-N 3.14Å; G1364-H1366 VanDerWaalsContact O-N 3.1Å | ||
| 1365 | N | 25.8 | Very low | 33 | Very low | 132.4 Ų | 132.4 | 106.5 Ų | 106.5 | 71% | 0.708 | 61% | 0.613 | S | S | * | * | trans | -94.3 | 65.7 | 164.6 | -70.2 | 2.4 | 0 | 0 | 0 | 107.8 | S1363 E1367 | S1363-N1365 PolarHBondContact O-N 2.92Å; N1365-E1367 HydrophobicContact CB-CG 4.44Å; N1365-E1367 PolarHBondContact O-N 3.16Å; N1365-E1367 VanDerWaalsContact O-N 3.09Å | ||
| 1366 | H | 27.4 | Very low | 34.2 | Very low | 170.4 Ų | 170.4 | 105.9 Ų | 105.9 | 79% | 0.789 | 60% | 0.603 | S | S | * | * | trans | -74.5 | 74.1 | 161.7 | -126.7 | -52.4 | 0 | 0 | 0 | 106.7 | G1364 L1368 | G1364-H1366 PolarHBondContact O-N 3.14Å; G1364-H1366 VanDerWaalsContact O-N 3.1Å; H1366-L1368 VanDerWaalsContact C-N 3.26Å; H1366-L1368 PolarHBondContact O-N 3.11Å; H1366-L1368 VanDerWaalsContact O-N 3.14Å | ||
| 1367 | E | 29.4 | Very low | 35.5 | Very low | 157 Ų | 157 | 100.1 Ų | 100.1 | 73% | 0.734 | 57% | 0.572 | S | S | * | * | trans | -55.8 | 123.8 | 167.7 | -73.9 | -178.6 | 160.8 | 0 | 0 | 107.2 | N1365 N1369 | N1365-E1367 HydrophobicContact CB-CG 4.44Å; N1365-E1367 PolarHBondContact O-N 3.16Å; N1365-E1367 VanDerWaalsContact O-N 3.09Å; E1367-N1369 PolarHBondContact O-N 3.21Å | ||
| 1368 | L | 32.2 | Very low | 36.6 | Very low | 142.6 Ų | 142.6 | 96.6 Ų | 96.6 | 75% | 0.747 | 56% | 0.559 | S | S | * | * | trans | -67.3 | 66.8 | -178.3 | -76.4 | 135.5 | 0 | 0 | 0 | 109.7 | E996 H1366 V1370 | E996-L1368 WeakPolarHBondContact OE2-CD1 3.29Å; H1366-L1368 VanDerWaalsContact C-N 3.26Å; H1366-L1368 PolarHBondContact O-N 3.11Å; H1366-L1368 VanDerWaalsContact O-N 3.14Å; L1368-V1370 VanDerWaalsContact C-N 3.32Å; L1368-V1370 PolarHBondContact O-N 2.97Å; L1368-V1370 VanDerWaalsContact O-N 3.14Å | ||
| 1369 | N | 34.2 | Very low | 38 | Very low | 121.6 Ų | 121.6 | 91.2 Ų | 91.2 | 65% | 0.65 | 52% | 0.524 | S | S | * | . | trans | -65.4 | 114.8 | 179.6 | -130.9 | -18.6 | 0 | 0 | 0 | 107.7 | E1367 G1371 C1372 | E1367-N1369 PolarHBondContact O-N 3.21Å; N1369-G1371 PolarHBondContact O-N 3.22Å; N1369-C1372 VanDerWaalsContact O-CB 3.26Å; N1369-C1372 WeakPolarHBondContact O-CB 3.43Å; N1369-C1372 PolarHBondContact O-N 3.26Å | ||
| 1370 | V | 39.6 | Very low | 39.1 | Very low | 42.8 Ų | 42.8 | 89.7 Ų | 89.7 | 26% | 0.259 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -22.4 | 178 | 178 | 0 | 0 | 0 | 0 | 111.6 | E996 E997 R1087 T1090 L1368 C1372 L1373 I1374 | E996-V1370 HydrophobicContact CB-CG2 4.09Å; E997-V1370 HydrophobicContact CG-CG1 4.45Å; R1087-V1370 HydrophobicContact CB-CG1 4.48Å; R1087-V1370 HydrophobicContact CG-CG1 4.3Å; R1087-V1370 HydrophobicContact CG-CG2 4.41Å; T1090-V1370 HydrophobicContact CG2-CG1 4Å; L1368-V1370 VanDerWaalsContact C-N 3.32Å; L1368-V1370 PolarHBondContact O-N 2.97Å; L1368-V1370 VanDerWaalsContact O-N 3.14Å; V1370-C1372 VanDerWaalsContact C-N 3.3Å; V1370-C1372 PolarHBondContact O-N 3.13Å; V1370-L1373 VanDerWaalsContact O-CB 3.24Å; V1370-L1373 WeakPolarHBondContact O-CB 3.35Å; V1370-L1373 PolarHBondContact O-N 3.26Å; V1370-L1373 VanDerWaalsContact O-N 3.11Å; V1370-I1374 HydrophobicContact CG1-CD1 4.02Å; V1370-I1374 WeakPolarHBondContact O-CG1 3.41Å; V1370-I1374 PolarHBondContact O-N 2.88Å |
| 1371 | G | 40.9 | Very low | 40.3 | Very low | 19.8 Ų | 19.8 | 84.6 Ų | 84.6 | 20% | 0.204 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -56.5 | -35.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115 | N1369 L1373 I1374 D1375 | N1369-G1371 PolarHBondContact O-N 3.22Å; G1371-L1373 VanDerWaalsContact C-N 3.31Å; G1371-L1373 CarbonylContact O-C 3.48Å; G1371-L1373 PolarHBondContact O-N 3.08Å; G1371-L1373 VanDerWaalsContact O-N 3.14Å; G1371-I1374 CarbonylContact O-C 3.59Å; G1371-I1374 PolarHBondContact O-N 2.97Å; G1371-I1374 VanDerWaalsContact O-N 3.12Å; G1371-D1375 VanDerWaalsContact C-CG 3.42Å; G1371-D1375 VanDerWaalsContact CA-CG 3.5Å; G1371-D1375 WeakPolarHBondContact CA-OD1 3.36Å; G1371-D1375 VanDerWaalsContact CA-OD2 3.24Å; G1371-D1375 WeakPolarHBondContact CA-OD2 3.44Å; G1371-D1375 WeakPolarHBondContact O-CA 3.35Å; G1371-D1375 VanDerWaalsContact O-CB 3.25Å; G1371-D1375 WeakPolarHBondContact O-CB 3.17Å; G1371-D1375 PolarHBondContact O-N 3.07Å; G1371-D1375 VanDerWaalsContact O-N 3.13Å; G1371-D1375 VanDerWaalsContact O-OD2 3.07Å |
| 1372 | C | 47.7 | Very low | 41.7 | Very low | 60.4 Ų | 60.4 | 79.5 Ų | 79.5 | 41% | 0.408 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.9 | -29.7 | -174.7 | -173.5 | 0 | 0 | 0 | 0 | 113.9 | N1369 V1370 D1375 K1376 | N1369-C1372 VanDerWaalsContact O-CB 3.26Å; N1369-C1372 WeakPolarHBondContact O-CB 3.43Å; N1369-C1372 PolarHBondContact O-N 3.26Å; V1370-C1372 VanDerWaalsContact C-N 3.3Å; V1370-C1372 PolarHBondContact O-N 3.13Å; C1372-D1375 PolarHBondContact O-N 2.62Å; C1372-K1376 VanDerWaalsContact O-CB 3.27Å; C1372-K1376 WeakPolarHBondContact O-CB 3.34Å; C1372-K1376 WeakPolarHBondContact O-CD 3.42Å; C1372-K1376 WeakPolarHBondContact O-CE 3.35Å; C1372-K1376 VanDerWaalsContact O-CG 3.25Å; C1372-K1376 WeakPolarHBondContact O-CG 3.42Å; C1372-K1376 PolarHBondContact O-N 3.17Å; C1372-K1376 PolarHBondContact O-NZ 2.96Å; C1372-K1376 WeakPolarHBondContact SG-CE 3.28Å; C1372-K1376 PolarHBondContact SG-NZ 3.09Å |
| 1373 | L | 48 | Very low | 43.2 | Very low | 25.2 Ų | 25.2 | 76 Ų | 76 | 13% | 0.132 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -79.9 | -38.5 | 174.5 | -139.5 | 106.6 | 0 | 0 | 0 | 112.4 | P998 R1006 L1009 E1010 R1013 T1090 L1094 V1370 G1371 D1375 K1376 L1377 | P998-L1373 HydrophobicContact CG-CD2 4.21Å; R1006-L1373 HydrophobicContact CB-CD2 4.1Å; R1006-L1373 HydrophobicContact CG-CB 3.99Å; R1006-L1373 HydrophobicContact CG-CD1 4.31Å; R1006-L1373 HydrophobicContact CG-CD2 3.87Å; R1006-L1373 HydrophobicContact CG-CG 4.49Å; R1006-L1373 WeakPolarHBondContact O-CD2 3.32Å; L1009-L1373 HydrophobicContact CB-CD2 4.23Å; E1010-L1373 HydrophobicContact CB-CD2 4.3Å; E1010-L1373 HydrophobicContact CG-CB 4.29Å; E1010-L1373 HydrophobicContact CG-CD1 3.68Å; E1010-L1373 HydrophobicContact CG-CD2 3.68Å; E1010-L1373 HydrophobicContact CG-CG 4.11Å; E1010-L1373 WeakPolarHBondContact OE1-CB 3.38Å; R1013-L1373 VanDerWaalsContact NH1-CD1 3.28Å; T1090-L1373 HydrophobicContact CG2-CD2 4.23Å; L1094-L1373 HydrophobicContact CD1-CD2 3.75Å; L1094-L1373 HydrophobicContact CD2-CD2 4.22Å; L1094-L1373 HydrophobicContact CG-CD2 4.47Å; V1370-L1373 VanDerWaalsContact O-CB 3.24Å; V1370-L1373 WeakPolarHBondContact O-CB 3.35Å; V1370-L1373 PolarHBondContact O-N 3.26Å; V1370-L1373 VanDerWaalsContact O-N 3.11Å; G1371-L1373 VanDerWaalsContact C-N 3.31Å; G1371-L1373 CarbonylContact O-C 3.48Å; G1371-L1373 PolarHBondContact O-N 3.08Å; G1371-L1373 VanDerWaalsContact O-N 3.14Å; L1373-D1375 VanDerWaalsContact C-N 3.3Å; L1373-D1375 PolarHBondContact O-N 3.11Å; L1373-K1376 CarbonylContact O-C 3.52Å; L1373-K1376 PolarHBondContact O-N 3.01Å; L1373-K1376 VanDerWaalsContact O-N 3.12Å; L1373-L1377 HydrophobicContact CD2-CD1 3.97Å; L1373-L1377 HydrophobicContact CD2-CG 4.49Å; L1373-L1377 HydrophobicContact CG-CD1 3.96Å; L1373-L1377 HydrophobicContact CG-CG 4.15Å; L1373-L1377 WeakPolarHBondContact O-CA 3.48Å; L1373-L1377 VanDerWaalsContact O-CB 3.31Å; L1373-L1377 WeakPolarHBondContact O-CB 3.4Å; L1373-L1377 VanDerWaalsContact O-CG 3.31Å; L1373-L1377 WeakPolarHBondContact O-CG 3.33Å; L1373-L1377 PolarHBondContact O-N 3.17Å |
| 1374 | I | 50.3 | Low | 44.8 | Very low | 15.2 Ų | 15.2 | 73.3 Ų | 73.3 | 8% | 0.078 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 177.9 | -62.6 | 172 | 0 | 0 | 0 | 109.9 | P998 L1086 T1090 L1094 V1370 G1371 L1377 S1378 Y1379 T1380 | P998-I1374 HydrophobicContact CG-CD1 4.21Å; L1086-I1374 HydrophobicContact CD1-CD1 3.85Å; L1086-I1374 HydrophobicContact CD2-CD1 3.95Å; L1086-I1374 HydrophobicContact CG-CD1 3.77Å; T1090-I1374 HydrophobicContact CG2-CD1 4.09Å; T1090-I1374 HydrophobicContact CG2-CG1 3.84Å; T1090-I1374 HydrophobicContact CG2-CG2 3.64Å; T1090-I1374 WeakPolarHBondContact OG1-CD1 3.19Å; T1090-I1374 WeakPolarHBondContact OG1-CG1 3.36Å; L1094-I1374 HydrophobicContact CD1-CD1 4.28Å; L1094-I1374 HydrophobicContact CD1-CG1 4.43Å; V1370-I1374 HydrophobicContact CG1-CD1 4.02Å; V1370-I1374 WeakPolarHBondContact O-CG1 3.41Å; V1370-I1374 PolarHBondContact O-N 2.88Å; G1371-I1374 CarbonylContact O-C 3.59Å; G1371-I1374 PolarHBondContact O-N 2.97Å; G1371-I1374 VanDerWaalsContact O-N 3.12Å; I1374-L1377 CarbonylContact O-C 3.54Å; I1374-L1377 PolarHBondContact O-N 3.07Å; I1374-S1378 CarbonylContact O-C 3.54Å; I1374-S1378 WeakPolarHBondContact O-CA 3.35Å; I1374-S1378 PolarHBondContact O-N 3.07Å; I1374-Y1379 VanDerWaalsContact CG2-C 3.44Å; I1374-Y1379 HydrophobicContact CG2-CD2 4.46Å; I1374-Y1379 PolarHBondContact O-N 2.99Å; I1374-T1380 HydrophobicContact CB-CG2 4.17Å; I1374-T1380 VanDerWaalsContact CG2-CA 3.48Å; I1374-T1380 HydrophobicContact CG2-CG2 3.29Å; I1374-T1380 VanDerWaalsContact CG2-N 3.26Å |
| 1375 | D | 50.1 | Low | 46.8 | Very low | 101.2 Ų | 101.2 | 74.5 Ų | 74.5 | 54% | 0.541 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 174.4 | -65 | -27.4 | 0 | 0 | 0 | 111.7 | G1371 C1372 L1373 L1377 S1378 T1380 | G1371-D1375 VanDerWaalsContact C-CG 3.42Å; G1371-D1375 VanDerWaalsContact CA-CG 3.5Å; G1371-D1375 WeakPolarHBondContact CA-OD1 3.36Å; G1371-D1375 VanDerWaalsContact CA-OD2 3.24Å; G1371-D1375 WeakPolarHBondContact CA-OD2 3.44Å; G1371-D1375 WeakPolarHBondContact O-CA 3.35Å; G1371-D1375 VanDerWaalsContact O-CB 3.25Å; G1371-D1375 WeakPolarHBondContact O-CB 3.17Å; G1371-D1375 PolarHBondContact O-N 3.07Å; G1371-D1375 VanDerWaalsContact O-N 3.13Å; G1371-D1375 VanDerWaalsContact O-OD2 3.07Å; C1372-D1375 PolarHBondContact O-N 2.62Å; L1373-D1375 VanDerWaalsContact C-N 3.3Å; L1373-D1375 PolarHBondContact O-N 3.11Å; D1375-L1377 VanDerWaalsContact C-N 3.31Å; D1375-L1377 PolarHBondContact O-N 2.73Å; D1375-S1378 WeakPolarHBondContact O-CA 3.27Å; D1375-S1378 PolarHBondContact O-N 3.28Å; D1375-S1378 VanDerWaalsContact O-N 3.12Å; D1375-T1380 WeakPolarHBondContact OD1-CB 3.28Å; D1375-T1380 WeakPolarHBondContact OD1-CG2 3.39Å; D1375-T1380 PolarHBondContact OD1-OG1 3.41Å |
| 1376 | K | 53.6 | Low | 49.4 | Very low | 136.4 Ų | 136.4 | 70.5 Ų | 70.5 | 59% | 0.593 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.4 | -33.6 | 176.2 | -79.1 | 175.5 | -178.5 | 174.5 | 0 | 113.5 | C1372 L1373 S1378 | C1372-K1376 VanDerWaalsContact O-CB 3.27Å; C1372-K1376 WeakPolarHBondContact O-CB 3.34Å; C1372-K1376 WeakPolarHBondContact O-CD 3.42Å; C1372-K1376 WeakPolarHBondContact O-CE 3.35Å; C1372-K1376 VanDerWaalsContact O-CG 3.25Å; C1372-K1376 WeakPolarHBondContact O-CG 3.42Å; C1372-K1376 PolarHBondContact O-N 3.17Å; C1372-K1376 PolarHBondContact O-NZ 2.96Å; C1372-K1376 WeakPolarHBondContact SG-CE 3.28Å; C1372-K1376 PolarHBondContact SG-NZ 3.09Å; L1373-K1376 CarbonylContact O-C 3.52Å; L1373-K1376 PolarHBondContact O-N 3.01Å; L1373-K1376 VanDerWaalsContact O-N 3.12Å; K1376-S1378 VanDerWaalsContact C-N 3.31Å |
| 1377 | L | 54.1 | Low | 52.3 | Low | 24.6 Ų | 24.6 | 64.4 Ų | 64.4 | 13% | 0.129 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -4.9 | 175.1 | -69.2 | 167.7 | 0 | 0 | 0 | 112 | L1009 R1013 L1094 L1373 I1374 D1375 Y1379 F1384 | L1009-L1377 HydrophobicContact CD1-CD1 4.29Å; R1013-L1377 VanDerWaalsContact CZ-CD2 3.44Å; R1013-L1377 PolarHBondContact NH2-O 2.69Å; L1094-L1377 HydrophobicContact CD2-CD1 3.86Å; L1373-L1377 HydrophobicContact CD2-CD1 3.97Å; L1373-L1377 HydrophobicContact CD2-CG 4.49Å; L1373-L1377 HydrophobicContact CG-CD1 3.96Å; L1373-L1377 HydrophobicContact CG-CG 4.15Å; L1373-L1377 WeakPolarHBondContact O-CA 3.48Å; L1373-L1377 VanDerWaalsContact O-CB 3.31Å; L1373-L1377 WeakPolarHBondContact O-CB 3.4Å; L1373-L1377 VanDerWaalsContact O-CG 3.31Å; L1373-L1377 WeakPolarHBondContact O-CG 3.33Å; L1373-L1377 PolarHBondContact O-N 3.17Å; I1374-L1377 CarbonylContact O-C 3.54Å; I1374-L1377 PolarHBondContact O-N 3.07Å; D1375-L1377 VanDerWaalsContact C-N 3.31Å; D1375-L1377 PolarHBondContact O-N 2.73Å; L1377-Y1379 VanDerWaalsContact C-N 3.29Å; L1377-Y1379 HydrophobicContact CB-CD2 3.8Å; L1377-Y1379 VanDerWaalsContact CB-CD2 3.49Å; L1377-Y1379 HydrophobicContact CB-CE1 4.5Å; L1377-Y1379 HydrophobicContact CB-CE2 3.46Å; L1377-Y1379 HydrophobicContact CB-CG 4.35Å; L1377-Y1379 HydrophobicContact CD1-CD2 4.38Å; L1377-Y1379 HydrophobicContact CD1-CE2 3.75Å; L1377-Y1379 HydrophobicContact CD2-CE2 4.4Å; L1377-Y1379 HydrophobicContact CG-CE2 4.08Å; L1377-Y1379 PolarHBondContact O-N 3.23Å; L1377-Y1379 VanDerWaalsContact O-N 3.1Å; L1377-F1384 WeakPolarHBondContact O-CE1 3.37Å; L1377-F1384 VanDerWaalsContact O-CZ 3.29Å; L1377-F1384 WeakPolarHBondContact O-CZ 3.45Å |
| 1378 | S | 54.7 | Low | 55.1 | Low | 67.4 Ų | 67.4 | 57.3 Ų | 57.3 | 47% | 0.471 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 36.6 | 174 | -90.7 | 0 | 0 | 0 | 0 | 115.2 | I1374 D1375 K1376 T1380 G1381 F1384 | I1374-S1378 CarbonylContact O-C 3.54Å; I1374-S1378 WeakPolarHBondContact O-CA 3.35Å; I1374-S1378 PolarHBondContact O-N 3.07Å; D1375-S1378 WeakPolarHBondContact O-CA 3.27Å; D1375-S1378 PolarHBondContact O-N 3.28Å; D1375-S1378 VanDerWaalsContact O-N 3.12Å; K1376-S1378 VanDerWaalsContact C-N 3.31Å; S1378-T1380 PolarHBondContact O-N 2.84Å; S1378-G1381 PolarHBondContact O-N 3.04Å; S1378-G1381 VanDerWaalsContact O-N 3.15Å; S1378-F1384 WeakPolarHBondContact O-CE1 3.43Å |
| 1379 | Y | 56.6 | Low | 57.8 | Low | 9.6 Ų | 9.6 | 52.5 Ų | 52.5 | 4% | 0.038 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -9.8 | 177.4 | -61.3 | -59.1 | 0 | 0 | 0 | 114.3 | T1090 C1093 L1094 H1097 S1130 I1374 L1377 G1381 G1382 F1384 | T1090-Y1379 HydrophobicContact CG2-CD2 4.23Å; C1093-Y1379 HydrophobicContact CB-CD1 3.67Å; C1093-Y1379 HydrophobicContact CB-CD2 4.37Å; C1093-Y1379 HydrophobicContact CB-CE1 3.76Å; C1093-Y1379 HydrophobicContact CB-CE2 4.43Å; C1093-Y1379 HydrophobicContact CB-CG 4.07Å; L1094-Y1379 HydrophobicContact CD2-CE2 3.83Å; L1094-Y1379 HydrophobicContact CG-CD2 4.48Å; L1094-Y1379 HydrophobicContact CG-CE2 3.94Å; H1097-Y1379 WeakPolarHBondContact CB-OH 3.34Å; H1097-Y1379 PolarHBondContact CE1-OH 3.18Å; H1097-Y1379 VanDerWaalsContact CE1-OH 3.25Å; H1097-Y1379 AromaticContact ND1-CE1 3.67Å; H1097-Y1379 AromaticContact ND1-CZ 3.63Å; H1097-Y1379 PolarHBondContact ND1-OH 3.09Å; S1130-Y1379 VanDerWaalsContact CB-O 3.29Å; S1130-Y1379 WeakPolarHBondContact CB-O 3.4Å; S1130-Y1379 PolarHBondContact OG-O 3.42Å; S1130-Y1379 VanDerWaalsContact OG-O 3.13Å; I1374-Y1379 VanDerWaalsContact CG2-C 3.44Å; I1374-Y1379 HydrophobicContact CG2-CD2 4.46Å; I1374-Y1379 PolarHBondContact O-N 2.99Å; L1377-Y1379 VanDerWaalsContact C-N 3.29Å; L1377-Y1379 HydrophobicContact CB-CD2 3.8Å; L1377-Y1379 VanDerWaalsContact CB-CD2 3.49Å; L1377-Y1379 HydrophobicContact CB-CE1 4.5Å; L1377-Y1379 HydrophobicContact CB-CE2 3.46Å; L1377-Y1379 HydrophobicContact CB-CG 4.35Å; L1377-Y1379 HydrophobicContact CD1-CD2 4.38Å; L1377-Y1379 HydrophobicContact CD1-CE2 3.75Å; L1377-Y1379 HydrophobicContact CD2-CE2 4.4Å; L1377-Y1379 HydrophobicContact CG-CE2 4.08Å; L1377-Y1379 PolarHBondContact O-N 3.23Å; L1377-Y1379 VanDerWaalsContact O-N 3.1Å; Y1379-G1381 VanDerWaalsContact C-N 3.32Å; Y1379-G1381 PolarHBondContact O-N 3.3Å; Y1379-G1382 PolarHBondContact O-N 3.06Å; Y1379-G1382 VanDerWaalsContact O-N 3.17Å; Y1379-F1384 VanDerWaalsContact CA-CZ 3.46Å; Y1379-F1384 HydrophobicContact CD1-CE1 4.48Å; Y1379-F1384 AromaticContact CD1-CE2 3.58Å; Y1379-F1384 HydrophobicContact CD1-CE2 3.58Å; Y1379-F1384 AromaticContact CD1-CZ 3.26Å; Y1379-F1384 HydrophobicContact CD1-CZ 3.26Å; Y1379-F1384 HydrophobicContact CE1-CE2 4.08Å; Y1379-F1384 AromaticContact CE1-CZ 3.86Å; Y1379-F1384 HydrophobicContact CE1-CZ 3.86Å; Y1379-F1384 AromaticContact CG-CZ 3.97Å; Y1379-F1384 HydrophobicContact CG-CZ 3.97Å |
| 1380 | T | 50.6 | Low | 60.5 | Low | 74.8 Ų | 74.8 | 46.7 Ų | 46.7 | 46% | 0.459 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -26.8 | -176 | 39.7 | 0 | 0 | 0 | 0 | 113.6 | L1086 I1374 D1375 S1378 | L1086-T1380 HydrophobicContact CD1-CG2 3.93Å; L1086-T1380 VanDerWaalsContact CD1-CG2 3.47Å; L1086-T1380 HydrophobicContact CD2-CG2 3.8Å; L1086-T1380 HydrophobicContact CG-CG2 3.64Å; I1374-T1380 HydrophobicContact CB-CG2 4.17Å; I1374-T1380 VanDerWaalsContact CG2-CA 3.48Å; I1374-T1380 HydrophobicContact CG2-CG2 3.29Å; I1374-T1380 VanDerWaalsContact CG2-N 3.26Å; D1375-T1380 WeakPolarHBondContact OD1-CB 3.28Å; D1375-T1380 WeakPolarHBondContact OD1-CG2 3.39Å; D1375-T1380 PolarHBondContact OD1-OG1 3.41Å; S1378-T1380 PolarHBondContact O-N 2.84Å |
| 1381 | G | 50.5 | Low | 63.1 | Low | 53.6 Ų | 53.6 | 44.7 Ų | 44.7 | 55% | 0.553 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -103.6 | 7.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1378 Y1379 | S1378-G1381 PolarHBondContact O-N 3.04Å; S1378-G1381 VanDerWaalsContact O-N 3.15Å; Y1379-G1381 VanDerWaalsContact C-N 3.32Å; Y1379-G1381 PolarHBondContact O-N 3.3Å |
| 1382 | G | 55.3 | Low | 65.6 | Low | 10.8 Ų | 10.8 | 45 Ų | 45 | 11% | 0.111 | 27% | 0.265 | C | S | . | . | trans | 85.8 | 164.2 | -164.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1130 D1133 E1339 Y1379 F1384 | S1130-G1382 PolarHBondContact OG-O 3.06Å; D1133-G1382 VanDerWaalsContact OD2-C 3.27Å; D1133-G1382 VanDerWaalsContact OD2-CA 3.22Å; D1133-G1382 WeakPolarHBondContact OD2-CA 3.35Å; E1339-G1382 VanDerWaalsContact OE2-CA 3.23Å; E1339-G1382 WeakPolarHBondContact OE2-CA 3.42Å; Y1379-G1382 PolarHBondContact O-N 3.06Å; Y1379-G1382 VanDerWaalsContact O-N 3.17Å; G1382-F1384 VanDerWaalsContact C-N 3.32Å; G1382-F1384 PolarHBondContact O-N 3.32Å | ||
| 1383 | M | 56.8 | Low | 67.7 | Low | 69.8 Ų | 69.8 | 44.2 Ų | 44.2 | 34% | 0.344 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -75.1 | -18.3 | 177.9 | -169.9 | 174.5 | 70.5 | 0 | 0 | 111.4 | A1129 R1132 D1133 L1137 E1339 S1385 Y1387 | A1129-M1383 HydrophobicContact CB-CB 3.84Å; A1129-M1383 HydrophobicContact CB-CG 3.88Å; A1129-M1383 HydrophobicContact CB-SD 4.49Å; R1132-M1383 VanDerWaalsContact NH2-CG 3.3Å; R1132-M1383 PolarHBondContact NH2-SD 2.74Å; D1133-M1383 HydrophobicContact CB-CB 3.85Å; D1133-M1383 HydrophobicContact CB-CE 4.32Å; D1133-M1383 PolarHBondContact OD2-N 3.1Å; L1137-M1383 HydrophobicContact CB-CE 4.1Å; L1137-M1383 HydrophobicContact CD1-CE 4.33Å; L1137-M1383 HydrophobicContact CD2-CE 4.2Å; L1137-M1383 HydrophobicContact CD2-SD 4.24Å; L1137-M1383 HydrophobicContact CG-CE 4.31Å; E1339-M1383 PolarHBondContact OE2-N 3.47Å; M1383-S1385 VanDerWaalsContact C-N 3.33Å; M1383-S1385 VanDerWaalsContact CG-O 3.23Å; M1383-S1385 WeakPolarHBondContact CG-O 3.36Å; M1383-S1385 PolarHBondContact O-N 2.88Å; M1383-Y1387 HydrophobicContact CE-CD1 3.97Å; M1383-Y1387 HydrophobicContact CE-CD2 4.06Å; M1383-Y1387 HydrophobicContact CE-CE1 3.85Å; M1383-Y1387 HydrophobicContact CE-CE2 3.93Å; M1383-Y1387 HydrophobicContact CE-CG 4.08Å; M1383-Y1387 HydrophobicContact SD-CD1 4.11Å; M1383-Y1387 HydrophobicContact SD-CE1 3.73Å |
| 1384 | F | 59.6 | Low | 70.1 | Confident | 38 Ų | 38 | 43 Ų | 43 | 17% | 0.167 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -86.4 | 107.7 | 173.6 | -57.6 | -55.3 | 0 | 0 | 0 | 110.3 | S1130 D1133 L1136 L1377 S1378 Y1379 G1382 D1386 L1390 K1393 | S1130-F1384 VanDerWaalsContact CA-CE2 3.46Å; D1133-F1384 HydrophobicContact CB-CB 4.28Å; D1133-F1384 HydrophobicContact CB-CD2 3.91Å; D1133-F1384 HydrophobicContact CB-CE2 3.77Å; D1133-F1384 HydrophobicContact CB-CZ 4.49Å; D1133-F1384 WeakPolarHBondContact OD1-CD2 3.33Å; D1133-F1384 VanDerWaalsContact OD2-CB 3.32Å; D1133-F1384 WeakPolarHBondContact OD2-CB 3.46Å; D1133-F1384 WeakPolarHBondContact OD2-CD2 3.4Å; D1133-F1384 PolarHBondContact OD2-N 3.24Å; L1136-F1384 HydrophobicContact CB-CE2 4.4Å; L1136-F1384 HydrophobicContact CD1-CE2 3.99Å; L1377-F1384 WeakPolarHBondContact O-CE1 3.37Å; L1377-F1384 VanDerWaalsContact O-CZ 3.29Å; L1377-F1384 WeakPolarHBondContact O-CZ 3.45Å; S1378-F1384 WeakPolarHBondContact O-CE1 3.43Å; Y1379-F1384 VanDerWaalsContact CA-CZ 3.46Å; Y1379-F1384 HydrophobicContact CD1-CE1 4.48Å; Y1379-F1384 AromaticContact CD1-CE2 3.58Å; Y1379-F1384 HydrophobicContact CD1-CE2 3.58Å; Y1379-F1384 AromaticContact CD1-CZ 3.26Å; Y1379-F1384 HydrophobicContact CD1-CZ 3.26Å; Y1379-F1384 HydrophobicContact CE1-CE2 4.08Å; Y1379-F1384 AromaticContact CE1-CZ 3.86Å; Y1379-F1384 HydrophobicContact CE1-CZ 3.86Å; Y1379-F1384 AromaticContact CG-CZ 3.97Å; Y1379-F1384 HydrophobicContact CG-CZ 3.97Å; G1382-F1384 VanDerWaalsContact C-N 3.32Å; G1382-F1384 PolarHBondContact O-N 3.32Å; F1384-D1386 PolarHBondContact O-N 3.18Å; F1384-D1386 VanDerWaalsContact O-N 3.13Å; F1384-L1390 HydrophobicContact CB-CB 4.36Å; F1384-L1390 HydrophobicContact CD2-CB 4.21Å; F1384-L1390 HydrophobicContact CD2-CD1 3.75Å; F1384-L1390 HydrophobicContact CE2-CD1 4.1Å; F1384-L1390 HydrophobicContact CG-CB 4.37Å; F1384-K1393 HydrophobicContact CE1-CB 4.03Å; F1384-K1393 HydrophobicContact CE1-CD 4.42Å; F1384-K1393 HydrophobicContact CE1-CG 4.2Å; F1384-K1393 HydrophobicContact CE2-CB 4.36Å; F1384-K1393 HydrophobicContact CE2-CG 4.38Å; F1384-K1393 HydrophobicContact CZ-CB 3.78Å; F1384-K1393 HydrophobicContact CZ-CD 4.22Å; F1384-K1393 HydrophobicContact CZ-CG 3.65Å |
| 1385 | S | 65.4 | Low | 72.3 | Confident | 91.4 Ų | 91.4 | 42.3 Ų | 42.3 | 64% | 0.639 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -72.9 | -15.5 | 179.8 | 48.1 | 0 | 0 | 0 | 0 | 113 | D1133 M1383 | D1133-S1385 PolarHBondContact OD1-OG 3.2Å; D1133-S1385 PolarHBondContact OD2-N 2.89Å; D1133-S1385 PolarHBondContact OD2-OG 3.34Å; M1383-S1385 VanDerWaalsContact C-N 3.33Å; M1383-S1385 VanDerWaalsContact CG-O 3.23Å; M1383-S1385 WeakPolarHBondContact CG-O 3.36Å; M1383-S1385 PolarHBondContact O-N 2.88Å |
| 1386 | D | 80.3 | Confident | 74.5 | Confident | 48.8 Ų | 48.8 | 39.7 Ų | 39.7 | 26% | 0.261 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -137.7 | 161.5 | -177 | 62.3 | -32.8 | 0 | 0 | 0 | 112.2 | H1171 F1384 T1388 S1389 L1390 | H1171-D1386 IonicContact CD2-OD2 3.35Å; H1171-D1386 IonicContact CE1-OD2 2.7Å; H1171-D1386 WeakPolarHBondContact NE2-CB 3.25Å; H1171-D1386 IonicContact NE2-OD2 3.52Å; H1171-D1386 PolarHBondContact NE2-OD2 3.02Å; H1171-D1386 VanDerWaalsContact NE2-OD2 3.17Å; F1384-D1386 PolarHBondContact O-N 3.18Å; F1384-D1386 VanDerWaalsContact O-N 3.13Å; D1386-T1388 PolarHBondContact O-N 3.13Å; D1386-T1388 VanDerWaalsContact OD2-CA 3.26Å; D1386-T1388 WeakPolarHBondContact OD2-CA 3.48Å; D1386-T1388 WeakPolarHBondContact OD2-CB 3.35Å; D1386-T1388 PolarHBondContact OD2-N 2.74Å; D1386-T1388 PolarHBondContact OD2-OG1 3.33Å; D1386-S1389 WeakPolarHBondContact O-CA 3.46Å; D1386-S1389 PolarHBondContact O-N 2.95Å; D1386-S1389 VanDerWaalsContact OD1-CB 3.26Å; D1386-S1389 WeakPolarHBondContact OD1-CB 3.45Å; D1386-S1389 PolarHBondContact OD1-N 3.23Å; D1386-S1389 PolarHBondContact OD1-OG 3.2Å; D1386-S1389 PolarHBondContact OD2-N 3.22Å; D1386-S1389 PolarHBondContact OD2-OG 2.88Å; D1386-L1390 PolarHBondContact O-N 3.14Å |
| 1387 | Y | 87.7 | Confident | 76.5 | Confident | 40.4 Ų | 40.4 | 33.2 Ų | 33.2 | 16% | 0.158 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.4 | -22.9 | 179.1 | -67.4 | -57.1 | 0 | 0 | 0 | 113.6 | L1167 W1332 D1336 M1383 L1390 A1391 | L1167-Y1387 HydrophobicContact CB-CD1 3.63Å; L1167-Y1387 HydrophobicContact CB-CE1 4.09Å; L1167-Y1387 HydrophobicContact CB-CG 4.06Å; L1167-Y1387 HydrophobicContact CD1-CD1 4.07Å; L1167-Y1387 HydrophobicContact CD1-CE1 3.93Å; L1167-Y1387 HydrophobicContact CG-CD1 4.42Å; L1167-Y1387 HydrophobicContact CG-CE1 4.42Å; W1332-Y1387 HydrophobicContact CB-CE1 4.45Å; W1332-Y1387 PolarHBondContact O-OH 3.04Å; W1332-Y1387 VanDerWaalsContact O-OH 3.07Å; D1336-Y1387 VanDerWaalsContact CG-OH 3.25Å; D1336-Y1387 PolarHBondContact OD1-OH 2.97Å; D1336-Y1387 VanDerWaalsContact OD1-OH 3.1Å; D1336-Y1387 PolarHBondContact OD2-OH 3.06Å; M1383-Y1387 HydrophobicContact CE-CD1 3.97Å; M1383-Y1387 HydrophobicContact CE-CD2 4.06Å; M1383-Y1387 HydrophobicContact CE-CE1 3.85Å; M1383-Y1387 HydrophobicContact CE-CE2 3.93Å; M1383-Y1387 HydrophobicContact CE-CG 4.08Å; M1383-Y1387 HydrophobicContact SD-CD1 4.11Å; M1383-Y1387 HydrophobicContact SD-CE1 3.73Å; Y1387-L1390 HydrophobicContact CD1-CD2 4.13Å; Y1387-L1390 HydrophobicContact CE1-CD2 4.45Å; Y1387-A1391 WeakPolarHBondContact O-CB 3.36Å; Y1387-A1391 PolarHBondContact O-N 3.18Å; Y1387-A1391 VanDerWaalsContact O-N 3.12Å |
| 1388 | T | 88.1 | Confident | 78.5 | Confident | 8.2 Ų | 8.2 | 32 Ų | 32 | 5% | 0.05 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.2 | -48 | 175.4 | -41.6 | 0 | 0 | 0 | 0 | 111 | H1171 R1174 D1386 L1390 A1391 I1392 D1442 L1445 | H1171-T1388 PolarHBondContact CD2-OG1 2.89Å; R1174-T1388 PolarHBondContact NH2-OG1 3.16Å; D1386-T1388 PolarHBondContact O-N 3.13Å; D1386-T1388 VanDerWaalsContact OD2-CA 3.26Å; D1386-T1388 WeakPolarHBondContact OD2-CA 3.48Å; D1386-T1388 WeakPolarHBondContact OD2-CB 3.35Å; D1386-T1388 PolarHBondContact OD2-N 2.74Å; D1386-T1388 PolarHBondContact OD2-OG1 3.33Å; T1388-L1390 VanDerWaalsContact C-N 3.29Å; T1388-L1390 PolarHBondContact O-N 3.14Å; T1388-A1391 PolarHBondContact O-N 3.09Å; T1388-A1391 VanDerWaalsContact O-N 3.13Å; T1388-I1392 HydrophobicContact CG2-CD1 4.26Å; T1388-I1392 WeakPolarHBondContact O-CB 3.39Å; T1388-I1392 WeakPolarHBondContact O-CG1 3.33Å; T1388-I1392 PolarHBondContact O-N 3.2Å; T1388-D1442 HydrophobicContact CG2-CB 4.19Å; T1388-D1442 VanDerWaalsContact CG2-CG 3.44Å; T1388-D1442 VanDerWaalsContact CG2-OD1 3.25Å; T1388-D1442 WeakPolarHBondContact CG2-OD1 3.39Å; T1388-D1442 WeakPolarHBondContact CG2-OD2 3.33Å; T1388-L1445 HydrophobicContact CG2-CB 4.34Å; T1388-L1445 HydrophobicContact CG2-CD2 4.38Å |
| 1389 | S | 89.2 | Confident | 80.5 | Confident | 42.2 Ų | 42.2 | 33.4 Ų | 33.4 | 30% | 0.295 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.3 | -38.5 | 176.1 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | D1386 I1392 K1393 | D1386-S1389 WeakPolarHBondContact O-CA 3.46Å; D1386-S1389 PolarHBondContact O-N 2.95Å; D1386-S1389 VanDerWaalsContact OD1-CB 3.26Å; D1386-S1389 WeakPolarHBondContact OD1-CB 3.45Å; D1386-S1389 PolarHBondContact OD1-N 3.23Å; D1386-S1389 PolarHBondContact OD1-OG 3.2Å; D1386-S1389 PolarHBondContact OD2-N 3.22Å; D1386-S1389 PolarHBondContact OD2-OG 2.88Å; S1389-I1392 PolarHBondContact O-N 3.07Å; S1389-K1393 WeakPolarHBondContact O-CG 3.47Å; S1389-K1393 PolarHBondContact O-N 3.18Å |
| 1390 | L | 91.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.2 | -49.8 | 171.9 | 175.9 | 67.4 | 0 | 0 | 0 | 111.6 | L1136 L1167 F1384 D1386 Y1387 T1388 I1392 K1393 C1394 | L1136-L1390 HydrophobicContact CD1-CD1 3.29Å; L1167-L1390 HydrophobicContact CD1-CD2 3.95Å; F1384-L1390 HydrophobicContact CB-CB 4.36Å; F1384-L1390 HydrophobicContact CD2-CB 4.21Å; F1384-L1390 HydrophobicContact CD2-CD1 3.75Å; F1384-L1390 HydrophobicContact CE2-CD1 4.1Å; F1384-L1390 HydrophobicContact CG-CB 4.37Å; D1386-L1390 PolarHBondContact O-N 3.14Å; Y1387-L1390 HydrophobicContact CD1-CD2 4.13Å; Y1387-L1390 HydrophobicContact CE1-CD2 4.45Å; T1388-L1390 VanDerWaalsContact C-N 3.29Å; T1388-L1390 PolarHBondContact O-N 3.14Å; L1390-I1392 VanDerWaalsContact C-N 3.34Å; L1390-I1392 PolarHBondContact O-N 3.39Å; L1390-K1393 PolarHBondContact O-N 3Å; L1390-C1394 PolarHBondContact O-N 3.3Å; L1390-C1394 PolarHBondContact O-SG 2.97Å; L1390-C1394 VanDerWaalsContact O-SG 3.42Å |
| 1391 | A | 93.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1165 A1168 Y1387 T1388 K1393 C1394 I1395 L1445 | A1165-A1391 HydrophobicContact CB-CB 4.03Å; A1165-A1391 WeakPolarHBondContact O-CB 3.19Å; A1168-A1391 HydrophobicContact CB-CB 3.86Å; Y1387-A1391 WeakPolarHBondContact O-CB 3.36Å; Y1387-A1391 PolarHBondContact O-N 3.18Å; Y1387-A1391 VanDerWaalsContact O-N 3.12Å; T1388-A1391 PolarHBondContact O-N 3.09Å; T1388-A1391 VanDerWaalsContact O-N 3.13Å; A1391-K1393 VanDerWaalsContact C-N 3.28Å; A1391-K1393 PolarHBondContact O-N 3.33Å; A1391-C1394 WeakPolarHBondContact O-CB 3.39Å; A1391-C1394 PolarHBondContact O-N 3.12Å; A1391-C1394 VanDerWaalsContact O-N 3.09Å; A1391-I1395 WeakPolarHBondContact O-CG1 3.37Å; A1391-I1395 PolarHBondContact O-N 3.24Å; A1391-L1445 HydrophobicContact CB-CD1 3.96Å; A1391-L1445 HydrophobicContact CB-CD2 4.21Å |
| 1392 | I | 94 | Very high | 86.3 | Confident | 26.2 Ų | 26.2 | 31.3 Ų | 31.3 | 13% | 0.134 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -52.2 | -48.8 | 173.7 | -76.8 | 168.7 | 0 | 0 | 0 | 110.7 | T1388 S1389 L1390 C1394 I1395 D1396 P1444 L1445 R1448 | T1388-I1392 HydrophobicContact CG2-CD1 4.26Å; T1388-I1392 WeakPolarHBondContact O-CB 3.39Å; T1388-I1392 WeakPolarHBondContact O-CG1 3.33Å; T1388-I1392 PolarHBondContact O-N 3.2Å; S1389-I1392 PolarHBondContact O-N 3.07Å; L1390-I1392 VanDerWaalsContact C-N 3.34Å; L1390-I1392 PolarHBondContact O-N 3.39Å; I1392-C1394 VanDerWaalsContact C-N 3.33Å; I1392-C1394 PolarHBondContact O-N 3.19Å; I1392-I1395 PolarHBondContact O-N 3.06Å; I1392-D1396 WeakPolarHBondContact O-CB 3.47Å; I1392-D1396 PolarHBondContact O-N 3.1Å; I1392-P1444 HydrophobicContact CD1-CB 3.98Å; I1392-P1444 HydrophobicContact CD1-CG 4.08Å; I1392-L1445 HydrophobicContact CG1-CB 4.26Å; I1392-L1445 HydrophobicContact CG1-CD1 4.19Å; I1392-R1448 VanDerWaalsContact CG2-NE 3.33Å |
| 1393 | K | 93.2 | Very high | 88 | Confident | 44.4 Ų | 44.4 | 35.6 Ų | 35.6 | 19% | 0.193 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62 | -41.9 | 178 | -155.9 | 81.6 | 178.1 | 174.3 | 0 | 112.3 | D1140 F1384 S1389 L1390 A1391 I1395 D1396 I1397 | D1140-K1393 VanDerWaalsContact CG-NZ 3.32Å; D1140-K1393 WeakPolarHBondContact OD1-CE 3.1Å; D1140-K1393 IonicContact OD1-NZ 2.66Å; D1140-K1393 PolarHBondContact OD1-NZ 3.33Å; D1140-K1393 IonicContact OD2-NZ 3.33Å; D1140-K1393 PolarHBondContact OD2-NZ 3.28Å; D1140-K1393 VanDerWaalsContact OD2-NZ 3.12Å; F1384-K1393 HydrophobicContact CE1-CB 4.03Å; F1384-K1393 HydrophobicContact CE1-CD 4.42Å; F1384-K1393 HydrophobicContact CE1-CG 4.2Å; F1384-K1393 HydrophobicContact CE2-CB 4.36Å; F1384-K1393 HydrophobicContact CE2-CG 4.38Å; F1384-K1393 HydrophobicContact CZ-CB 3.78Å; F1384-K1393 HydrophobicContact CZ-CD 4.22Å; F1384-K1393 HydrophobicContact CZ-CG 3.65Å; S1389-K1393 WeakPolarHBondContact O-CG 3.47Å; S1389-K1393 PolarHBondContact O-N 3.18Å; L1390-K1393 PolarHBondContact O-N 3Å; A1391-K1393 VanDerWaalsContact C-N 3.28Å; A1391-K1393 PolarHBondContact O-N 3.33Å; K1393-I1395 VanDerWaalsContact C-N 3.34Å; K1393-I1395 PolarHBondContact O-N 3.09Å; K1393-D1396 PolarHBondContact O-N 3.18Å; K1393-I1397 HydrophobicContact CG-CD1 4.33Å; K1393-I1397 VanDerWaalsContact O-CG1 3.29Å; K1393-I1397 WeakPolarHBondContact O-CG1 3.39Å; K1393-I1397 PolarHBondContact O-N 2.97Å |
| 1394 | C | 96.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.2 | -44.3 | 176.6 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | L1161 A1165 L1390 A1391 I1392 I1397 L1398 | L1161-C1394 HydrophobicContact CB-CB 4.25Å; L1161-C1394 HydrophobicContact CD2-CB 4.29Å; L1161-C1394 WeakPolarHBondContact O-CB 3.47Å; A1165-C1394 HydrophobicContact CB-CB 4.09Å; L1390-C1394 PolarHBondContact O-N 3.3Å; L1390-C1394 PolarHBondContact O-SG 2.97Å; L1390-C1394 VanDerWaalsContact O-SG 3.42Å; A1391-C1394 WeakPolarHBondContact O-CB 3.39Å; A1391-C1394 PolarHBondContact O-N 3.12Å; A1391-C1394 VanDerWaalsContact O-N 3.09Å; I1392-C1394 VanDerWaalsContact C-N 3.33Å; I1392-C1394 PolarHBondContact O-N 3.19Å; C1394-I1397 PolarHBondContact O-N 3.35Å; C1394-L1398 VanDerWaalsContact O-CG 3.31Å; C1394-L1398 WeakPolarHBondContact O-CG 3.35Å; C1394-L1398 PolarHBondContact O-N 3.2Å |
| 1395 | I | 97.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.7 | -40.2 | 177.3 | -60.2 | -47.2 | 0 | 0 | 0 | 111.6 | A1165 A1391 I1392 K1393 I1397 L1398 R1399 L1434 L1437 L1445 R1448 V1449 L1452 | A1165-I1395 HydrophobicContact CB-CD1 4.38Å; A1391-I1395 WeakPolarHBondContact O-CG1 3.37Å; A1391-I1395 PolarHBondContact O-N 3.24Å; I1392-I1395 PolarHBondContact O-N 3.06Å; K1393-I1395 VanDerWaalsContact C-N 3.34Å; K1393-I1395 PolarHBondContact O-N 3.09Å; I1395-I1397 VanDerWaalsContact C-N 3.32Å; I1395-I1397 PolarHBondContact O-N 3.27Å; I1395-L1398 HydrophobicContact CD1-CD1 4.08Å; I1395-L1398 PolarHBondContact O-N 3.18Å; I1395-R1399 WeakPolarHBondContact O-CB 3.3Å; I1395-R1399 PolarHBondContact O-N 3.11Å; I1395-L1434 HydrophobicContact CD1-CD1 3.49Å; I1395-L1434 VanDerWaalsContact CD1-CD1 3.47Å; I1395-L1437 HydrophobicContact CD1-CD1 3.97Å; I1395-L1437 HydrophobicContact CG1-CD1 4.48Å; I1395-L1445 HydrophobicContact CG1-CD1 4.09Å; I1395-R1448 HydrophobicContact CB-CB 4.46Å; I1395-R1448 HydrophobicContact CG2-CB 3.78Å; I1395-V1449 HydrophobicContact CD1-CG2 4.41Å; I1395-V1449 HydrophobicContact CG1-CG2 4.12Å; I1395-L1452 HydrophobicContact CD1-CD2 4.32Å; I1395-L1452 HydrophobicContact CG2-CB 4.1Å; I1395-L1452 HydrophobicContact CG2-CD2 3.92Å |
| 1396 | D | 95.9 | Very high | 91.9 | Very high | 45.2 Ų | 45.2 | 32.8 Ų | 32.8 | 24% | 0.242 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.6 | -37.7 | 177 | -73.8 | -21 | 0 | 0 | 0 | 111.9 | I1392 K1393 R1399 R1400 R1448 | I1392-D1396 WeakPolarHBondContact O-CB 3.47Å; I1392-D1396 PolarHBondContact O-N 3.1Å; K1393-D1396 PolarHBondContact O-N 3.18Å; D1396-R1399 PolarHBondContact O-N 2.93Å; D1396-R1400 PolarHBondContact O-N 3.24Å; D1396-R1448 VanDerWaalsContact OD1-CD 3.3Å; D1396-R1448 WeakPolarHBondContact OD1-CD 3.39Å; D1396-R1448 IonicContact OD1-NE 3.32Å; D1396-R1448 PolarHBondContact OD1-NE 3.14Å; D1396-R1448 VanDerWaalsContact OD1-NE 3.14Å; D1396-R1448 IonicContact OD2-NE 3.32Å; D1396-R1448 PolarHBondContact OD2-NE 3.2Å |
| 1397 | I | 96.3 | Very high | 92.1 | Very high | 0.6 Ų | 0.6 | 30.6 Ų | 30.6 | 0% | 0.003 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.4 | -50.5 | 172.2 | -64.6 | 166.6 | 0 | 0 | 0 | 110 | L1136 D1140 M1143 L1161 K1393 C1394 I1395 R1399 R1400 L1401 | L1136-I1397 HydrophobicContact CB-CD1 4.41Å; L1136-I1397 HydrophobicContact CD2-CD1 4.09Å; D1140-I1397 HydrophobicContact CB-CD1 4.13Å; D1140-I1397 HydrophobicContact CB-CG1 3.85Å; M1143-I1397 HydrophobicContact CG-CG2 4.21Å; L1161-I1397 HydrophobicContact CD1-CB 4Å; L1161-I1397 HydrophobicContact CD1-CG2 3.57Å; L1161-I1397 HydrophobicContact CD2-CD1 4.3Å; K1393-I1397 HydrophobicContact CG-CD1 4.33Å; K1393-I1397 VanDerWaalsContact O-CG1 3.29Å; K1393-I1397 WeakPolarHBondContact O-CG1 3.39Å; K1393-I1397 PolarHBondContact O-N 2.97Å; C1394-I1397 PolarHBondContact O-N 3.35Å; I1395-I1397 VanDerWaalsContact C-N 3.32Å; I1395-I1397 PolarHBondContact O-N 3.27Å; I1397-R1399 VanDerWaalsContact C-N 3.26Å; I1397-R1399 PolarHBondContact O-N 2.84Å; I1397-R1400 WeakPolarHBondContact O-CA 3.34Å; I1397-R1400 WeakPolarHBondContact O-CB 3.28Å; I1397-R1400 PolarHBondContact O-N 3.21Å; I1397-R1400 VanDerWaalsContact O-N 3.07Å; I1397-L1401 HydrophobicContact CG2-CD2 4.47Å; I1397-L1401 WeakPolarHBondContact O-CG 3.46Å; I1397-L1401 PolarHBondContact O-N 3.12Å |
| 1398 | L | 97 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.1 | -39.8 | 178.9 | -71 | 174.6 | 0 | 0 | 0 | 112.3 | V1158 L1161 I1162 C1394 I1395 L1401 C1402 I1425 L1452 | V1158-L1398 HydrophobicContact CB-CD2 4.34Å; V1158-L1398 HydrophobicContact CG1-CD2 3.96Å; V1158-L1398 HydrophobicContact CG2-CD2 4.19Å; L1161-L1398 HydrophobicContact CB-CD1 4.39Å; L1161-L1398 HydrophobicContact CB-CD2 4.22Å; L1161-L1398 HydrophobicContact CB-CG 4.28Å; L1161-L1398 HydrophobicContact CD1-CD2 3.82Å; L1161-L1398 HydrophobicContact CD1-CG 4.02Å; I1162-L1398 HydrophobicContact CG1-CD1 3.89Å; C1394-L1398 VanDerWaalsContact O-CG 3.31Å; C1394-L1398 WeakPolarHBondContact O-CG 3.35Å; C1394-L1398 PolarHBondContact O-N 3.2Å; I1395-L1398 HydrophobicContact CD1-CD1 4.08Å; I1395-L1398 PolarHBondContact O-N 3.18Å; L1398-L1401 HydrophobicContact CD2-CD1 4.03Å; L1398-L1401 WeakPolarHBondContact O-CB 3.38Å; L1398-L1401 PolarHBondContact O-N 3.13Å; L1398-C1402 PolarHBondContact O-N 3.04Å; L1398-C1402 VanDerWaalsContact O-N 3.14Å; L1398-C1402 PolarHBondContact O-SG 2.99Å; L1398-I1425 HydrophobicContact CB-CD1 4.29Å; L1398-I1425 HydrophobicContact CD2-CD1 4.25Å; L1398-I1425 HydrophobicContact CD2-CG1 4.23Å; L1398-L1452 HydrophobicContact CB-CD1 4.31Å; L1398-L1452 HydrophobicContact CB-CD2 3.71Å; L1398-L1452 HydrophobicContact CD1-CD2 4.07Å |
| 1399 | R | 95.1 | Very high | 92 | Very high | 97 Ų | 97 | 37.5 Ų | 37.5 | 37% | 0.366 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.7 | -44.7 | 174.8 | -176.6 | 163.1 | 174.3 | -153.7 | 1.2 | 111.5 | I1395 D1396 I1397 L1401 C1402 D1403 S1451 L1452 | I1395-R1399 WeakPolarHBondContact O-CB 3.3Å; I1395-R1399 PolarHBondContact O-N 3.11Å; D1396-R1399 PolarHBondContact O-N 2.93Å; I1397-R1399 VanDerWaalsContact C-N 3.26Å; I1397-R1399 PolarHBondContact O-N 2.84Å; R1399-L1401 VanDerWaalsContact C-N 3.27Å; R1399-L1401 PolarHBondContact O-N 3.13Å; R1399-C1402 CarbonylContact O-C 3.59Å; R1399-C1402 WeakPolarHBondContact O-CA 3.36Å; R1399-C1402 WeakPolarHBondContact O-CB 3.32Å; R1399-C1402 PolarHBondContact O-N 3.21Å; R1399-D1403 IonicContact NE-OD2 3.66Å; R1399-D1403 VanDerWaalsContact O-CG 3.31Å; R1399-D1403 PolarHBondContact O-N 3.21Å; R1399-S1451 PolarHBondContact NE-OG 3.38Å; R1399-S1451 PolarHBondContact NH1-OG 3.42Å; R1399-S1451 PolarHBondContact NH2-OG 3.16Å; R1399-S1451 VanDerWaalsContact NH2-OG 3.1Å; R1399-L1452 HydrophobicContact CB-CD1 4.15Å |
| 1400 | R | 93.8 | Very high | 91.9 | Very high | 76.6 Ų | 76.6 | 43.7 Ų | 43.7 | 29% | 0.289 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.2 | -35.8 | 174.7 | -163.4 | 175.8 | -56.5 | 177.8 | 10.6 | 112.5 | D1140 M1143 D1396 I1397 C1402 D1403 S1404 | D1140-R1400 PolarHBondContact O-NH1 3.08Å; D1140-R1400 IonicContact OD1-CZ 3.49Å; D1140-R1400 VanDerWaalsContact OD1-CZ 3.27Å; D1140-R1400 IonicContact OD1-NE 3.4Å; D1140-R1400 PolarHBondContact OD1-NE 3.07Å; D1140-R1400 IonicContact OD1-NH1 3.28Å; D1140-R1400 PolarHBondContact OD1-NH1 3.22Å; D1140-R1400 IonicContact OD1-NH2 2.86Å; D1140-R1400 PolarHBondContact OD1-NH2 3.06Å; D1140-R1400 IonicContact OD2-CZ 3.28Å; D1140-R1400 IonicContact OD2-NH1 3.32Å; D1140-R1400 PolarHBondContact OD2-NH1 3.01Å; D1140-R1400 IonicContact OD2-NH2 3.1Å; M1143-R1400 HydrophobicContact CB-CG 4.45Å; D1396-R1400 PolarHBondContact O-N 3.24Å; I1397-R1400 WeakPolarHBondContact O-CA 3.34Å; I1397-R1400 WeakPolarHBondContact O-CB 3.28Å; I1397-R1400 PolarHBondContact O-N 3.21Å; I1397-R1400 VanDerWaalsContact O-N 3.07Å; R1400-C1402 VanDerWaalsContact C-N 3.32Å; R1400-C1402 PolarHBondContact O-N 3.2Å; R1400-D1403 PolarHBondContact O-N 3.03Å; R1400-S1404 PolarHBondContact O-N 2.96Å; R1400-S1404 VanDerWaalsContact O-N 3.09Å |
| 1401 | L | 94.5 | Very high | 91.7 | Very high | 16.4 Ų | 16.4 | 52.1 Ų | 52.1 | 9% | 0.086 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 173.2 | -54.5 | 179.2 | 0 | 0 | 0 | 111.1 | M1143 V1149 F1152 V1153 V1158 I1397 L1398 R1399 S1404 P1421 | M1143-L1401 HydrophobicContact CB-CD2 4.34Å; M1143-L1401 HydrophobicContact CG-CD2 3.64Å; M1143-L1401 HydrophobicContact SD-CD2 3.37Å; M1143-L1401 WeakPolarHBondContact SD-CD2 3.36Å; V1149-L1401 HydrophobicContact CB-CD2 4.36Å; V1149-L1401 HydrophobicContact CG1-CB 4.22Å; V1149-L1401 HydrophobicContact CG1-CD2 3.86Å; V1149-L1401 HydrophobicContact CG2-CD2 4.07Å; F1152-L1401 HydrophobicContact CD1-CD1 4.01Å; F1152-L1401 HydrophobicContact CD1-CD2 4.18Å; F1152-L1401 HydrophobicContact CE1-CD1 4.13Å; V1153-L1401 HydrophobicContact CG2-CD1 4.31Å; V1158-L1401 HydrophobicContact CG2-CD1 3.9Å; I1397-L1401 HydrophobicContact CG2-CD2 4.47Å; I1397-L1401 WeakPolarHBondContact O-CG 3.46Å; I1397-L1401 PolarHBondContact O-N 3.12Å; L1398-L1401 HydrophobicContact CD2-CD1 4.03Å; L1398-L1401 WeakPolarHBondContact O-CB 3.38Å; L1398-L1401 PolarHBondContact O-N 3.13Å; R1399-L1401 VanDerWaalsContact C-N 3.27Å; R1399-L1401 PolarHBondContact O-N 3.13Å; L1401-S1404 PolarHBondContact O-N 3.03Å; L1401-S1404 PolarHBondContact O-OG 3.17Å; L1401-P1421 HydrophobicContact CB-CB 3.87Å; L1401-P1421 HydrophobicContact CB-CG 4.27Å; L1401-P1421 WeakPolarHBondContact O-CG 3.25Å |
| 1402 | C | 92.2 | Very high | 91.3 | Very high | 0.2 Ų | 0.2 | 54.3 Ų | 54.3 | 0% | 0.001 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.2 | -39.4 | 176.4 | -70.2 | 0 | 0 | 0 | 0 | 112.9 | L1398 R1399 R1400 S1404 C1405 R1422 I1425 A1455 | L1398-C1402 PolarHBondContact O-N 3.04Å; L1398-C1402 VanDerWaalsContact O-N 3.14Å; L1398-C1402 PolarHBondContact O-SG 2.99Å; R1399-C1402 CarbonylContact O-C 3.59Å; R1399-C1402 WeakPolarHBondContact O-CA 3.36Å; R1399-C1402 WeakPolarHBondContact O-CB 3.32Å; R1399-C1402 PolarHBondContact O-N 3.21Å; R1400-C1402 VanDerWaalsContact C-N 3.32Å; R1400-C1402 PolarHBondContact O-N 3.2Å; C1402-S1404 VanDerWaalsContact C-N 3.31Å; C1402-S1404 PolarHBondContact O-N 3.36Å; C1402-C1405 CarbonylContact O-C 3.57Å; C1402-C1405 PolarHBondContact O-N 3.37Å; C1402-R1422 HydrophobicContact CB-CG 4.46Å; C1402-R1422 PolarHBondContact O-NH1 3.1Å; C1402-R1422 PolarHBondContact O-NH2 3.37Å; C1402-I1425 VanDerWaalsContact SG-CD1 3.54Å; C1402-I1425 WeakPolarHBondContact SG-CD1 3.32Å; C1402-A1455 HydrophobicContact CB-CB 4.36Å |
| 1403 | D | 91 | Very high | 91 | Very high | 100.6 Ų | 100.6 | 54.4 Ų | 54.4 | 54% | 0.538 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.8 | -29.9 | -179.9 | -66 | -20.7 | 0 | 0 | 0 | 112 | R1399 R1400 C1405 | R1399-D1403 IonicContact NE-OD2 3.66Å; R1399-D1403 VanDerWaalsContact O-CG 3.31Å; R1399-D1403 PolarHBondContact O-N 3.21Å; R1400-D1403 PolarHBondContact O-N 3.03Å; D1403-C1405 PolarHBondContact O-N 3.23Å |
| 1404 | S | 89.1 | Confident | 90.7 | Very high | 43.8 Ų | 43.8 | 55.2 Ų | 55.2 | 31% | 0.306 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -19.3 | 177.2 | 76.7 | 0 | 0 | 0 | 0 | 114.3 | V1149 R1400 L1401 C1402 | V1149-S1404 WeakPolarHBondContact CG1-OG 3.16Å; R1400-S1404 PolarHBondContact O-N 2.96Å; R1400-S1404 VanDerWaalsContact O-N 3.09Å; L1401-S1404 PolarHBondContact O-N 3.03Å; L1401-S1404 PolarHBondContact O-OG 3.17Å; C1402-S1404 VanDerWaalsContact C-N 3.31Å; C1402-S1404 PolarHBondContact O-N 3.36Å |
| 1405 | C | 87.6 | Confident | 90.2 | Very high | 23.8 Ų | 23.8 | 57.8 Ų | 57.8 | 16% | 0.161 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -132.7 | 107.5 | -175.7 | -66.1 | 0 | 0 | 0 | 0 | 110.3 | C1402 D1403 P1419 R1422 | C1402-C1405 CarbonylContact O-C 3.57Å; C1402-C1405 PolarHBondContact O-N 3.37Å; D1403-C1405 PolarHBondContact O-N 3.23Å; C1405-P1419 HydrophobicContact CB-CB 3.86Å; C1405-P1419 HydrophobicContact CB-CG 4.45Å; C1405-R1422 VanDerWaalsContact O-CZ 3.25Å; C1405-R1422 PolarHBondContact O-NE 2.82Å; C1405-R1422 PolarHBondContact O-NH1 3.34Å; C1405-R1422 PolarHBondContact O-NH2 3.07Å; C1405-R1422 VanDerWaalsContact O-NH2 3.13Å |
| 1406 | S | 86.4 | Confident | 89.7 | Confident | 72.4 Ų | 72.4 | 63.9 Ų | 63.9 | 51% | 0.506 | 34% | 0.336 | S | S | . | . | trans | -68 | 143.6 | 175.9 | -177.6 | 0 | 0 | 0 | 0 | 112.3 | R1408 P1419 R1422 | S1406-R1408 VanDerWaalsContact CB-O 3.27Å; S1406-R1408 WeakPolarHBondContact CB-O 3.32Å; S1406-R1408 PolarHBondContact OG-N 3.09Å; S1406-R1408 PolarHBondContact OG-O 2.95Å; S1406-P1419 VanDerWaalsContact O-CG 3.29Å; S1406-P1419 WeakPolarHBondContact O-CG 3.37Å; S1406-R1422 VanDerWaalsContact C-NH1 3.31Å | ||
| 1407 | S | 84.9 | Confident | 89.3 | Confident | 4 Ų | 4 | 66 Ų | 66 | 3% | 0.028 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -72.4 | -15.5 | 166.9 | 40.5 | 0 | 0 | 0 | 0 | 112.6 | V1415 R1422 D1458 | S1407-V1415 WeakPolarHBondContact O-CB 3.29Å; S1407-V1415 WeakPolarHBondContact O-CG2 3.44Å; S1407-V1415 PolarHBondContact O-N 3.06Å; S1407-R1422 PolarHBondContact OG-NH1 3.15Å; S1407-R1422 PolarHBondContact OG-NH2 3.36Å; S1407-D1458 WeakPolarHBondContact CB-OD2 3.3Å; S1407-D1458 PolarHBondContact OG-OD2 3.11Å |
| 1408 | R | 88.1 | Confident | 89 | Confident | 115.6 Ų | 115.6 | 66.6 Ų | 66.6 | 44% | 0.436 | 36% | 0.355 | S | S | . | . | B | Isolated β-bridge | trans | -121.6 | 142.3 | -177.9 | -57.1 | -176.5 | -171.3 | -172.5 | 0.4 | 110.7 | S1406 G1413 D1458 Q1459 | S1406-R1408 VanDerWaalsContact CB-O 3.27Å; S1406-R1408 WeakPolarHBondContact CB-O 3.32Å; S1406-R1408 PolarHBondContact OG-N 3.09Å; S1406-R1408 PolarHBondContact OG-O 2.95Å; R1408-G1413 CarbonylContact C-O 3.46Å; R1408-G1413 VanDerWaalsContact CA-O 3.23Å; R1408-G1413 WeakPolarHBondContact CA-O 3.33Å; R1408-D1458 IonicContact CZ-OD1 3.39Å; R1408-D1458 IonicContact NE-OD1 3.19Å; R1408-D1458 IonicContact NE-OD2 3.29Å; R1408-D1458 IonicContact NH2-OD1 3.41Å; R1408-D1458 PolarHBondContact NH2-OD1 3.09Å; R1408-D1458 IonicContact NH2-OD2 3.96Å; R1408-Q1459 VanDerWaalsContact NH2-NE2 3.11Å |
| 1409 | D | 86.2 | Confident | 88.7 | Confident | 77.8 Ų | 77.8 | 67.4 Ų | 67.4 | 42% | 0.416 | 36% | 0.36 | S | S | . | . | trans | -75.2 | -179.2 | 171.9 | 70.4 | 19.9 | 0 | 0 | 0 | 111.7 | H1411 G1412 G1413 V1415 | D1409-H1411 PolarHBondContact O-N 3.09Å; D1409-H1411 VanDerWaalsContact OD1-C 3.26Å; D1409-H1411 VanDerWaalsContact OD1-CA 3.29Å; D1409-H1411 WeakPolarHBondContact OD1-CA 3.4Å; D1409-H1411 WeakPolarHBondContact OD1-CB 3.36Å; D1409-H1411 PolarHBondContact OD1-N 3.2Å; D1409-G1412 PolarHBondContact O-N 3.31Å; D1409-G1412 VanDerWaalsContact O-N 3.13Å; D1409-G1412 PolarHBondContact OD1-N 3.39Å; D1409-G1413 PolarHBondContact N-O 3.27Å; D1409-G1413 WeakPolarHBondContact OD1-CA 3.4Å; D1409-G1413 PolarHBondContact OD1-N 3.17Å; D1409-G1413 WeakPolarHBondContact OD2-CA 3.31Å; D1409-V1415 HydrophobicContact CB-CG2 4.39Å | ||
| 1410 | L | 86.5 | Confident | 88.5 | Confident | 172.8 Ų | 172.8 | 67.3 Ų | 67.3 | 91% | 0.905 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -23.8 | 178.7 | -137.8 | 91.9 | 0 | 0 | 0 | 113.4 | G1412 | L1410-G1412 VanDerWaalsContact C-N 3.33Š|
| 1411 | H | 87.3 | Confident | 88.4 | Confident | 176.4 Ų | 176.4 | 63.9 Ų | 63.9 | 82% | 0.817 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 2.8 | 178.7 | -57.9 | -60 | 0 | 0 | 0 | 112.6 | D1409 G1413 | D1409-H1411 PolarHBondContact O-N 3.09Å; D1409-H1411 VanDerWaalsContact OD1-C 3.26Å; D1409-H1411 VanDerWaalsContact OD1-CA 3.29Å; D1409-H1411 WeakPolarHBondContact OD1-CA 3.4Å; D1409-H1411 WeakPolarHBondContact OD1-CB 3.36Å; D1409-H1411 PolarHBondContact OD1-N 3.2Å; H1411-G1413 VanDerWaalsContact C-N 3.32Å |
| 1412 | G | 85.4 | Confident | 88.4 | Confident | 45 Ų | 45 | 63.9 Ų | 63.9 | 46% | 0.464 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 82.2 | 3.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1409 L1410 | D1409-G1412 PolarHBondContact O-N 3.31Å; D1409-G1412 VanDerWaalsContact O-N 3.13Å; D1409-G1412 PolarHBondContact OD1-N 3.39Å; L1410-G1412 VanDerWaalsContact C-N 3.33Å |
| 1413 | G | 86.9 | Confident | 88.4 | Confident | 29 Ų | 29 | 69.6 Ų | 69.6 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 143.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1408 D1409 H1411 V1415 | R1408-G1413 CarbonylContact C-O 3.46Å; R1408-G1413 VanDerWaalsContact CA-O 3.23Å; R1408-G1413 WeakPolarHBondContact CA-O 3.33Å; D1409-G1413 PolarHBondContact N-O 3.27Å; D1409-G1413 WeakPolarHBondContact OD1-CA 3.4Å; D1409-G1413 PolarHBondContact OD1-N 3.17Å; D1409-G1413 WeakPolarHBondContact OD2-CA 3.31Å; H1411-G1413 VanDerWaalsContact C-N 3.32Å; G1413-V1415 PolarHBondContact O-N 2.99Å |
| 1414 | V | 86.7 | Confident | 88.4 | Confident | 61.8 Ų | 61.8 | 66.4 Ų | 66.4 | 38% | 0.375 | 36% | 0.358 | S | S | . | . | B | Isolated β-bridge | trans | -77.3 | 122.4 | -178.4 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | R1416 Q1459 | V1414-R1416 HydrophobicContact CG1-CG 4.42Å; V1414-R1416 VanDerWaalsContact CG1-CZ 3.41Å; V1414-R1416 VanDerWaalsContact CG1-NH1 3.3Å; V1414-R1416 PolarHBondContact O-N 3.07Å; V1414-Q1459 HydrophobicContact CG1-CB 3.75Å; V1414-Q1459 HydrophobicContact CG1-CG 4.14Å; V1414-Q1459 HydrophobicContact CG2-CB 4.44Å; V1414-Q1459 HydrophobicContact CG2-CG 3.97Å |
| 1415 | V | 86.4 | Confident | 88.7 | Confident | 53.2 Ų | 53.2 | 64.4 Ų | 64.4 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 123 | 179.1 | 180 | 0 | 0 | 0 | 0 | 110.4 | S1407 D1409 G1413 | S1407-V1415 WeakPolarHBondContact O-CB 3.29Å; S1407-V1415 WeakPolarHBondContact O-CG2 3.44Å; S1407-V1415 PolarHBondContact O-N 3.06Å; D1409-V1415 HydrophobicContact CB-CG2 4.39Å; G1413-V1415 PolarHBondContact O-N 2.99Å |
| 1416 | R | 87.4 | Confident | 89 | Confident | 129.8 Ų | 129.8 | 63.6 Ų | 63.6 | 49% | 0.49 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -129.8 | 136.2 | 176.4 | -65.4 | -64.6 | -174.8 | -134.7 | 4 | 111 | V1414 Q1459 | V1414-R1416 HydrophobicContact CG1-CG 4.42Å; V1414-R1416 VanDerWaalsContact CG1-CZ 3.41Å; V1414-R1416 VanDerWaalsContact CG1-NH1 3.3Å; V1414-R1416 PolarHBondContact O-N 3.07Å; R1416-Q1459 VanDerWaalsContact CZ-O 3.23Å; R1416-Q1459 PolarHBondContact NH1-O 3.22Å; R1416-Q1459 PolarHBondContact NH2-O 3.17Å |
| 1417 | P | 86.8 | Confident | 89.1 | Confident | 89.4 Ų | 89.4 | 63.8 Ų | 63.8 | 58% | 0.581 | 33% | 0.334 | S | S | * | . | S | Bend | cis | -64.6 | 161.6 | -7.6 | 29.8 | -36.5 | 0 | 0 | 0 | 112.1 | R1423 | P1417-R1423 VanDerWaalsContact CB-NH2 3.35Å; P1417-R1423 VanDerWaalsContact CG-NH2 3.27Å |
| 1418 | L | 88.9 | Confident | 89.2 | Confident | 13 Ų | 13 | 69.8 Ų | 69.8 | 7% | 0.068 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -49.3 | 142.3 | 179.8 | -96.2 | 159.4 | 0 | 0 | 0 | 111.3 | K1420 R1422 R1423 N1460 P1461 | L1418-K1420 PolarHBondContact O-N 2.7Å; L1418-R1422 HydrophobicContact CD1-CB 4.25Å; L1418-R1422 HydrophobicContact CD2-CB 4.05Å; L1418-R1422 HydrophobicContact CG-CB 3.76Å; L1418-R1423 HydrophobicContact CB-CB 4.4Å; L1418-R1423 HydrophobicContact CB-CG 3.64Å; L1418-R1423 HydrophobicContact CD2-CG 4.08Å; L1418-R1423 HydrophobicContact CG-CG 4.14Å; L1418-R1423 WeakPolarHBondContact O-CD 3.46Å; L1418-R1423 WeakPolarHBondContact O-CG 3.18Å; L1418-R1423 VanDerWaalsContact O-CZ 3.31Å; L1418-R1423 PolarHBondContact O-NE 2.89Å; L1418-R1423 VanDerWaalsContact O-NE 3.1Å; L1418-R1423 PolarHBondContact O-NH2 3.06Å; L1418-N1460 HydrophobicContact CD1-CB 4.28Å; L1418-P1461 VanDerWaalsContact CD1-CD 3.48Å; L1418-P1461 HydrophobicContact CD1-CG 4.28Å |
| 1419 | P | 91.1 | Very high | 89 | Confident | 16.6 Ų | 16.6 | 67.2 Ų | 67.2 | 11% | 0.108 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -49.9 | 142.8 | 176.1 | -28.2 | 34.8 | 0 | 0 | 0 | 112.5 | C1405 S1406 P1421 R1422 R1423 | C1405-P1419 HydrophobicContact CB-CB 3.86Å; C1405-P1419 HydrophobicContact CB-CG 4.45Å; S1406-P1419 VanDerWaalsContact O-CG 3.29Å; S1406-P1419 WeakPolarHBondContact O-CG 3.37Å; P1419-P1421 VanDerWaalsContact C-CD 3.49Å; P1419-R1422 PolarHBondContact O-N 3.24Å; P1419-R1422 VanDerWaalsContact O-N 3.11Å; P1419-R1423 PolarHBondContact O-N 3.08Å |
| 1420 | K | 90.7 | Very high | 89.3 | Confident | 95.2 Ų | 95.2 | 64.2 Ų | 64.2 | 41% | 0.414 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -50.3 | -46.7 | -173 | -70 | -169.4 | -175.3 | -176 | 0 | 113.6 | M1150 V1153 D1154 L1418 R1422 R1423 A1424 | M1150-K1420 HydrophobicContact CE-CB 4.36Å; M1150-K1420 HydrophobicContact CE-CD 3.51Å; M1150-K1420 VanDerWaalsContact CE-CD 3.46Å; M1150-K1420 HydrophobicContact CE-CG 3.9Å; M1150-K1420 HydrophobicContact SD-CB 4.19Å; M1150-K1420 HydrophobicContact SD-CD 4.16Å; M1150-K1420 HydrophobicContact SD-CG 4.31Å; V1153-K1420 HydrophobicContact CG1-CB 4.06Å; D1154-K1420 WeakPolarHBondContact OD1-CD 3.22Å; D1154-K1420 IonicContact OD1-NZ 3.52Å; D1154-K1420 PolarHBondContact OD1-NZ 3.1Å; D1154-K1420 IonicContact OD2-NZ 3.46Å; D1154-K1420 PolarHBondContact OD2-NZ 2.93Å; L1418-K1420 PolarHBondContact O-N 2.7Å; K1420-R1422 PolarHBondContact O-N 3.23Å; K1420-R1423 WeakPolarHBondContact O-CB 3.44Å; K1420-R1423 PolarHBondContact O-N 3.01Å; K1420-A1424 WeakPolarHBondContact O-CB 3.42Å; K1420-A1424 PolarHBondContact O-N 3.26Å |
| 1421 | P | 92.3 | Very high | 89.7 | Confident | 5.4 Ų | 5.4 | 56.3 Ų | 56.3 | 4% | 0.035 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.4 | -48.6 | 178.4 | -24.8 | 34.1 | 0 | 0 | 0 | 113.2 | V1149 V1153 L1401 P1419 R1423 A1424 I1425 | V1149-P1421 HydrophobicContact CG1-CG 4.02Å; V1153-P1421 HydrophobicContact CG2-CB 4.34Å; V1153-P1421 HydrophobicContact CG2-CG 4.13Å; L1401-P1421 HydrophobicContact CB-CB 3.87Å; L1401-P1421 HydrophobicContact CB-CG 4.27Å; L1401-P1421 WeakPolarHBondContact O-CG 3.25Å; P1419-P1421 VanDerWaalsContact C-CD 3.49Å; P1421-R1423 VanDerWaalsContact C-N 3.31Å; P1421-R1423 PolarHBondContact O-N 3.17Å; P1421-A1424 PolarHBondContact O-N 3.04Å; P1421-I1425 WeakPolarHBondContact O-CD1 3.22Å; P1421-I1425 VanDerWaalsContact O-CG1 3.25Å; P1421-I1425 WeakPolarHBondContact O-CG1 3.36Å; P1421-I1425 PolarHBondContact O-N 3.11Å |
| 1422 | R | 94 | Very high | 90 | Very high | 16 Ų | 16 | 48.3 Ų | 48.3 | 6% | 0.06 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 178.9 | -63.4 | -172 | -171.6 | 156.6 | 8.5 | 111.4 | C1402 C1405 S1406 S1407 L1418 P1419 K1420 I1425 S1426 A1455 D1458 | C1402-R1422 HydrophobicContact CB-CG 4.46Å; C1402-R1422 PolarHBondContact O-NH1 3.1Å; C1402-R1422 PolarHBondContact O-NH2 3.37Å; C1405-R1422 VanDerWaalsContact O-CZ 3.25Å; C1405-R1422 PolarHBondContact O-NE 2.82Å; C1405-R1422 PolarHBondContact O-NH1 3.34Å; C1405-R1422 PolarHBondContact O-NH2 3.07Å; C1405-R1422 VanDerWaalsContact O-NH2 3.13Å; S1406-R1422 VanDerWaalsContact C-NH1 3.31Å; S1407-R1422 PolarHBondContact OG-NH1 3.15Å; S1407-R1422 PolarHBondContact OG-NH2 3.36Å; L1418-R1422 HydrophobicContact CD1-CB 4.25Å; L1418-R1422 HydrophobicContact CD2-CB 4.05Å; L1418-R1422 HydrophobicContact CG-CB 3.76Å; P1419-R1422 PolarHBondContact O-N 3.24Å; P1419-R1422 VanDerWaalsContact O-N 3.11Å; K1420-R1422 PolarHBondContact O-N 3.23Å; R1422-I1425 PolarHBondContact O-N 3.2Å; R1422-S1426 VanDerWaalsContact O-CB 3.28Å; R1422-S1426 WeakPolarHBondContact O-CB 3.29Å; R1422-S1426 PolarHBondContact O-N 3.18Å; R1422-S1426 PolarHBondContact O-OG 3.25Å; R1422-A1455 WeakPolarHBondContact CD-O 3.42Å; R1422-A1455 PolarHBondContact NE-O 3.29Å; R1422-A1455 PolarHBondContact NH1-O 3.12Å; R1422-D1458 IonicContact NH1-OD2 3.48Å; R1422-D1458 PolarHBondContact NH1-OD2 2.8Å |
| 1423 | R | 92.4 | Very high | 90.4 | Very high | 119.4 Ų | 119.4 | 46.7 Ų | 46.7 | 45% | 0.451 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.6 | -45.9 | 176.3 | -151.4 | -171.6 | -51.6 | 169.2 | 6.9 | 112.1 | P1417 L1418 P1419 K1420 P1421 I1425 S1426 D1427 | P1417-R1423 VanDerWaalsContact CB-NH2 3.35Å; P1417-R1423 VanDerWaalsContact CG-NH2 3.27Å; L1418-R1423 HydrophobicContact CB-CB 4.4Å; L1418-R1423 HydrophobicContact CB-CG 3.64Å; L1418-R1423 HydrophobicContact CD2-CG 4.08Å; L1418-R1423 HydrophobicContact CG-CG 4.14Å; L1418-R1423 WeakPolarHBondContact O-CD 3.46Å; L1418-R1423 WeakPolarHBondContact O-CG 3.18Å; L1418-R1423 VanDerWaalsContact O-CZ 3.31Å; L1418-R1423 PolarHBondContact O-NE 2.89Å; L1418-R1423 VanDerWaalsContact O-NE 3.1Å; L1418-R1423 PolarHBondContact O-NH2 3.06Å; P1419-R1423 PolarHBondContact O-N 3.08Å; K1420-R1423 WeakPolarHBondContact O-CB 3.44Å; K1420-R1423 PolarHBondContact O-N 3.01Å; P1421-R1423 VanDerWaalsContact C-N 3.31Å; P1421-R1423 PolarHBondContact O-N 3.17Å; R1423-I1425 PolarHBondContact O-N 2.86Å; R1423-S1426 PolarHBondContact O-N 2.89Å; R1423-D1427 PolarHBondContact O-N 3Å |
| 1424 | A | 92 | Very high | 90.9 | Very high | 33.8 Ų | 33.8 | 45.5 Ų | 45.5 | 28% | 0.279 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1153 V1158 K1420 P1421 S1426 D1427 C1430 | V1153-A1424 HydrophobicContact CG1-CB 3.9Å; V1158-A1424 HydrophobicContact CB-CB 4.11Å; V1158-A1424 HydrophobicContact CG1-CB 4.17Å; V1158-A1424 HydrophobicContact CG2-CB 3.9Å; K1420-A1424 WeakPolarHBondContact O-CB 3.42Å; K1420-A1424 PolarHBondContact O-N 3.26Å; P1421-A1424 PolarHBondContact O-N 3.04Å; A1424-S1426 VanDerWaalsContact C-N 3.31Å; A1424-S1426 PolarHBondContact O-N 2.92Å; A1424-D1427 VanDerWaalsContact O-CB 3.27Å; A1424-D1427 WeakPolarHBondContact O-CB 3.36Å; A1424-D1427 PolarHBondContact O-N 3.03Å; A1424-C1430 WeakPolarHBondContact O-CB 3.39Å; A1424-C1430 PolarHBondContact O-SG 3.19Å; A1424-C1430 VanDerWaalsContact O-SG 3.38Å |
| 1425 | I | 94.7 | Very high | 91.3 | Very high | 2.6 Ų | 2.6 | 42.6 Ų | 42.6 | 1% | 0.013 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.9 | -34.4 | 175.9 | -62.9 | 164.4 | 0 | 0 | 0 | 111.3 | V1158 L1398 C1402 P1421 R1422 R1423 D1427 C1430 L1431 L1434 L1452 V1456 | V1158-I1425 HydrophobicContact CG1-CB 4.45Å; V1158-I1425 HydrophobicContact CG1-CG1 3.68Å; L1398-I1425 HydrophobicContact CB-CD1 4.29Å; L1398-I1425 HydrophobicContact CD2-CD1 4.25Å; L1398-I1425 HydrophobicContact CD2-CG1 4.23Å; C1402-I1425 VanDerWaalsContact SG-CD1 3.54Å; C1402-I1425 WeakPolarHBondContact SG-CD1 3.32Å; P1421-I1425 WeakPolarHBondContact O-CD1 3.22Å; P1421-I1425 VanDerWaalsContact O-CG1 3.25Å; P1421-I1425 WeakPolarHBondContact O-CG1 3.36Å; P1421-I1425 PolarHBondContact O-N 3.11Å; R1422-I1425 PolarHBondContact O-N 3.2Å; R1423-I1425 PolarHBondContact O-N 2.86Å; I1425-D1427 PolarHBondContact O-N 2.95Å; I1425-C1430 VanDerWaalsContact O-CB 3.32Å; I1425-C1430 WeakPolarHBondContact O-CB 3.33Å; I1425-L1431 WeakPolarHBondContact O-CA 3.4Å; I1425-L1431 WeakPolarHBondContact O-CB 3.33Å; I1425-L1431 PolarHBondContact O-N 3.33Å; I1425-L1431 VanDerWaalsContact O-N 3.14Å; I1425-L1434 HydrophobicContact CG2-CD1 3.84Å; I1425-L1434 HydrophobicContact CG2-CD2 3.64Å; I1425-L1452 HydrophobicContact CD1-CD1 4.33Å; I1425-V1456 HydrophobicContact CB-CG1 4.3Å; I1425-V1456 HydrophobicContact CB-CG2 4.31Å; I1425-V1456 HydrophobicContact CD1-CG2 4.01Å; I1425-V1456 HydrophobicContact CG2-CG1 4.07Å; I1425-V1456 HydrophobicContact CG2-CG2 3.93Å |
| 1426 | S | 93.3 | Very high | 91.7 | Very high | 6.6 Ų | 6.6 | 40.2 Ų | 40.2 | 5% | 0.046 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -6.5 | 179.2 | -59.8 | 0 | 0 | 0 | 0 | 114.2 | R1422 R1423 A1424 V1456 N1460 L1462 | R1422-S1426 VanDerWaalsContact O-CB 3.28Å; R1422-S1426 WeakPolarHBondContact O-CB 3.29Å; R1422-S1426 PolarHBondContact O-N 3.18Å; R1422-S1426 PolarHBondContact O-OG 3.25Å; R1423-S1426 PolarHBondContact O-N 2.89Å; A1424-S1426 VanDerWaalsContact C-N 3.31Å; A1424-S1426 PolarHBondContact O-N 2.92Å; S1426-V1456 WeakPolarHBondContact OG-CG1 3.28Å; S1426-N1460 PolarHBondContact OG-ND2 3.2Å; S1426-L1462 VanDerWaalsContact O-CD1 3.27Å; S1426-L1462 WeakPolarHBondContact O-CD1 3.32Å |
| 1427 | D | 90.3 | Very high | 92.1 | Very high | 76 Ų | 76 | 34.5 Ų | 34.5 | 41% | 0.406 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -62.5 | 150.8 | 179.7 | -170.9 | -54 | 0 | 0 | 0 | 111.9 | R1423 A1424 I1425 N1429 C1430 L1431 | R1423-D1427 PolarHBondContact O-N 3Å; A1424-D1427 VanDerWaalsContact O-CB 3.27Å; A1424-D1427 WeakPolarHBondContact O-CB 3.36Å; A1424-D1427 PolarHBondContact O-N 3.03Å; I1425-D1427 PolarHBondContact O-N 2.95Å; D1427-N1429 PolarHBondContact O-N 3.02Å; D1427-N1429 VanDerWaalsContact O-N 3.11Å; D1427-N1429 VanDerWaalsContact OD1-CB 3.25Å; D1427-N1429 WeakPolarHBondContact OD1-CB 3.29Å; D1427-N1429 PolarHBondContact OD1-N 3.29Å; D1427-N1429 PolarHBondContact OD1-ND2 2.88Å; D1427-C1430 HydrophobicContact CB-CB 4.35Å; D1427-C1430 PolarHBondContact O-N 3.11Å; D1427-L1431 WeakPolarHBondContact O-CB 3.5Å; D1427-L1431 PolarHBondContact O-N 3.26Å |
| 1428 | M | 85.6 | Confident | 92.4 | Very high | 129.4 Ų | 129.4 | 30.4 Ų | 30.4 | 64% | 0.637 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -24.4 | -178 | -67.3 | -100.2 | 77.5 | 0 | 0 | 112.8 | C1430 L1431 P1432 | M1428-C1430 VanDerWaalsContact C-N 3.33Å; M1428-L1431 HydrophobicContact CE-CD2 4.15Å; M1428-P1432 WeakPolarHBondContact O-CD 3.38Å; M1428-P1432 VanDerWaalsContact O-CG 3.32Å; M1428-P1432 WeakPolarHBondContact O-CG 3.36Å |
| 1429 | N | 85 | Confident | 92.5 | Very high | 62 Ų | 62 | 30.2 Ų | 30.2 | 33% | 0.332 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -3.5 | 176.6 | -62 | -30.3 | 0 | 0 | 0 | 113.3 | D1257 D1427 H1433 R1581 | D1257-N1429 PolarHBondContact OD2-ND2 3.07Å; D1257-N1429 VanDerWaalsContact OD2-ND2 3.15Å; D1427-N1429 PolarHBondContact O-N 3.02Å; D1427-N1429 VanDerWaalsContact O-N 3.11Å; D1427-N1429 VanDerWaalsContact OD1-CB 3.25Å; D1427-N1429 WeakPolarHBondContact OD1-CB 3.29Å; D1427-N1429 PolarHBondContact OD1-N 3.29Å; D1427-N1429 PolarHBondContact OD1-ND2 2.88Å; N1429-H1433 PolarHBondContact O-CD2 3.11Å; N1429-H1433 VanDerWaalsContact O-CD2 3.27Å; N1429-R1581 PolarHBondContact O-NH1 2.92Å; N1429-R1581 PolarHBondContact O-NH2 3.38Å |
| 1430 | C | 92.1 | Very high | 92.3 | Very high | 15.6 Ų | 15.6 | 30.4 Ų | 30.4 | 11% | 0.105 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -56.4 | -173.7 | -70.1 | 0 | 0 | 0 | 0 | 111.5 | I1162 A1424 I1425 D1427 M1428 H1433 L1434 | I1162-C1430 HydrophobicContact CD1-CB 3.36Å; A1424-C1430 WeakPolarHBondContact O-CB 3.39Å; A1424-C1430 PolarHBondContact O-SG 3.19Å; A1424-C1430 VanDerWaalsContact O-SG 3.38Å; I1425-C1430 VanDerWaalsContact O-CB 3.32Å; I1425-C1430 WeakPolarHBondContact O-CB 3.33Å; D1427-C1430 HydrophobicContact CB-CB 4.35Å; D1427-C1430 PolarHBondContact O-N 3.11Å; M1428-C1430 VanDerWaalsContact C-N 3.33Å; C1430-H1433 PolarHBondContact O-N 3.17Å; C1430-L1434 PolarHBondContact O-N 3.19Å; C1430-L1434 VanDerWaalsContact O-N 3.09Å |
| 1431 | L | 94.9 | Very high | 92.2 | Very high | 6.6 Ų | 6.6 | 28.4 Ų | 28.4 | 4% | 0.035 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.4 | -46.6 | -170.8 | -178.1 | 63 | 0 | 0 | 0 | 113.7 | I1425 D1427 M1428 H1433 L1434 I1435 L1453 M1457 L1462 L1466 | I1425-L1431 WeakPolarHBondContact O-CA 3.4Å; I1425-L1431 WeakPolarHBondContact O-CB 3.33Å; I1425-L1431 PolarHBondContact O-N 3.33Å; I1425-L1431 VanDerWaalsContact O-N 3.14Å; D1427-L1431 WeakPolarHBondContact O-CB 3.5Å; D1427-L1431 PolarHBondContact O-N 3.26Å; M1428-L1431 HydrophobicContact CE-CD2 4.15Å; L1431-H1433 VanDerWaalsContact C-N 3.29Å; L1431-H1433 PolarHBondContact O-N 3.04Å; L1431-L1434 PolarHBondContact O-N 2.92Å; L1431-I1435 HydrophobicContact CD1-CD1 3.79Å; L1431-I1435 HydrophobicContact CD1-CG1 4.22Å; L1431-I1435 HydrophobicContact CD2-CD1 4.4Å; L1431-I1435 HydrophobicContact CG-CD1 3.81Å; L1431-I1435 HydrophobicContact CG-CG1 4.47Å; L1431-I1435 WeakPolarHBondContact O-CG1 3.38Å; L1431-I1435 PolarHBondContact O-N 3.01Å; L1431-I1435 VanDerWaalsContact O-N 3.09Å; L1431-L1453 HydrophobicContact CD1-CD2 3.98Å; L1431-M1457 HydrophobicContact CD1-CE 3.75Å; L1431-M1457 HydrophobicContact CD2-CE 4Å; L1431-M1457 HydrophobicContact CG-CE 4.45Å; L1431-L1462 HydrophobicContact CD2-CD1 4.07Å; L1431-L1466 HydrophobicContact CD2-CD1 4.18Å |
| 1432 | P | 94 | Very high | 92 | Very high | 8.8 Ų | 8.8 | 29.9 Ų | 29.9 | 6% | 0.057 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.5 | -38.5 | -179.5 | -24.2 | 36.2 | 0 | 0 | 0 | 112.6 | M1428 L1434 I1435 Q1436 I1583 | M1428-P1432 WeakPolarHBondContact O-CD 3.38Å; M1428-P1432 VanDerWaalsContact O-CG 3.32Å; M1428-P1432 WeakPolarHBondContact O-CG 3.36Å; P1432-L1434 VanDerWaalsContact C-N 3.34Å; P1432-L1434 PolarHBondContact O-N 2.98Å; P1432-I1435 PolarHBondContact O-N 3.11Å; P1432-Q1436 WeakPolarHBondContact O-CB 3.33Å; P1432-Q1436 VanDerWaalsContact O-CD 3.25Å; P1432-Q1436 WeakPolarHBondContact O-CG 3.33Å; P1432-Q1436 PolarHBondContact O-N 2.92Å; P1432-Q1436 PolarHBondContact O-NE2 3.32Å; P1432-Q1436 VanDerWaalsContact O-NE2 3.15Å; P1432-I1583 HydrophobicContact CB-CG1 4.4Å; P1432-I1583 HydrophobicContact CB-CG2 4.25Å; P1432-I1583 HydrophobicContact CG-CG2 4.13Å |
| 1433 | H | 94 | Very high | 91.8 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 5% | 0.051 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -73.5 | -37.5 | -178.1 | -56.6 | -64.4 | 0 | 0 | 0 | 112.2 | I1162 N1429 C1430 L1431 I1435 Q1436 L1437 R1581 I1583 | I1162-H1433 HydrophobicContact CG2-CB 3.89Å; N1429-H1433 PolarHBondContact O-CD2 3.11Å; N1429-H1433 VanDerWaalsContact O-CD2 3.27Å; C1430-H1433 PolarHBondContact O-N 3.17Å; L1431-H1433 VanDerWaalsContact C-N 3.29Å; L1431-H1433 PolarHBondContact O-N 3.04Å; H1433-I1435 VanDerWaalsContact C-N 3.28Å; H1433-I1435 PolarHBondContact O-N 3.3Å; H1433-Q1436 PolarHBondContact ND1-OE1 3.38Å; H1433-Q1436 PolarHBondContact O-N 3.11Å; H1433-L1437 PolarHBondContact O-N 3.02Å; H1433-R1581 PolarHBondContact CD2-NE 2.77Å; H1433-R1581 PolarHBondContact CD2-NH1 3.2Å; H1433-R1581 PolarHBondContact CD2-NH2 3.43Å; H1433-R1581 VanDerWaalsContact CE1-CD 3.5Å; H1433-R1581 WeakPolarHBondContact CE1-CD 3.34Å; H1433-R1581 PolarHBondContact CE1-NE 3.48Å; H1433-R1581 VanDerWaalsContact CE1-NE 3.27Å; H1433-R1581 PolarHBondContact CE1-O 2.97Å; H1433-R1581 VanDerWaalsContact CE1-O 3.25Å; H1433-R1581 PolarHBondContact ND1-NE 3.07Å; H1433-R1581 PolarHBondContact NE2-NE 2.89Å; H1433-R1581 VanDerWaalsContact NE2-NE 3.11Å; H1433-R1581 PolarHBondContact NE2-NH1 3.21Å; H1433-R1581 PolarHBondContact NE2-NH2 3.42Å; H1433-I1583 VanDerWaalsContact CE1-CG1 3.46Å; H1433-I1583 WeakPolarHBondContact CE1-CG1 3.38Å |
| 1434 | L | 95.9 | Very high | 91.8 | Very high | 3.4 Ų | 3.4 | 28.4 Ų | 28.4 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.1 | -44.2 | 171.3 | 176.8 | 75.5 | 0 | 0 | 0 | 111.2 | I1395 I1425 C1430 L1431 P1432 Q1436 L1437 V1449 L1452 L1453 | I1395-L1434 HydrophobicContact CD1-CD1 3.49Å; I1395-L1434 VanDerWaalsContact CD1-CD1 3.47Å; I1425-L1434 HydrophobicContact CG2-CD1 3.84Å; I1425-L1434 HydrophobicContact CG2-CD2 3.64Å; C1430-L1434 PolarHBondContact O-N 3.19Å; C1430-L1434 VanDerWaalsContact O-N 3.09Å; L1431-L1434 PolarHBondContact O-N 2.92Å; P1432-L1434 VanDerWaalsContact C-N 3.34Å; P1432-L1434 PolarHBondContact O-N 2.98Å; L1434-Q1436 VanDerWaalsContact C-N 3.34Å; L1434-L1437 HydrophobicContact CD1-CD1 4.24Å; L1434-L1437 WeakPolarHBondContact O-CB 3.42Å; L1434-L1437 PolarHBondContact O-N 3.11Å; L1434-V1449 HydrophobicContact CD1-CG1 4.16Å; L1434-V1449 HydrophobicContact CD1-CG2 4.33Å; L1434-V1449 HydrophobicContact CD2-CG1 3.93Å; L1434-V1449 HydrophobicContact CG-CG1 4.47Å; L1434-V1449 WeakPolarHBondContact O-CG1 3.44Å; L1434-L1452 HydrophobicContact CD1-CD2 3.85Å; L1434-L1452 HydrophobicContact CD1-CG 4.29Å; L1434-L1452 HydrophobicContact CD2-CD2 3.77Å; L1434-L1452 HydrophobicContact CD2-CG 4.21Å; L1434-L1452 HydrophobicContact CG-CD2 4.5Å; L1434-L1453 HydrophobicContact CD2-CD1 4.06Å; L1434-L1453 HydrophobicContact CD2-CD2 3.76Å; L1434-L1453 VanDerWaalsContact CD2-CD2 3.44Å; L1434-L1453 HydrophobicContact CD2-CG 4.24Å; L1434-L1453 HydrophobicContact CG-CD2 4.19Å |
| 1435 | I | 96.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.3 | -38.1 | 178.8 | -71.2 | 171.3 | 0 | 0 | 0 | 111.5 | L1431 P1432 H1433 L1437 L1438 L1453 L1466 T1469 I1471 F1474 | L1431-I1435 HydrophobicContact CD1-CD1 3.79Å; L1431-I1435 HydrophobicContact CD1-CG1 4.22Å; L1431-I1435 HydrophobicContact CD2-CD1 4.4Å; L1431-I1435 HydrophobicContact CG-CD1 3.81Å; L1431-I1435 HydrophobicContact CG-CG1 4.47Å; L1431-I1435 WeakPolarHBondContact O-CG1 3.38Å; L1431-I1435 PolarHBondContact O-N 3.01Å; L1431-I1435 VanDerWaalsContact O-N 3.09Å; P1432-I1435 PolarHBondContact O-N 3.11Å; H1433-I1435 VanDerWaalsContact C-N 3.28Å; H1433-I1435 PolarHBondContact O-N 3.3Å; I1435-L1437 PolarHBondContact O-N 2.98Å; I1435-L1438 HydrophobicContact CG2-CD1 4.45Å; I1435-L1438 VanDerWaalsContact O-CB 3.28Å; I1435-L1438 WeakPolarHBondContact O-CB 3.38Å; I1435-L1438 WeakPolarHBondContact O-CD1 3.3Å; I1435-L1438 VanDerWaalsContact O-CG 3.24Å; I1435-L1438 WeakPolarHBondContact O-CG 3.23Å; I1435-L1438 PolarHBondContact O-N 3.19Å; I1435-L1438 VanDerWaalsContact O-N 3.1Å; I1435-L1453 HydrophobicContact CD1-CD2 4.32Å; I1435-L1453 HydrophobicContact CG1-CD1 4.03Å; I1435-L1453 HydrophobicContact CG1-CD2 3.73Å; I1435-L1466 HydrophobicContact CD1-CD1 3.81Å; I1435-T1469 HydrophobicContact CD1-CG2 3.87Å; I1435-T1469 VanDerWaalsContact CD1-OG1 3.26Å; I1435-T1469 WeakPolarHBondContact CD1-OG1 3.39Å; I1435-I1471 HydrophobicContact CD1-CB 4.34Å; I1435-I1471 HydrophobicContact CD1-CD1 4.18Å; I1435-I1471 HydrophobicContact CG1-CD1 4.21Å; I1435-I1471 HydrophobicContact CG2-CB 3.7Å; I1435-I1471 HydrophobicContact CG2-CD1 4.48Å; I1435-I1471 HydrophobicContact CG2-CG1 3.96Å; I1435-F1474 HydrophobicContact CG2-CD2 3.71Å; I1435-F1474 HydrophobicContact CG2-CE2 4.01Å |
| 1436 | Q | 94.9 | Very high | 91.8 | Very high | 2.8 Ų | 2.8 | 26.8 Ų | 26.8 | 1% | 0.013 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.6 | -21.2 | 177.9 | -73.4 | 159 | 32.9 | 0 | 0 | 113.1 | H1169 P1432 H1433 L1434 L1438 L1439 F1474 F1572 L1576 A1582 | H1169-Q1436 PolarHBondContact CE1-O 3.28Å; H1169-Q1436 VanDerWaalsContact CE1-O 3.23Å; P1432-Q1436 WeakPolarHBondContact O-CB 3.33Å; P1432-Q1436 VanDerWaalsContact O-CD 3.25Å; P1432-Q1436 WeakPolarHBondContact O-CG 3.33Å; P1432-Q1436 PolarHBondContact O-N 2.92Å; P1432-Q1436 PolarHBondContact O-NE2 3.32Å; P1432-Q1436 VanDerWaalsContact O-NE2 3.15Å; H1433-Q1436 PolarHBondContact ND1-OE1 3.38Å; H1433-Q1436 PolarHBondContact O-N 3.11Å; L1434-Q1436 VanDerWaalsContact C-N 3.34Å; Q1436-L1438 PolarHBondContact O-N 3.25Å; Q1436-L1439 VanDerWaalsContact O-CB 3.32Å; Q1436-L1439 WeakPolarHBondContact O-CB 3.37Å; Q1436-L1439 PolarHBondContact O-N 3.11Å; Q1436-F1474 HydrophobicContact CG-CE2 4Å; Q1436-F1572 HydrophobicContact CG-CE1 4.15Å; Q1436-F1572 HydrophobicContact CG-CZ 4.1Å; Q1436-F1572 VanDerWaalsContact OE1-CZ 3.27Å; Q1436-L1576 HydrophobicContact CB-CD1 4.44Å; Q1436-L1576 HydrophobicContact CB-CD2 4.14Å; Q1436-L1576 HydrophobicContact CG-CD2 4.41Å; Q1436-A1582 PolarHBondContact NE2-O 3.11Å; Q1436-A1582 PolarHBondContact OE1-O 3.11Å |
| 1437 | L | 94.3 | Very high | 91.8 | Very high | 11.4 Ų | 11.4 | 30.6 Ų | 30.6 | 6% | 0.06 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -59.1 | -18.7 | 171.7 | -65 | 176.2 | 0 | 0 | 0 | 112.9 | A1165 A1168 I1395 H1433 L1434 I1435 L1439 T1440 V1449 | A1165-L1437 HydrophobicContact CB-CD1 3.89Å; A1165-L1437 WeakPolarHBondContact O-CD2 3.36Å; A1168-L1437 HydrophobicContact CB-CD2 4.32Å; I1395-L1437 HydrophobicContact CD1-CD1 3.97Å; I1395-L1437 HydrophobicContact CG1-CD1 4.48Å; H1433-L1437 PolarHBondContact O-N 3.02Å; L1434-L1437 HydrophobicContact CD1-CD1 4.24Å; L1434-L1437 WeakPolarHBondContact O-CB 3.42Å; L1434-L1437 PolarHBondContact O-N 3.11Å; I1435-L1437 PolarHBondContact O-N 2.98Å; L1437-L1439 PolarHBondContact O-N 3.21Å; L1437-T1440 HydrophobicContact CD2-CG2 4.33Å; L1437-T1440 VanDerWaalsContact O-CB 3.27Å; L1437-T1440 WeakPolarHBondContact O-CB 3.32Å; L1437-T1440 VanDerWaalsContact O-CG2 3.24Å; L1437-T1440 WeakPolarHBondContact O-CG2 3.3Å; L1437-T1440 PolarHBondContact O-N 3.17Å; L1437-T1440 VanDerWaalsContact O-N 3.11Å; L1437-T1440 PolarHBondContact O-OG1 3.27Å; L1437-V1449 HydrophobicContact CB-CG2 3.98Å; L1437-V1449 HydrophobicContact CD1-CG2 4.12Å |
| 1438 | L | 93.6 | Very high | 92.1 | Very high | 2.2 Ų | 2.2 | 30.6 Ų | 30.6 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -63.2 | -26.9 | 172.5 | -63.1 | 170.8 | 0 | 0 | 0 | 112.7 | I1435 Q1436 T1440 F1441 V1446 V1449 V1450 L1453 I1471 F1474 I1475 | I1435-L1438 HydrophobicContact CG2-CD1 4.45Å; I1435-L1438 VanDerWaalsContact O-CB 3.28Å; I1435-L1438 WeakPolarHBondContact O-CB 3.38Å; I1435-L1438 WeakPolarHBondContact O-CD1 3.3Å; I1435-L1438 VanDerWaalsContact O-CG 3.24Å; I1435-L1438 WeakPolarHBondContact O-CG 3.23Å; I1435-L1438 PolarHBondContact O-N 3.19Å; I1435-L1438 VanDerWaalsContact O-N 3.1Å; Q1436-L1438 PolarHBondContact O-N 3.25Å; L1438-T1440 PolarHBondContact O-N 3.25Å; L1438-F1441 PolarHBondContact O-N 3.15Å; L1438-V1446 HydrophobicContact CD2-CB 4.45Å; L1438-V1446 HydrophobicContact CD2-CG1 3.96Å; L1438-V1446 HydrophobicContact CD2-CG2 4.39Å; L1438-V1449 HydrophobicContact CD2-CB 4.24Å; L1438-V1449 HydrophobicContact CD2-CG1 3.82Å; L1438-V1449 HydrophobicContact CG-CG1 4.04Å; L1438-V1450 HydrophobicContact CD2-CG2 3.74Å; L1438-L1453 HydrophobicContact CD1-CD1 4.43Å; L1438-I1471 HydrophobicContact CD1-CG1 4.15Å; L1438-F1474 HydrophobicContact CB-CB 3.93Å; L1438-F1474 HydrophobicContact CD1-CB 4.29Å; L1438-I1475 HydrophobicContact CD1-CD1 4.3Å; L1438-I1475 HydrophobicContact CD1-CG1 3.56Å; L1438-I1475 VanDerWaalsContact CD1-CG1 3.5Å |
| 1439 | L | 91.4 | Very high | 92.6 | Very high | 9.8 Ų | 9.8 | 24.5 Ų | 24.5 | 5% | 0.051 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -76.5 | 2.3 | 175.6 | -63.7 | 173.5 | 0 | 0 | 0 | 113.4 | Q1436 L1437 F1441 F1474 L1477 L1569 F1572 L1576 | Q1436-L1439 VanDerWaalsContact O-CB 3.32Å; Q1436-L1439 WeakPolarHBondContact O-CB 3.37Å; Q1436-L1439 PolarHBondContact O-N 3.11Å; L1437-L1439 PolarHBondContact O-N 3.21Å; L1439-F1441 VanDerWaalsContact C-N 3.27Å; L1439-F1441 HydrophobicContact CB-CZ 4.42Å; L1439-F1441 HydrophobicContact CD2-CE1 4.36Å; L1439-F1441 HydrophobicContact CD2-CZ 3.97Å; L1439-F1441 VanDerWaalsContact O-CD2 3.27Å; L1439-F1441 WeakPolarHBondContact O-CD2 3.46Å; L1439-F1441 VanDerWaalsContact O-CE2 3.29Å; L1439-F1441 WeakPolarHBondContact O-CE2 3.3Å; L1439-F1474 HydrophobicContact CD1-CD1 3.86Å; L1439-F1474 HydrophobicContact CD1-CD2 4.38Å; L1439-F1474 HydrophobicContact CD1-CE1 3.85Å; L1439-F1474 HydrophobicContact CD1-CE2 4.35Å; L1439-F1474 HydrophobicContact CD1-CG 4.15Å; L1439-F1474 HydrophobicContact CD1-CZ 4.12Å; L1439-F1474 HydrophobicContact CD2-CB 4.01Å; L1439-F1474 HydrophobicContact CD2-CD1 3.64Å; L1439-F1474 HydrophobicContact CD2-CE1 4.37Å; L1439-F1474 HydrophobicContact CD2-CG 3.93Å; L1439-F1474 HydrophobicContact CG-CB 4.16Å; L1439-F1474 HydrophobicContact CG-CD1 3.88Å; L1439-F1474 HydrophobicContact CG-CD2 4.33Å; L1439-F1474 HydrophobicContact CG-CE1 4.39Å; L1439-F1474 HydrophobicContact CG-CG 3.86Å; L1439-L1477 HydrophobicContact CD2-CD2 3.77Å; L1439-L1569 HydrophobicContact CD2-CD1 4.46Å; L1439-F1572 HydrophobicContact CD1-CD1 4.14Å; L1439-F1572 HydrophobicContact CD1-CE1 3.89Å; L1439-L1576 HydrophobicContact CB-CD1 4.32Å; L1439-L1576 HydrophobicContact CD1-CD1 3.59Å; L1439-L1576 HydrophobicContact CD1-CD2 3.84Å |
| 1440 | T | 87.8 | Confident | 93.2 | Very high | 20.2 Ų | 20.2 | 21.6 Ų | 21.6 | 12% | 0.124 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -75.2 | -21.1 | 169.9 | 63.9 | 0 | 0 | 0 | 0 | 112.4 | A1168 R1174 L1437 L1438 D1442 L1445 | A1168-T1440 HydrophobicContact CB-CG2 4.08Å; R1174-T1440 PolarHBondContact NH1-O 2.79Å; L1437-T1440 HydrophobicContact CD2-CG2 4.33Å; L1437-T1440 VanDerWaalsContact O-CB 3.27Å; L1437-T1440 WeakPolarHBondContact O-CB 3.32Å; L1437-T1440 VanDerWaalsContact O-CG2 3.24Å; L1437-T1440 WeakPolarHBondContact O-CG2 3.3Å; L1437-T1440 PolarHBondContact O-N 3.17Å; L1437-T1440 VanDerWaalsContact O-N 3.11Å; L1437-T1440 PolarHBondContact O-OG1 3.27Å; L1438-T1440 PolarHBondContact O-N 3.25Å; T1440-D1442 PolarHBondContact O-N 3.17Å; T1440-D1442 VanDerWaalsContact O-N 3.13Å; T1440-L1445 HydrophobicContact CG2-CD2 4.11Å; T1440-L1445 WeakPolarHBondContact OG1-CD2 3.27Å |
| 1441 | F | 87.2 | Confident | 93.3 | Very high | 54.2 Ų | 54.2 | 22.4 Ų | 22.4 | 24% | 0.238 | 12% | 0.118 | C | C | . | . | trans | 55.3 | 18.1 | -176 | -51 | -70.4 | 0 | 0 | 0 | 115.2 | T1177 L1438 L1439 P1443 L1477 Y1478 | T1177-F1441 HydrophobicContact CG2-CD1 4.49Å; T1177-F1441 HydrophobicContact CG2-CD2 3.77Å; T1177-F1441 VanDerWaalsContact CG2-CD2 3.41Å; T1177-F1441 HydrophobicContact CG2-CE2 3.68Å; T1177-F1441 VanDerWaalsContact CG2-CE2 3.47Å; T1177-F1441 HydrophobicContact CG2-CG 3.96Å; T1177-F1441 HydrophobicContact CG2-CZ 4.07Å; L1438-F1441 PolarHBondContact O-N 3.15Å; L1439-F1441 VanDerWaalsContact C-N 3.27Å; L1439-F1441 HydrophobicContact CB-CZ 4.42Å; L1439-F1441 HydrophobicContact CD2-CE1 4.36Å; L1439-F1441 HydrophobicContact CD2-CZ 3.97Å; L1439-F1441 VanDerWaalsContact O-CD2 3.27Å; L1439-F1441 WeakPolarHBondContact O-CD2 3.46Å; L1439-F1441 VanDerWaalsContact O-CE2 3.29Å; L1439-F1441 WeakPolarHBondContact O-CE2 3.3Å; F1441-P1443 WeakPolarHBondContact O-CD 3.4Å; F1441-L1477 HydrophobicContact CE1-CB 4.11Å; F1441-L1477 HydrophobicContact CE1-CD2 4.01Å; F1441-L1477 HydrophobicContact CE1-CG 3.66Å; F1441-L1477 WeakPolarHBondContact CE1-O 3.24Å; F1441-L1477 HydrophobicContact CZ-CB 4.47Å; F1441-L1477 HydrophobicContact CZ-CD2 3.56Å; F1441-L1477 HydrophobicContact CZ-CG 3.69Å; F1441-Y1478 HydrophobicContact CB-CD2 4.49Å; F1441-Y1478 HydrophobicContact CD1-CD2 4.27Å | ||
| 1442 | D | 88.3 | Confident | 93.4 | Very high | 35.6 Ų | 35.6 | 22.1 Ų | 22.1 | 19% | 0.19 | 12% | 0.116 | C | C | . | . | trans | -85.8 | 119 | 178.3 | 176.7 | 69.6 | 0 | 0 | 0 | 110.8 | T1388 T1440 P1444 L1445 V1446 | T1388-D1442 HydrophobicContact CG2-CB 4.19Å; T1388-D1442 VanDerWaalsContact CG2-CG 3.44Å; T1388-D1442 VanDerWaalsContact CG2-OD1 3.25Å; T1388-D1442 WeakPolarHBondContact CG2-OD1 3.39Å; T1388-D1442 WeakPolarHBondContact CG2-OD2 3.33Å; T1440-D1442 PolarHBondContact O-N 3.17Å; T1440-D1442 VanDerWaalsContact O-N 3.13Å; D1442-P1444 WeakPolarHBondContact OD1-CD 3.33Å; D1442-P1444 WeakPolarHBondContact OD1-CG 3.34Å; D1442-P1444 VanDerWaalsContact OD2-CD 3.22Å; D1442-P1444 WeakPolarHBondContact OD2-CD 3.41Å; D1442-P1444 VanDerWaalsContact OD2-CG 3.28Å; D1442-P1444 WeakPolarHBondContact OD2-CG 3.35Å; D1442-L1445 HydrophobicContact CB-CB 4.09Å; D1442-L1445 PolarHBondContact O-N 3.24Å; D1442-L1445 VanDerWaalsContact OD1-CB 3.23Å; D1442-L1445 WeakPolarHBondContact OD1-CB 3.07Å; D1442-L1445 PolarHBondContact OD1-N 3.14Å; D1442-L1445 VanDerWaalsContact OD2-CB 3.24Å; D1442-L1445 WeakPolarHBondContact OD2-CB 3.41Å; D1442-L1445 PolarHBondContact OD2-N 3.12Å; D1442-V1446 WeakPolarHBondContact O-CB 3.39Å; D1442-V1446 VanDerWaalsContact O-CG2 3.24Å; D1442-V1446 WeakPolarHBondContact O-CG2 3.29Å; D1442-V1446 PolarHBondContact O-N 3.22Å | ||
| 1443 | P | 90.9 | Very high | 93.5 | Very high | 53.2 Ų | 53.2 | 21.8 Ų | 21.8 | 35% | 0.345 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -56.1 | -51.2 | -173.3 | -22.7 | 30.7 | 0 | 0 | 0 | 116.2 | F1441 L1445 V1446 E1447 Y1478 N1482 | F1441-P1443 WeakPolarHBondContact O-CD 3.4Å; P1443-L1445 VanDerWaalsContact C-N 3.3Å; P1443-L1445 PolarHBondContact O-N 3.36Å; P1443-V1446 PolarHBondContact O-N 3.13Å; P1443-E1447 WeakPolarHBondContact O-CB 3.3Å; P1443-E1447 PolarHBondContact O-N 3.14Å; P1443-E1447 VanDerWaalsContact O-N 3.1Å; P1443-Y1478 WeakPolarHBondContact CA-OH 3.34Å; P1443-Y1478 VanDerWaalsContact CB-OH 3.23Å; P1443-Y1478 WeakPolarHBondContact CB-OH 3.27Å; P1443-Y1478 WeakPolarHBondContact CG-OH 3.37Å; P1443-N1482 PolarHBondContact O-ND2 3.22Å; P1443-N1482 VanDerWaalsContact O-ND2 3.08Å |
| 1444 | P | 90.9 | Very high | 93.5 | Very high | 51 Ų | 51 | 24.9 Ų | 24.9 | 33% | 0.331 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -68.7 | -28.9 | -178.3 | 25.7 | -32.6 | 0 | 0 | 0 | 113 | I1392 D1442 R1448 | I1392-P1444 HydrophobicContact CD1-CB 3.98Å; I1392-P1444 HydrophobicContact CD1-CG 4.08Å; D1442-P1444 WeakPolarHBondContact OD1-CD 3.33Å; D1442-P1444 WeakPolarHBondContact OD1-CG 3.34Å; D1442-P1444 VanDerWaalsContact OD2-CD 3.22Å; D1442-P1444 WeakPolarHBondContact OD2-CD 3.41Å; D1442-P1444 VanDerWaalsContact OD2-CG 3.28Å; D1442-P1444 WeakPolarHBondContact OD2-CG 3.35Å; P1444-R1448 WeakPolarHBondContact O-CD 3.29Å; P1444-R1448 WeakPolarHBondContact O-CG 3.4Å; P1444-R1448 PolarHBondContact O-N 2.99Å; P1444-R1448 PolarHBondContact O-NH1 3.07Å |
| 1445 | L | 92.7 | Very high | 93.3 | Very high | 0.8 Ų | 0.8 | 25.7 Ų | 25.7 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -73.5 | -48.5 | 173.7 | -178.6 | 58.3 | 0 | 0 | 0 | 111.8 | A1168 T1388 A1391 I1392 I1395 T1440 D1442 P1443 E1447 R1448 V1449 | A1168-L1445 HydrophobicContact CB-CD2 3.96Å; T1388-L1445 HydrophobicContact CG2-CB 4.34Å; T1388-L1445 HydrophobicContact CG2-CD2 4.38Å; A1391-L1445 HydrophobicContact CB-CD1 3.96Å; A1391-L1445 HydrophobicContact CB-CD2 4.21Å; I1392-L1445 HydrophobicContact CG1-CB 4.26Å; I1392-L1445 HydrophobicContact CG1-CD1 4.19Å; I1395-L1445 HydrophobicContact CG1-CD1 4.09Å; T1440-L1445 HydrophobicContact CG2-CD2 4.11Å; T1440-L1445 WeakPolarHBondContact OG1-CD2 3.27Å; D1442-L1445 HydrophobicContact CB-CB 4.09Å; D1442-L1445 PolarHBondContact O-N 3.24Å; D1442-L1445 VanDerWaalsContact OD1-CB 3.23Å; D1442-L1445 WeakPolarHBondContact OD1-CB 3.07Å; D1442-L1445 PolarHBondContact OD1-N 3.14Å; D1442-L1445 VanDerWaalsContact OD2-CB 3.24Å; D1442-L1445 WeakPolarHBondContact OD2-CB 3.41Å; D1442-L1445 PolarHBondContact OD2-N 3.12Å; P1443-L1445 VanDerWaalsContact C-N 3.3Å; P1443-L1445 PolarHBondContact O-N 3.36Å; L1445-E1447 VanDerWaalsContact C-N 3.31Å; L1445-E1447 PolarHBondContact O-N 3.06Å; L1445-R1448 PolarHBondContact O-N 3.15Å; L1445-R1448 VanDerWaalsContact O-N 3.16Å; L1445-V1449 HydrophobicContact CD1-CG2 4Å; L1445-V1449 HydrophobicContact CG-CG2 4.26Å; L1445-V1449 WeakPolarHBondContact O-CB 3.29Å; L1445-V1449 VanDerWaalsContact O-CG2 3.3Å; L1445-V1449 WeakPolarHBondContact O-CG2 3.4Å; L1445-V1449 PolarHBondContact O-N 3.06Å |
| 1446 | V | 94.1 | Very high | 93.2 | Very high | 1.6 Ų | 1.6 | 25.7 Ų | 25.7 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.2 | -45.9 | 179.4 | 166.9 | 0 | 0 | 0 | 0 | 110.8 | L1438 D1442 P1443 R1448 V1449 V1450 Y1478 I1486 | L1438-V1446 HydrophobicContact CD2-CB 4.45Å; L1438-V1446 HydrophobicContact CD2-CG1 3.96Å; L1438-V1446 HydrophobicContact CD2-CG2 4.39Å; D1442-V1446 WeakPolarHBondContact O-CB 3.39Å; D1442-V1446 VanDerWaalsContact O-CG2 3.24Å; D1442-V1446 WeakPolarHBondContact O-CG2 3.29Å; D1442-V1446 PolarHBondContact O-N 3.22Å; P1443-V1446 PolarHBondContact O-N 3.13Å; V1446-R1448 VanDerWaalsContact C-N 3.34Å; V1446-R1448 PolarHBondContact O-N 3.18Å; V1446-V1449 PolarHBondContact O-N 3.27Å; V1446-V1450 HydrophobicContact CG1-CG2 4.34Å; V1446-V1450 WeakPolarHBondContact O-CB 3.41Å; V1446-V1450 VanDerWaalsContact O-CG2 3.29Å; V1446-V1450 WeakPolarHBondContact O-CG2 3.31Å; V1446-V1450 PolarHBondContact O-N 3.17Å; V1446-Y1478 HydrophobicContact CB-CD2 4.45Å; V1446-Y1478 HydrophobicContact CB-CE2 4.16Å; V1446-Y1478 HydrophobicContact CG1-CD1 4.21Å; V1446-Y1478 HydrophobicContact CG1-CD2 4.15Å; V1446-Y1478 HydrophobicContact CG1-CE1 4.19Å; V1446-Y1478 HydrophobicContact CG1-CE2 4.17Å; V1446-Y1478 HydrophobicContact CG1-CG 4.18Å; V1446-Y1478 HydrophobicContact CG2-CD2 3.95Å; V1446-Y1478 HydrophobicContact CG2-CE2 3.85Å; V1446-I1486 HydrophobicContact CG1-CD1 4.16Å |
| 1447 | E | 94.4 | Very high | 93.2 | Very high | 86.2 Ų | 86.2 | 25.8 Ų | 25.8 | 40% | 0.403 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -58.6 | -44.8 | 177.9 | 177.7 | 168.5 | 168 | 0 | 0 | 112.9 | P1443 L1445 S1451 N1482 P1485 | P1443-E1447 WeakPolarHBondContact O-CB 3.3Å; P1443-E1447 PolarHBondContact O-N 3.14Å; P1443-E1447 VanDerWaalsContact O-N 3.1Å; L1445-E1447 VanDerWaalsContact C-N 3.31Å; L1445-E1447 PolarHBondContact O-N 3.06Å; E1447-S1451 VanDerWaalsContact O-CB 3.26Å; E1447-S1451 WeakPolarHBondContact O-CB 3.38Å; E1447-S1451 PolarHBondContact O-N 3.08Å; E1447-S1451 PolarHBondContact O-OG 3.37Å; E1447-N1482 PolarHBondContact OE2-ND2 3.36Å; E1447-P1485 HydrophobicContact CG-CG 4.02Å |
| 1448 | R | 95 | Very high | 93 | Very high | 77.8 Ų | 77.8 | 27.5 Ų | 27.5 | 29% | 0.294 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -69.1 | -39.8 | 178.5 | -74.6 | 171.4 | 171.9 | 78.4 | -3 | 112.3 | I1392 I1395 D1396 P1444 L1445 V1446 S1451 L1452 | I1392-R1448 VanDerWaalsContact CG2-NE 3.33Å; I1395-R1448 HydrophobicContact CB-CB 4.46Å; I1395-R1448 HydrophobicContact CG2-CB 3.78Å; D1396-R1448 VanDerWaalsContact OD1-CD 3.3Å; D1396-R1448 WeakPolarHBondContact OD1-CD 3.39Å; D1396-R1448 IonicContact OD1-NE 3.32Å; D1396-R1448 PolarHBondContact OD1-NE 3.14Å; D1396-R1448 VanDerWaalsContact OD1-NE 3.14Å; D1396-R1448 IonicContact OD2-NE 3.32Å; D1396-R1448 PolarHBondContact OD2-NE 3.2Å; P1444-R1448 WeakPolarHBondContact O-CD 3.29Å; P1444-R1448 WeakPolarHBondContact O-CG 3.4Å; P1444-R1448 PolarHBondContact O-N 2.99Å; P1444-R1448 PolarHBondContact O-NH1 3.07Å; L1445-R1448 PolarHBondContact O-N 3.15Å; L1445-R1448 VanDerWaalsContact O-N 3.16Å; V1446-R1448 VanDerWaalsContact C-N 3.34Å; V1446-R1448 PolarHBondContact O-N 3.18Å; R1448-S1451 PolarHBondContact O-N 3.18Å; R1448-L1452 WeakPolarHBondContact O-CB 3.44Å; R1448-L1452 PolarHBondContact O-N 3.1Å |
| 1449 | V | 97.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.5 | -48.6 | 176.1 | 170.6 | 0 | 0 | 0 | 0 | 110.1 | I1395 L1434 L1437 L1438 L1445 V1446 S1451 L1452 L1453 | I1395-V1449 HydrophobicContact CD1-CG2 4.41Å; I1395-V1449 HydrophobicContact CG1-CG2 4.12Å; L1434-V1449 HydrophobicContact CD1-CG1 4.16Å; L1434-V1449 HydrophobicContact CD1-CG2 4.33Å; L1434-V1449 HydrophobicContact CD2-CG1 3.93Å; L1434-V1449 HydrophobicContact CG-CG1 4.47Å; L1434-V1449 WeakPolarHBondContact O-CG1 3.44Å; L1437-V1449 HydrophobicContact CB-CG2 3.98Å; L1437-V1449 HydrophobicContact CD1-CG2 4.12Å; L1438-V1449 HydrophobicContact CD2-CB 4.24Å; L1438-V1449 HydrophobicContact CD2-CG1 3.82Å; L1438-V1449 HydrophobicContact CG-CG1 4.04Å; L1445-V1449 HydrophobicContact CD1-CG2 4Å; L1445-V1449 HydrophobicContact CG-CG2 4.26Å; L1445-V1449 WeakPolarHBondContact O-CB 3.29Å; L1445-V1449 VanDerWaalsContact O-CG2 3.3Å; L1445-V1449 WeakPolarHBondContact O-CG2 3.4Å; L1445-V1449 PolarHBondContact O-N 3.06Å; V1446-V1449 PolarHBondContact O-N 3.27Å; V1449-S1451 VanDerWaalsContact C-N 3.33Å; V1449-S1451 PolarHBondContact O-N 2.93Å; V1449-L1452 PolarHBondContact O-N 3.26Å; V1449-L1453 HydrophobicContact CG1-CD1 3.78Å; V1449-L1453 HydrophobicContact CG1-CG 4.34Å; V1449-L1453 WeakPolarHBondContact O-CB 3.38Å; V1449-L1453 VanDerWaalsContact O-CG 3.24Å; V1449-L1453 WeakPolarHBondContact O-CG 3.39Å; V1449-L1453 PolarHBondContact O-N 3.07Å |
| 1450 | V | 96.7 | Very high | 92.6 | Very high | 1.6 Ų | 1.6 | 30.7 Ų | 30.7 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 177.1 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | L1438 V1446 L1452 L1453 H1454 P1485 I1486 F1489 | L1438-V1450 HydrophobicContact CD2-CG2 3.74Å; V1446-V1450 HydrophobicContact CG1-CG2 4.34Å; V1446-V1450 WeakPolarHBondContact O-CB 3.41Å; V1446-V1450 VanDerWaalsContact O-CG2 3.29Å; V1446-V1450 WeakPolarHBondContact O-CG2 3.31Å; V1446-V1450 PolarHBondContact O-N 3.17Å; V1450-L1452 PolarHBondContact O-N 3.11Å; V1450-L1453 PolarHBondContact O-N 3.22Å; V1450-H1454 WeakPolarHBondContact O-CB 3.31Å; V1450-H1454 PolarHBondContact O-N 3.33Å; V1450-P1485 HydrophobicContact CB-CB 4.45Å; V1450-P1485 HydrophobicContact CG1-CB 4.04Å; V1450-P1485 WeakPolarHBondContact CG1-O 3.33Å; V1450-I1486 HydrophobicContact CG1-CG1 4.34Å; V1450-I1486 HydrophobicContact CG2-CG1 3.83Å; V1450-F1489 HydrophobicContact CG1-CB 3.79Å; V1450-F1489 HydrophobicContact CG1-CG 4.23Å |
| 1451 | S | 95.3 | Very high | 92.7 | Very high | 33.2 Ų | 33.2 | 33.6 Ų | 33.6 | 23% | 0.232 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.3 | -41.9 | 176.9 | -153.4 | 0 | 0 | 0 | 0 | 112.6 | R1399 E1447 R1448 V1449 H1454 A1455 | R1399-S1451 PolarHBondContact NE-OG 3.38Å; R1399-S1451 PolarHBondContact NH1-OG 3.42Å; R1399-S1451 PolarHBondContact NH2-OG 3.16Å; R1399-S1451 VanDerWaalsContact NH2-OG 3.1Å; E1447-S1451 VanDerWaalsContact O-CB 3.26Å; E1447-S1451 WeakPolarHBondContact O-CB 3.38Å; E1447-S1451 PolarHBondContact O-N 3.08Å; E1447-S1451 PolarHBondContact O-OG 3.37Å; R1448-S1451 PolarHBondContact O-N 3.18Å; V1449-S1451 VanDerWaalsContact C-N 3.33Å; V1449-S1451 PolarHBondContact O-N 2.93Å; S1451-H1454 PolarHBondContact O-N 3.22Å; S1451-A1455 PolarHBondContact O-N 3.07Å |
| 1452 | L | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.8 | -45.2 | 172.9 | 175.2 | 59.9 | 0 | 0 | 0 | 111.3 | I1395 L1398 R1399 I1425 L1434 R1448 V1449 V1450 H1454 A1455 V1456 | I1395-L1452 HydrophobicContact CD1-CD2 4.32Å; I1395-L1452 HydrophobicContact CG2-CB 4.1Å; I1395-L1452 HydrophobicContact CG2-CD2 3.92Å; L1398-L1452 HydrophobicContact CB-CD1 4.31Å; L1398-L1452 HydrophobicContact CB-CD2 3.71Å; L1398-L1452 HydrophobicContact CD1-CD2 4.07Å; R1399-L1452 HydrophobicContact CB-CD1 4.15Å; I1425-L1452 HydrophobicContact CD1-CD1 4.33Å; L1434-L1452 HydrophobicContact CD1-CD2 3.85Å; L1434-L1452 HydrophobicContact CD1-CG 4.29Å; L1434-L1452 HydrophobicContact CD2-CD2 3.77Å; L1434-L1452 HydrophobicContact CD2-CG 4.21Å; L1434-L1452 HydrophobicContact CG-CD2 4.5Å; R1448-L1452 WeakPolarHBondContact O-CB 3.44Å; R1448-L1452 PolarHBondContact O-N 3.1Å; V1449-L1452 PolarHBondContact O-N 3.26Å; V1450-L1452 PolarHBondContact O-N 3.11Å; L1452-H1454 VanDerWaalsContact C-N 3.3Å; L1452-H1454 PolarHBondContact O-N 3.11Å; L1452-A1455 PolarHBondContact O-N 3.1Å; L1452-A1455 VanDerWaalsContact O-N 3.15Å; L1452-V1456 HydrophobicContact CD1-CG2 3.76Å; L1452-V1456 HydrophobicContact CG-CG2 4.12Å; L1452-V1456 VanDerWaalsContact O-CG2 3.25Å; L1452-V1456 WeakPolarHBondContact O-CG2 3.39Å; L1452-V1456 PolarHBondContact O-N 3.08Å |
| 1453 | L | 96.3 | Very high | 93 | Very high | 0.8 Ų | 0.8 | 33.4 Ų | 33.4 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.8 | -39.7 | 178.8 | -73.3 | 169.1 | 0 | 0 | 0 | 111.6 | L1431 L1434 I1435 L1438 V1449 V1450 A1455 V1456 M1457 I1471 F1489 | L1431-L1453 HydrophobicContact CD1-CD2 3.98Å; L1434-L1453 HydrophobicContact CD2-CD1 4.06Å; L1434-L1453 HydrophobicContact CD2-CD2 3.76Å; L1434-L1453 VanDerWaalsContact CD2-CD2 3.44Å; L1434-L1453 HydrophobicContact CD2-CG 4.24Å; L1434-L1453 HydrophobicContact CG-CD2 4.19Å; I1435-L1453 HydrophobicContact CD1-CD2 4.32Å; I1435-L1453 HydrophobicContact CG1-CD1 4.03Å; I1435-L1453 HydrophobicContact CG1-CD2 3.73Å; L1438-L1453 HydrophobicContact CD1-CD1 4.43Å; V1449-L1453 HydrophobicContact CG1-CD1 3.78Å; V1449-L1453 HydrophobicContact CG1-CG 4.34Å; V1449-L1453 WeakPolarHBondContact O-CB 3.38Å; V1449-L1453 VanDerWaalsContact O-CG 3.24Å; V1449-L1453 WeakPolarHBondContact O-CG 3.39Å; V1449-L1453 PolarHBondContact O-N 3.07Å; V1450-L1453 PolarHBondContact O-N 3.22Å; L1453-A1455 VanDerWaalsContact C-N 3.35Å; L1453-A1455 PolarHBondContact O-N 3.14Å; L1453-V1456 PolarHBondContact O-N 3.22Å; L1453-M1457 VanDerWaalsContact O-CB 3.26Å; L1453-M1457 WeakPolarHBondContact O-CB 3.25Å; L1453-M1457 VanDerWaalsContact O-CG 3.23Å; L1453-M1457 WeakPolarHBondContact O-CG 3.43Å; L1453-M1457 PolarHBondContact O-N 3.35Å; L1453-I1471 HydrophobicContact CD1-CD1 3.85Å; L1453-F1489 HydrophobicContact CB-CE2 4.01Å; L1453-F1489 HydrophobicContact CB-CZ 4.43Å |
| 1454 | H | 93.7 | Very high | 93 | Very high | 77 Ų | 77 | 33.3 Ų | 33.3 | 36% | 0.356 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.6 | -45.2 | 174.4 | -164.1 | -123.6 | 0 | 0 | 0 | 111.6 | V1450 S1451 L1452 V1456 M1457 D1458 F1489 D1492 | V1450-H1454 WeakPolarHBondContact O-CB 3.31Å; V1450-H1454 PolarHBondContact O-N 3.33Å; S1451-H1454 PolarHBondContact O-N 3.22Å; L1452-H1454 VanDerWaalsContact C-N 3.3Å; L1452-H1454 PolarHBondContact O-N 3.11Å; H1454-V1456 PolarHBondContact O-N 2.96Å; H1454-M1457 PolarHBondContact O-N 3.1Å; H1454-D1458 PolarHBondContact O-N 3.15Å; H1454-F1489 HydrophobicContact CB-CD2 4.11Å; H1454-F1489 AromaticContact CD2-CD2 3.91Å; H1454-D1492 IonicContact CD2-OD2 3.09Å; H1454-D1492 IonicContact CE1-OD2 3.43Å; H1454-D1492 PolarHBondContact CE1-OD2 2.99Å; H1454-D1492 IonicContact NE2-OD2 2.88Å; H1454-D1492 PolarHBondContact NE2-OD2 3.19Å |
| 1455 | A | 92.4 | Very high | 93.1 | Very high | 19.8 Ų | 19.8 | 39.2 Ų | 39.2 | 16% | 0.164 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.3 | -37.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | C1402 R1422 S1451 L1452 L1453 | C1402-A1455 HydrophobicContact CB-CB 4.36Å; R1422-A1455 WeakPolarHBondContact CD-O 3.42Å; R1422-A1455 PolarHBondContact NE-O 3.29Å; R1422-A1455 PolarHBondContact NH1-O 3.12Å; S1451-A1455 PolarHBondContact O-N 3.07Å; L1452-A1455 PolarHBondContact O-N 3.1Å; L1452-A1455 VanDerWaalsContact O-N 3.15Å; L1453-A1455 VanDerWaalsContact C-N 3.35Å; L1453-A1455 PolarHBondContact O-N 3.14Å |
| 1456 | V | 94 | Very high | 93.1 | Very high | 0.2 Ų | 0.2 | 39.4 Ų | 39.4 | 0% | 0.001 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -74.5 | -33.6 | 179.8 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | I1425 S1426 L1452 L1453 H1454 N1460 | I1425-V1456 HydrophobicContact CB-CG1 4.3Å; I1425-V1456 HydrophobicContact CB-CG2 4.31Å; I1425-V1456 HydrophobicContact CD1-CG2 4.01Å; I1425-V1456 HydrophobicContact CG2-CG1 4.07Å; I1425-V1456 HydrophobicContact CG2-CG2 3.93Å; S1426-V1456 WeakPolarHBondContact OG-CG1 3.28Å; L1452-V1456 HydrophobicContact CD1-CG2 3.76Å; L1452-V1456 HydrophobicContact CG-CG2 4.12Å; L1452-V1456 VanDerWaalsContact O-CG2 3.25Å; L1452-V1456 WeakPolarHBondContact O-CG2 3.39Å; L1452-V1456 PolarHBondContact O-N 3.08Å; L1453-V1456 PolarHBondContact O-N 3.22Å; H1454-V1456 PolarHBondContact O-N 2.96Å; V1456-N1460 PolarHBondContact O-ND2 2.94Å |
| 1457 | M | 93.3 | Very high | 92.9 | Very high | 4.4 Ų | 4.4 | 41 Ų | 41 | 2% | 0.022 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -83.2 | -13.8 | -178 | -69.6 | -57.2 | 124.3 | 0 | 0 | 114.1 | L1431 L1453 H1454 Q1459 N1460 L1463 L1466 F1489 | L1431-M1457 HydrophobicContact CD1-CE 3.75Å; L1431-M1457 HydrophobicContact CD2-CE 4Å; L1431-M1457 HydrophobicContact CG-CE 4.45Å; L1453-M1457 VanDerWaalsContact O-CB 3.26Å; L1453-M1457 WeakPolarHBondContact O-CB 3.25Å; L1453-M1457 VanDerWaalsContact O-CG 3.23Å; L1453-M1457 WeakPolarHBondContact O-CG 3.43Å; L1453-M1457 PolarHBondContact O-N 3.35Å; H1454-M1457 PolarHBondContact O-N 3.1Å; M1457-Q1459 PolarHBondContact O-N 3.06Å; M1457-Q1459 VanDerWaalsContact O-N 3.09Å; M1457-N1460 HydrophobicContact CE-CB 4.44Å; M1457-N1460 WeakPolarHBondContact CE-ND2 3.49Å; M1457-N1460 VanDerWaalsContact O-CB 3.27Å; M1457-N1460 WeakPolarHBondContact O-CB 3.29Å; M1457-N1460 PolarHBondContact O-N 3.14Å; M1457-N1460 HydrophobicContact SD-CB 4.17Å; M1457-L1463 HydrophobicContact CB-CD1 4.21Å; M1457-L1463 HydrophobicContact CB-CD2 4.05Å; M1457-L1463 HydrophobicContact CG-CD1 4.33Å; M1457-L1463 HydrophobicContact CG-CD2 4.49Å; M1457-L1463 WeakPolarHBondContact O-CD1 3.25Å; M1457-L1463 HydrophobicContact SD-CD1 4.26Å; M1457-L1463 HydrophobicContact SD-CD2 4.41Å; M1457-L1466 HydrophobicContact CE-CD1 4.13Å; M1457-L1466 HydrophobicContact CG-CD2 3.99Å; M1457-L1466 HydrophobicContact SD-CD1 3.87Å; M1457-L1466 HydrophobicContact SD-CD2 3.92Å; M1457-L1466 HydrophobicContact SD-CG 4.38Å; M1457-F1489 HydrophobicContact CB-CE2 4.43Å; M1457-F1489 HydrophobicContact CG-CE2 4.33Å |
| 1458 | D | 90.7 | Very high | 92.8 | Very high | 47.2 Ų | 47.2 | 40.4 Ų | 40.4 | 25% | 0.252 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 116 | 174.9 | 178.2 | 42.2 | 0 | 0 | 0 | 111.3 | S1407 R1408 R1422 H1454 N1460 | S1407-D1458 WeakPolarHBondContact CB-OD2 3.3Å; S1407-D1458 PolarHBondContact OG-OD2 3.11Å; R1408-D1458 IonicContact CZ-OD1 3.39Å; R1408-D1458 IonicContact NE-OD1 3.19Å; R1408-D1458 IonicContact NE-OD2 3.29Å; R1408-D1458 IonicContact NH2-OD1 3.41Å; R1408-D1458 PolarHBondContact NH2-OD1 3.09Å; R1408-D1458 IonicContact NH2-OD2 3.96Å; R1422-D1458 IonicContact NH1-OD2 3.48Å; R1422-D1458 PolarHBondContact NH1-OD2 2.8Å; H1454-D1458 PolarHBondContact O-N 3.15Å; D1458-N1460 PolarHBondContact O-N 2.93Å |
| 1459 | Q | 86.4 | Confident | 92.6 | Very high | 73 Ų | 73 | 37.4 Ų | 37.4 | 34% | 0.341 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 30.1 | -175.2 | -51.8 | -53.7 | -47.2 | 0 | 0 | 114.4 | R1408 V1414 R1416 M1457 | R1408-Q1459 VanDerWaalsContact NH2-NE2 3.11Å; V1414-Q1459 HydrophobicContact CG1-CB 3.75Å; V1414-Q1459 HydrophobicContact CG1-CG 4.14Å; V1414-Q1459 HydrophobicContact CG2-CB 4.44Å; V1414-Q1459 HydrophobicContact CG2-CG 3.97Å; R1416-Q1459 VanDerWaalsContact CZ-O 3.23Å; R1416-Q1459 PolarHBondContact NH1-O 3.22Å; R1416-Q1459 PolarHBondContact NH2-O 3.17Å; M1457-Q1459 PolarHBondContact O-N 3.06Å; M1457-Q1459 VanDerWaalsContact O-N 3.09Å |
| 1460 | N | 91.5 | Very high | 92.3 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 3% | 0.032 | 19% | 0.192 | C | C | . | . | trans | -82.9 | 125.9 | -178.5 | -165.4 | -39.6 | 0 | 0 | 0 | 112.1 | L1418 S1426 V1456 M1457 D1458 L1462 L1463 | L1418-N1460 HydrophobicContact CD1-CB 4.28Å; S1426-N1460 PolarHBondContact OG-ND2 3.2Å; V1456-N1460 PolarHBondContact O-ND2 2.94Å; M1457-N1460 HydrophobicContact CE-CB 4.44Å; M1457-N1460 WeakPolarHBondContact CE-ND2 3.49Å; M1457-N1460 VanDerWaalsContact O-CB 3.27Å; M1457-N1460 WeakPolarHBondContact O-CB 3.29Å; M1457-N1460 PolarHBondContact O-N 3.14Å; M1457-N1460 HydrophobicContact SD-CB 4.17Å; D1458-N1460 PolarHBondContact O-N 2.93Å; N1460-L1462 PolarHBondContact O-N 3.22Å; N1460-L1462 VanDerWaalsContact O-N 3.14Å; N1460-L1462 VanDerWaalsContact OD1-CB 3.3Å; N1460-L1462 WeakPolarHBondContact OD1-CB 3.41Å; N1460-L1462 WeakPolarHBondContact OD1-CG 3.19Å; N1460-L1462 PolarHBondContact OD1-N 3.2Å; N1460-L1463 HydrophobicContact CB-CG 4.38Å; N1460-L1463 WeakPolarHBondContact O-CB 3.37Å; N1460-L1463 WeakPolarHBondContact O-CD1 3.24Å; N1460-L1463 VanDerWaalsContact O-CG 3.31Å; N1460-L1463 WeakPolarHBondContact O-CG 3.44Å; N1460-L1463 PolarHBondContact O-N 3.09Å; N1460-L1463 VanDerWaalsContact O-N 3.1Å | ||
| 1461 | P | 89.5 | Confident | 92.3 | Very high | 82.8 Ų | 82.8 | 37.4 Ų | 37.4 | 54% | 0.538 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -14.8 | 179.1 | 29.1 | -34.9 | 0 | 0 | 0 | 113.8 | L1418 L1463 P1464 | L1418-P1461 VanDerWaalsContact CD1-CD 3.48Å; L1418-P1461 HydrophobicContact CD1-CG 4.28Å; P1461-L1463 VanDerWaalsContact C-N 3.3Å; P1461-P1464 VanDerWaalsContact O-CD 3.28Å; P1461-P1464 WeakPolarHBondContact O-CD 3.3Å |
| 1462 | L | 89.7 | Confident | 92.3 | Very high | 68 Ų | 68 | 36 Ų | 36 | 36% | 0.356 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -12 | 174 | -61.5 | -178.6 | 0 | 0 | 0 | 113.2 | S1426 L1431 N1460 P1464 R1465 L1466 | S1426-L1462 VanDerWaalsContact O-CD1 3.27Å; S1426-L1462 WeakPolarHBondContact O-CD1 3.32Å; L1431-L1462 HydrophobicContact CD2-CD1 4.07Å; N1460-L1462 PolarHBondContact O-N 3.22Å; N1460-L1462 VanDerWaalsContact O-N 3.14Å; N1460-L1462 VanDerWaalsContact OD1-CB 3.3Å; N1460-L1462 WeakPolarHBondContact OD1-CB 3.41Å; N1460-L1462 WeakPolarHBondContact OD1-CG 3.19Å; N1460-L1462 PolarHBondContact OD1-N 3.2Å; L1462-P1464 VanDerWaalsContact C-CD 3.42Å; L1462-P1464 VanDerWaalsContact C-N 3.31Å; L1462-P1464 VanDerWaalsContact O-N 3.14Å; L1462-R1465 CarbonylContact O-C 3.55Å; L1462-R1465 WeakPolarHBondContact O-CA 3.37Å; L1462-R1465 PolarHBondContact O-N 3.11Å; L1462-L1466 PolarHBondContact O-N 3.25Å |
| 1463 | L | 91.6 | Very high | 92.1 | Very high | 17.8 Ų | 17.8 | 36.2 Ų | 36.2 | 9% | 0.093 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -49.1 | -43.2 | -178.2 | -161.4 | 100.9 | 0 | 0 | 0 | 113.5 | M1457 N1460 P1461 R1465 L1466 V1493 L1496 Q1497 | M1457-L1463 HydrophobicContact CB-CD1 4.21Å; M1457-L1463 HydrophobicContact CB-CD2 4.05Å; M1457-L1463 HydrophobicContact CG-CD1 4.33Å; M1457-L1463 HydrophobicContact CG-CD2 4.49Å; M1457-L1463 WeakPolarHBondContact O-CD1 3.25Å; M1457-L1463 HydrophobicContact SD-CD1 4.26Å; M1457-L1463 HydrophobicContact SD-CD2 4.41Å; N1460-L1463 HydrophobicContact CB-CG 4.38Å; N1460-L1463 WeakPolarHBondContact O-CB 3.37Å; N1460-L1463 WeakPolarHBondContact O-CD1 3.24Å; N1460-L1463 VanDerWaalsContact O-CG 3.31Å; N1460-L1463 WeakPolarHBondContact O-CG 3.44Å; N1460-L1463 PolarHBondContact O-N 3.09Å; N1460-L1463 VanDerWaalsContact O-N 3.1Å; P1461-L1463 VanDerWaalsContact C-N 3.3Å; L1463-R1465 PolarHBondContact O-N 3.1Å; L1463-R1465 VanDerWaalsContact O-N 3.13Å; L1463-L1466 HydrophobicContact CD1-CB 4.46Å; L1463-L1466 HydrophobicContact CD1-CD2 3.99Å; L1463-L1466 HydrophobicContact CD2-CD2 4.32Å; L1463-L1466 VanDerWaalsContact O-CB 3.31Å; L1463-L1466 WeakPolarHBondContact O-CB 3.38Å; L1463-L1466 PolarHBondContact O-N 3.19Å; L1463-L1466 VanDerWaalsContact O-N 3.11Å; L1463-V1493 HydrophobicContact CD1-CB 4.18Å; L1463-V1493 HydrophobicContact CD1-CG1 3.89Å; L1463-V1493 VanDerWaalsContact CD1-CG1 3.48Å; L1463-V1493 HydrophobicContact CD1-CG2 4.11Å; L1463-V1493 HydrophobicContact CD2-CB 4.25Å; L1463-V1493 HydrophobicContact CD2-CG1 3.9Å; L1463-V1493 HydrophobicContact CG-CG1 4.36Å; L1463-L1496 CarbonylContact C-O 3.51Å; L1463-L1496 HydrophobicContact CB-CB 4.4Å; L1463-L1496 HydrophobicContact CD1-CB 4.46Å; L1463-L1496 HydrophobicContact CD1-CD1 3.93Å; L1463-L1496 HydrophobicContact CD2-CB 3.78Å; L1463-L1496 HydrophobicContact CD2-CD1 3.76Å; L1463-L1496 HydrophobicContact CD2-CG 4.42Å; L1463-L1496 VanDerWaalsContact CD2-O 3.26Å; L1463-L1496 WeakPolarHBondContact CD2-O 3.38Å; L1463-L1496 HydrophobicContact CG-CB 4.22Å; L1463-Q1497 PolarHBondContact O-NE2 3.31Å; L1463-Q1497 VanDerWaalsContact O-NE2 3.12Å; L1463-Q1497 PolarHBondContact O-OE1 2.91Å; L1463-Q1497 VanDerWaalsContact O-OE1 3.12Å |
| 1464 | P | 91.1 | Very high | 92 | Very high | 50.2 Ų | 50.2 | 36.2 Ų | 36.2 | 33% | 0.326 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -63.9 | -20.9 | 179.3 | -21.9 | 34.7 | 0 | 0 | 0 | 114.6 | P1461 L1462 Y1467 L1496 A1498 | P1461-P1464 VanDerWaalsContact O-CD 3.28Å; P1461-P1464 WeakPolarHBondContact O-CD 3.3Å; L1462-P1464 VanDerWaalsContact C-CD 3.42Å; L1462-P1464 VanDerWaalsContact C-N 3.31Å; L1462-P1464 VanDerWaalsContact O-N 3.14Å; P1464-Y1467 WeakPolarHBondContact O-CD1 3.23Å; P1464-Y1467 WeakPolarHBondContact O-CE1 3.25Å; P1464-L1496 VanDerWaalsContact CA-O 3.23Å; P1464-L1496 WeakPolarHBondContact CA-O 3.35Å; P1464-L1496 WeakPolarHBondContact CB-O 3.25Å; P1464-A1498 HydrophobicContact CB-CB 3.76Å; P1464-A1498 WeakPolarHBondContact O-CB 3.27Å; P1464-A1498 PolarHBondContact O-N 3.07Å |
| 1465 | R | 91.6 | Very high | 92.1 | Very high | 175.2 Ų | 175.2 | 32.7 Ų | 32.7 | 66% | 0.661 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -105.1 | 4 | 178.5 | -64.3 | -178.3 | -174.7 | 170 | 1 | 112.6 | L1462 L1463 Y1467 L1468 | L1462-R1465 CarbonylContact O-C 3.55Å; L1462-R1465 WeakPolarHBondContact O-CA 3.37Å; L1462-R1465 PolarHBondContact O-N 3.11Å; L1463-R1465 PolarHBondContact O-N 3.1Å; L1463-R1465 VanDerWaalsContact O-N 3.13Å; R1465-Y1467 PolarHBondContact O-N 3.03Å; R1465-L1468 HydrophobicContact CB-CD1 4.16Å; R1465-L1468 HydrophobicContact CG-CD1 4.48Å; R1465-L1468 VanDerWaalsContact O-CB 3.31Å; R1465-L1468 WeakPolarHBondContact O-CB 3.34Å; R1465-L1468 WeakPolarHBondContact O-CG 3.3Å; R1465-L1468 PolarHBondContact O-N 3.15Å; R1465-L1468 VanDerWaalsContact O-N 3.08Å |
| 1466 | L | 93 | Very high | 92.1 | Very high | 3.6 Ų | 3.6 | 31.9 Ų | 31.9 | 2% | 0.019 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -59.7 | -33 | -176.1 | -174.3 | 65.7 | 0 | 0 | 0 | 112 | L1431 I1435 M1457 L1462 L1463 L1468 T1469 I1471 F1489 V1493 | L1431-L1466 HydrophobicContact CD2-CD1 4.18Å; I1435-L1466 HydrophobicContact CD1-CD1 3.81Å; M1457-L1466 HydrophobicContact CE-CD1 4.13Å; M1457-L1466 HydrophobicContact CG-CD2 3.99Å; M1457-L1466 HydrophobicContact SD-CD1 3.87Å; M1457-L1466 HydrophobicContact SD-CD2 3.92Å; M1457-L1466 HydrophobicContact SD-CG 4.38Å; L1462-L1466 PolarHBondContact O-N 3.25Å; L1463-L1466 HydrophobicContact CD1-CB 4.46Å; L1463-L1466 HydrophobicContact CD1-CD2 3.99Å; L1463-L1466 HydrophobicContact CD2-CD2 4.32Å; L1463-L1466 VanDerWaalsContact O-CB 3.31Å; L1463-L1466 WeakPolarHBondContact O-CB 3.38Å; L1463-L1466 PolarHBondContact O-N 3.19Å; L1463-L1466 VanDerWaalsContact O-N 3.11Å; L1466-L1468 PolarHBondContact O-N 3.13Å; L1466-L1468 VanDerWaalsContact O-N 3.11Å; L1466-T1469 HydrophobicContact CD1-CG2 4.48Å; L1466-T1469 WeakPolarHBondContact O-CB 3.31Å; L1466-T1469 PolarHBondContact O-N 3.02Å; L1466-T1469 PolarHBondContact O-OG1 3.06Å; L1466-I1471 HydrophobicContact CD2-CD1 4.15Å; L1466-I1471 HydrophobicContact CD2-CG2 4.31Å; L1466-I1471 HydrophobicContact CG-CD1 4.47Å; L1466-I1471 HydrophobicContact CG-CG2 3.98Å; L1466-F1489 HydrophobicContact CD2-CZ 3.99Å; L1466-V1493 HydrophobicContact CD2-CG1 4Å |
| 1467 | Y | 91.5 | Very high | 92 | Very high | 35.2 Ų | 35.2 | 32.3 Ų | 32.3 | 14% | 0.138 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -56 | -27.6 | 176.9 | 77.4 | -87.4 | 0 | 0 | 0 | 113.8 | P1464 R1465 T1469 G1470 Q1497 L1499 I1517 F1586 | P1464-Y1467 WeakPolarHBondContact O-CD1 3.23Å; P1464-Y1467 WeakPolarHBondContact O-CE1 3.25Å; R1465-Y1467 PolarHBondContact O-N 3.03Å; Y1467-T1469 PolarHBondContact O-N 3.06Å; Y1467-T1469 VanDerWaalsContact O-N 3.14Å; Y1467-G1470 PolarHBondContact O-N 3.04Å; Y1467-G1470 VanDerWaalsContact O-N 3.12Å; Y1467-Q1497 HydrophobicContact CD1-CB 4.36Å; Y1467-Q1497 VanDerWaalsContact N-OE1 3.08Å; Y1467-L1499 HydrophobicContact CD1-CB 4.36Å; Y1467-L1499 HydrophobicContact CD2-CB 4.37Å; Y1467-L1499 HydrophobicContact CD2-CD1 4.33Å; Y1467-L1499 HydrophobicContact CE1-CB 4.19Å; Y1467-L1499 HydrophobicContact CE2-CB 4.11Å; Y1467-L1499 HydrophobicContact CE2-CD1 4Å; Y1467-L1499 HydrophobicContact CE2-CG 4.45Å; Y1467-L1499 HydrophobicContact CG-CB 4.43Å; Y1467-I1517 HydrophobicContact CD2-CD1 4.26Å; Y1467-I1517 HydrophobicContact CG-CD1 4.28Å; Y1467-F1586 HydrophobicContact CD2-CD1 4.32Å; Y1467-F1586 HydrophobicContact CD2-CD2 4.31Å; Y1467-F1586 AromaticContact CD2-CE1 3.81Å; Y1467-F1586 HydrophobicContact CD2-CE1 3.94Å; Y1467-F1586 AromaticContact CD2-CE2 3.76Å; Y1467-F1586 HydrophobicContact CD2-CE2 3.76Å; Y1467-F1586 HydrophobicContact CD2-CG 4.48Å; Y1467-F1586 AromaticContact CD2-CZ 3.56Å; Y1467-F1586 HydrophobicContact CD2-CZ 3.56Å; Y1467-F1586 HydrophobicContact CE2-CD1 4.2Å; Y1467-F1586 AromaticContact CE2-CE1 3.66Å; Y1467-F1586 HydrophobicContact CE2-CE1 3.66Å; Y1467-F1586 HydrophobicContact CE2-CE2 4.34Å; Y1467-F1586 AromaticContact CE2-CZ 3.74Å; Y1467-F1586 HydrophobicContact CE2-CZ 3.74Å; Y1467-F1586 VanDerWaalsContact O-CD2 3.24Å; Y1467-F1586 WeakPolarHBondContact O-CD2 3.36Å; Y1467-F1586 WeakPolarHBondContact O-CE2 3.29Å |
| 1468 | L | 90.7 | Very high | 92 | Very high | 73.6 Ų | 73.6 | 32.3 Ų | 32.3 | 39% | 0.385 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -66.6 | -14.3 | 177.8 | -62.2 | 176.3 | 0 | 0 | 0 | 113.6 | R1465 L1466 G1470 F1586 | R1465-L1468 HydrophobicContact CB-CD1 4.16Å; R1465-L1468 HydrophobicContact CG-CD1 4.48Å; R1465-L1468 VanDerWaalsContact O-CB 3.31Å; R1465-L1468 WeakPolarHBondContact O-CB 3.34Å; R1465-L1468 WeakPolarHBondContact O-CG 3.3Å; R1465-L1468 PolarHBondContact O-N 3.15Å; R1465-L1468 VanDerWaalsContact O-N 3.08Å; L1466-L1468 PolarHBondContact O-N 3.13Å; L1466-L1468 VanDerWaalsContact O-N 3.11Å; L1468-G1470 VanDerWaalsContact C-N 3.3Å; L1468-G1470 PolarHBondContact O-N 3.38Å; L1468-F1586 HydrophobicContact CB-CB 4.39Å; L1468-F1586 HydrophobicContact CD2-CB 4.15Å; L1468-F1586 HydrophobicContact CD2-CD1 3.65Å; L1468-F1586 HydrophobicContact CD2-CD2 4.49Å; L1468-F1586 HydrophobicContact CD2-CE1 4.27Å; L1468-F1586 HydrophobicContact CD2-CG 3.95Å; L1468-F1586 VanDerWaalsContact O-CB 3.29Å; L1468-F1586 WeakPolarHBondContact O-CB 3.28Å |
| 1469 | T | 91.8 | Very high | 91.8 | Very high | 15.6 Ų | 15.6 | 33.8 Ų | 33.8 | 10% | 0.096 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -81.9 | -11 | 176.4 | 64.2 | 0 | 0 | 0 | 0 | 113 | I1435 L1466 Y1467 I1471 F1474 Y1584 | I1435-T1469 HydrophobicContact CD1-CG2 3.87Å; I1435-T1469 VanDerWaalsContact CD1-OG1 3.26Å; I1435-T1469 WeakPolarHBondContact CD1-OG1 3.39Å; L1466-T1469 HydrophobicContact CD1-CG2 4.48Å; L1466-T1469 WeakPolarHBondContact O-CB 3.31Å; L1466-T1469 PolarHBondContact O-N 3.02Å; L1466-T1469 PolarHBondContact O-OG1 3.06Å; Y1467-T1469 PolarHBondContact O-N 3.06Å; Y1467-T1469 VanDerWaalsContact O-N 3.14Å; T1469-I1471 VanDerWaalsContact C-N 3.33Å; T1469-I1471 PolarHBondContact OG1-N 3.14Å; T1469-F1474 VanDerWaalsContact O-CE2 3.3Å; T1469-F1474 WeakPolarHBondContact O-CE2 3.34Å; T1469-Y1584 WeakPolarHBondContact O-CD1 3.49Å |
| 1470 | G | 91.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 5.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y1467 L1468 F1472 Y1473 F1474 | Y1467-G1470 PolarHBondContact O-N 3.04Å; Y1467-G1470 VanDerWaalsContact O-N 3.12Å; L1468-G1470 VanDerWaalsContact C-N 3.3Å; L1468-G1470 PolarHBondContact O-N 3.38Å; G1470-F1472 VanDerWaalsContact C-N 3.27Å; G1470-F1472 PolarHBondContact O-N 3.35Å; G1470-F1472 VanDerWaalsContact O-N 3.11Å; G1470-Y1473 WeakPolarHBondContact O-CB 3.39Å; G1470-Y1473 PolarHBondContact O-N 3.11Å; G1470-F1474 WeakPolarHBondContact O-CD1 3.33Å; G1470-F1474 WeakPolarHBondContact O-CG 3.37Å; G1470-F1474 PolarHBondContact O-N 3.34Å; G1470-F1474 VanDerWaalsContact O-N 3.09Å |
| 1471 | I | 95.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -49.1 | -42.9 | -175.5 | -169.3 | 169.2 | 0 | 0 | 0 | 113.9 | I1435 L1438 L1453 L1466 T1469 Y1473 F1474 I1475 F1489 | I1435-I1471 HydrophobicContact CD1-CB 4.34Å; I1435-I1471 HydrophobicContact CD1-CD1 4.18Å; I1435-I1471 HydrophobicContact CG1-CD1 4.21Å; I1435-I1471 HydrophobicContact CG2-CB 3.7Å; I1435-I1471 HydrophobicContact CG2-CD1 4.48Å; I1435-I1471 HydrophobicContact CG2-CG1 3.96Å; L1438-I1471 HydrophobicContact CD1-CG1 4.15Å; L1453-I1471 HydrophobicContact CD1-CD1 3.85Å; L1466-I1471 HydrophobicContact CD2-CD1 4.15Å; L1466-I1471 HydrophobicContact CD2-CG2 4.31Å; L1466-I1471 HydrophobicContact CG-CD1 4.47Å; L1466-I1471 HydrophobicContact CG-CG2 3.98Å; T1469-I1471 VanDerWaalsContact C-N 3.33Å; T1469-I1471 PolarHBondContact OG1-N 3.14Å; I1471-Y1473 VanDerWaalsContact C-N 3.32Å; I1471-Y1473 PolarHBondContact O-N 3.2Å; I1471-F1474 PolarHBondContact O-N 3.19Å; I1471-I1475 HydrophobicContact CD1-CD1 4.19Å; I1471-I1475 HydrophobicContact CG1-CD1 3.73Å; I1471-I1475 HydrophobicContact CG1-CG1 4.11Å; I1471-I1475 WeakPolarHBondContact O-CB 3.38Å; I1471-I1475 VanDerWaalsContact O-CG1 3.3Å; I1471-I1475 WeakPolarHBondContact O-CG1 3.29Å; I1471-I1475 PolarHBondContact O-N 3.07Å; I1471-F1489 HydrophobicContact CD1-CE1 3.49Å; I1471-F1489 VanDerWaalsContact CD1-CE1 3.49Å; I1471-F1489 HydrophobicContact CD1-CZ 3.47Å; I1471-F1489 VanDerWaalsContact CD1-CZ 3.46Å; I1471-F1489 HydrophobicContact CG1-CE1 4.25Å |
| 1472 | F | 95.1 | Very high | 91.7 | Very high | 3.8 Ų | 3.8 | 33 Ų | 33 | 2% | 0.017 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69 | -33.8 | -177.5 | -61.5 | -80.8 | 0 | 0 | 0 | 112 | G1470 L1476 L1490 V1493 H1494 Q1497 I1517 L1518 M1521 | G1470-F1472 VanDerWaalsContact C-N 3.27Å; G1470-F1472 PolarHBondContact O-N 3.35Å; G1470-F1472 VanDerWaalsContact O-N 3.11Å; F1472-L1476 WeakPolarHBondContact O-CB 3.33Å; F1472-L1476 WeakPolarHBondContact O-CG 3.43Å; F1472-L1476 PolarHBondContact O-N 3.28Å; F1472-L1476 VanDerWaalsContact O-N 3.15Å; F1472-L1490 HydrophobicContact CD1-CD2 3.74Å; F1472-L1490 HydrophobicContact CE1-CD2 3.98Å; F1472-V1493 HydrophobicContact CE1-CG2 3.89Å; F1472-V1493 HydrophobicContact CZ-CG1 4.08Å; F1472-V1493 HydrophobicContact CZ-CG2 3.94Å; F1472-H1494 HydrophobicContact CE1-CB 4.31Å; F1472-Q1497 HydrophobicContact CE2-CG 3.85Å; F1472-Q1497 HydrophobicContact CZ-CG 3.77Å; F1472-I1517 HydrophobicContact CB-CG1 4.48Å; F1472-I1517 HydrophobicContact CB-CG2 3.81Å; F1472-I1517 HydrophobicContact CD1-CG2 3.86Å; F1472-I1517 HydrophobicContact CD2-CB 4.39Å; F1472-I1517 HydrophobicContact CD2-CG1 3.68Å; F1472-I1517 HydrophobicContact CD2-CG2 3.66Å; F1472-I1517 VanDerWaalsContact CD2-CG2 3.41Å; F1472-I1517 HydrophobicContact CE1-CG2 3.61Å; F1472-I1517 HydrophobicContact CE2-CB 4.42Å; F1472-I1517 HydrophobicContact CE2-CG1 4.07Å; F1472-I1517 HydrophobicContact CE2-CG2 3.84Å; F1472-I1517 HydrophobicContact CG-CG1 4.1Å; F1472-I1517 HydrophobicContact CG-CG2 3.69Å; F1472-I1517 VanDerWaalsContact CG-CG2 3.47Å; F1472-I1517 HydrophobicContact CZ-CG2 3.62Å; F1472-L1518 HydrophobicContact CB-CD2 4.39Å; F1472-L1518 HydrophobicContact CD1-CD2 3.85Å; F1472-L1518 HydrophobicContact CD1-CG 4.22Å; F1472-L1518 HydrophobicContact CG-CD2 4.45Å; F1472-M1521 HydrophobicContact CB-CE 3.87Å |
| 1473 | Y | 93.8 | Very high | 91.8 | Very high | 5.6 Ų | 5.6 | 30 Ų | 30 | 2% | 0.022 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.1 | -45.2 | 172.5 | -55.2 | -40.2 | 0 | 0 | 0 | 110.6 | G1470 I1471 L1476 L1477 M1521 H1568 L1569 Y1584 F1586 I1587 M1589 | G1470-Y1473 WeakPolarHBondContact O-CB 3.39Å; G1470-Y1473 PolarHBondContact O-N 3.11Å; I1471-Y1473 VanDerWaalsContact C-N 3.32Å; I1471-Y1473 PolarHBondContact O-N 3.2Å; Y1473-L1476 PolarHBondContact O-N 3.11Å; Y1473-L1477 VanDerWaalsContact O-CB 3.28Å; Y1473-L1477 WeakPolarHBondContact O-CB 3.38Å; Y1473-L1477 PolarHBondContact O-N 3.1Å; Y1473-L1477 VanDerWaalsContact O-N 3.07Å; Y1473-M1521 HydrophobicContact CD1-CE 4.05Å; Y1473-M1521 HydrophobicContact CD1-SD 3.36Å; Y1473-M1521 WeakPolarHBondContact CD1-SD 3.29Å; Y1473-M1521 HydrophobicContact CE1-CE 3.98Å; Y1473-M1521 HydrophobicContact CE1-CG 4.41Å; Y1473-M1521 HydrophobicContact CE1-SD 3.63Å; Y1473-M1521 VanDerWaalsContact CE1-SD 3.54Å; Y1473-H1568 AromaticContact CE2-NE2 3.74Å; Y1473-H1568 AromaticContact CZ-NE2 3.91Å; Y1473-L1569 HydrophobicContact CD2-CD2 4.38Å; Y1473-Y1584 HydrophobicContact CD2-CE1 4.16Å; Y1473-Y1584 AromaticContact CD2-CZ 3.94Å; Y1473-Y1584 WeakPolarHBondContact CD2-OH 3.31Å; Y1473-Y1584 HydrophobicContact CE2-CE1 4.37Å; Y1473-Y1584 WeakPolarHBondContact CE2-OH 3.33Å; Y1473-F1586 AromaticContact CE2-CD2 3.9Å; Y1473-F1586 HydrophobicContact CE2-CD2 3.96Å; Y1473-F1586 AromaticContact CE2-CE2 3.73Å; Y1473-F1586 HydrophobicContact CE2-CE2 3.73Å; Y1473-F1586 AromaticContact CZ-CE2 3.88Å; Y1473-F1586 WeakPolarHBondContact OH-CE2 3.37Å; Y1473-I1587 PolarHBondContact OH-O 2.86Å; Y1473-I1587 VanDerWaalsContact OH-O 3.08Å; Y1473-M1589 HydrophobicContact CD1-SD 4.42Å; Y1473-M1589 HydrophobicContact CE1-CB 3.9Å; Y1473-M1589 HydrophobicContact CE1-SD 4.31Å; Y1473-M1589 PolarHBondContact OH-N 3.31Å; Y1473-M1589 VanDerWaalsContact OH-N 3.1Å |
| 1474 | F | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.3 | -40 | -175.2 | -50.9 | -21.8 | 0 | 0 | 0 | 112.1 | I1435 Q1436 L1438 L1439 T1469 G1470 I1471 L1477 Y1478 L1569 F1572 Y1584 | I1435-F1474 HydrophobicContact CG2-CD2 3.71Å; I1435-F1474 HydrophobicContact CG2-CE2 4.01Å; Q1436-F1474 HydrophobicContact CG-CE2 4Å; L1438-F1474 HydrophobicContact CB-CB 3.93Å; L1438-F1474 HydrophobicContact CD1-CB 4.29Å; L1439-F1474 HydrophobicContact CD1-CD1 3.86Å; L1439-F1474 HydrophobicContact CD1-CD2 4.38Å; L1439-F1474 HydrophobicContact CD1-CE1 3.85Å; L1439-F1474 HydrophobicContact CD1-CE2 4.35Å; L1439-F1474 HydrophobicContact CD1-CG 4.15Å; L1439-F1474 HydrophobicContact CD1-CZ 4.12Å; L1439-F1474 HydrophobicContact CD2-CB 4.01Å; L1439-F1474 HydrophobicContact CD2-CD1 3.64Å; L1439-F1474 HydrophobicContact CD2-CE1 4.37Å; L1439-F1474 HydrophobicContact CD2-CG 3.93Å; L1439-F1474 HydrophobicContact CG-CB 4.16Å; L1439-F1474 HydrophobicContact CG-CD1 3.88Å; L1439-F1474 HydrophobicContact CG-CD2 4.33Å; L1439-F1474 HydrophobicContact CG-CE1 4.39Å; L1439-F1474 HydrophobicContact CG-CG 3.86Å; T1469-F1474 VanDerWaalsContact O-CE2 3.3Å; T1469-F1474 WeakPolarHBondContact O-CE2 3.34Å; G1470-F1474 WeakPolarHBondContact O-CD1 3.33Å; G1470-F1474 WeakPolarHBondContact O-CG 3.37Å; G1470-F1474 PolarHBondContact O-N 3.34Å; G1470-F1474 VanDerWaalsContact O-N 3.09Å; I1471-F1474 PolarHBondContact O-N 3.19Å; F1474-L1477 PolarHBondContact O-N 3.09Å; F1474-Y1478 PolarHBondContact O-N 3.09Å; F1474-L1569 HydrophobicContact CD1-CD1 3.66Å; F1474-L1569 HydrophobicContact CE1-CD1 3.72Å; F1474-L1569 HydrophobicContact CE1-CD2 4Å; F1474-F1572 HydrophobicContact CE1-CD1 4.4Å; F1474-F1572 HydrophobicContact CE1-CE1 4.43Å; F1474-F1572 HydrophobicContact CZ-CD1 4.4Å; F1474-F1572 AromaticContact CZ-CE1 3.96Å; F1474-F1572 HydrophobicContact CZ-CE1 4.14Å; F1474-Y1584 HydrophobicContact CE1-CD1 4.49Å; F1474-Y1584 HydrophobicContact CE1-CD2 4.47Å; F1474-Y1584 HydrophobicContact CE1-CG 4.42Å; F1474-Y1584 AromaticContact CZ-CD1 3.88Å; F1474-Y1584 HydrophobicContact CZ-CD1 3.92Å; F1474-Y1584 HydrophobicContact CZ-CD2 4.24Å; F1474-Y1584 HydrophobicContact CZ-CE1 4.46Å; F1474-Y1584 AromaticContact CZ-CG 3.75Å; F1474-Y1584 HydrophobicContact CZ-CG 3.75Å |
| 1475 | I | 94.1 | Very high | 92 | Very high | 4.6 Ų | 4.6 | 31.5 Ų | 31.5 | 2% | 0.024 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 175.1 | -73.4 | -176.6 | 0 | 0 | 0 | 110.9 | L1438 I1471 L1477 Y1478 I1486 F1489 L1490 | L1438-I1475 HydrophobicContact CD1-CD1 4.3Å; L1438-I1475 HydrophobicContact CD1-CG1 3.56Å; L1438-I1475 VanDerWaalsContact CD1-CG1 3.5Å; I1471-I1475 HydrophobicContact CD1-CD1 4.19Å; I1471-I1475 HydrophobicContact CG1-CD1 3.73Å; I1471-I1475 HydrophobicContact CG1-CG1 4.11Å; I1471-I1475 WeakPolarHBondContact O-CB 3.38Å; I1471-I1475 VanDerWaalsContact O-CG1 3.3Å; I1471-I1475 WeakPolarHBondContact O-CG1 3.29Å; I1471-I1475 PolarHBondContact O-N 3.07Å; I1475-L1477 VanDerWaalsContact C-N 3.26Å; I1475-L1477 PolarHBondContact O-N 3.26Å; I1475-Y1478 VanDerWaalsContact O-CB 3.24Å; I1475-Y1478 WeakPolarHBondContact O-CB 3.29Å; I1475-Y1478 PolarHBondContact O-N 3.07Å; I1475-Y1478 VanDerWaalsContact O-N 3.16Å; I1475-I1486 HydrophobicContact CG2-CB 4.21Å; I1475-I1486 HydrophobicContact CG2-CD1 4.26Å; I1475-I1486 HydrophobicContact CG2-CG1 4.08Å; I1475-I1486 HydrophobicContact CG2-CG2 3.22Å; I1475-F1489 HydrophobicContact CD1-CD1 3.56Å; I1475-F1489 HydrophobicContact CD1-CE1 3.68Å; I1475-L1490 HydrophobicContact CG2-CD1 4.26Å; I1475-L1490 HydrophobicContact CG2-CD2 4.32Å; I1475-L1490 HydrophobicContact CG2-CG 4.37Å |
| 1476 | L | 93.9 | Very high | 92.2 | Very high | 2.6 Ų | 2.6 | 23.6 Ų | 23.6 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -74.7 | -15.6 | -178.6 | -70.6 | 177.9 | 0 | 0 | 0 | 113.7 | F1472 Y1473 Y1478 L1490 L1518 M1521 L1522 F1542 M1561 I1565 | F1472-L1476 WeakPolarHBondContact O-CB 3.33Å; F1472-L1476 WeakPolarHBondContact O-CG 3.43Å; F1472-L1476 PolarHBondContact O-N 3.28Å; F1472-L1476 VanDerWaalsContact O-N 3.15Å; Y1473-L1476 PolarHBondContact O-N 3.11Å; L1476-Y1478 VanDerWaalsContact C-N 3.28Å; L1476-Y1478 PolarHBondContact O-N 3.26Å; L1476-L1490 HydrophobicContact CD2-CD1 4.38Å; L1476-L1518 HydrophobicContact CD1-CD2 3.94Å; L1476-M1521 HydrophobicContact CD1-CB 3.84Å; L1476-M1521 HydrophobicContact CD1-CE 3.93Å; L1476-M1521 HydrophobicContact CD1-CG 4.35Å; L1476-M1521 HydrophobicContact CD1-SD 3.6Å; L1476-M1521 VanDerWaalsContact CD1-SD 3.57Å; L1476-L1522 HydrophobicContact CD1-CD1 4.46Å; L1476-L1522 HydrophobicContact CD1-CG 4.27Å; L1476-L1522 HydrophobicContact CD2-CD1 4.33Å; L1476-L1522 HydrophobicContact CD2-CD2 4.45Å; L1476-F1542 HydrophobicContact CD2-CE2 4.08Å; L1476-F1542 HydrophobicContact CD2-CZ 4.15Å; L1476-M1561 HydrophobicContact CB-CE 4.04Å; L1476-M1561 HydrophobicContact CB-SD 4.33Å; L1476-M1561 HydrophobicContact CD1-SD 4.22Å; L1476-M1561 HydrophobicContact CD2-CE 4.35Å; L1476-M1561 HydrophobicContact CD2-SD 4.41Å; L1476-M1561 WeakPolarHBondContact O-CE 3.37Å; L1476-I1565 HydrophobicContact CB-CD1 3.73Å; L1476-I1565 HydrophobicContact CD1-CD1 4.42Å |
| 1477 | L | 91.5 | Very high | 92.3 | Very high | 7.4 Ų | 7.4 | 23.5 Ų | 23.5 | 4% | 0.039 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -76.9 | -16.4 | 171.6 | -168.7 | 60.2 | 0 | 0 | 0 | 112.4 | T1177 L1439 F1441 Y1473 F1474 I1475 T1479 I1562 I1565 T1566 L1569 | T1177-L1477 HydrophobicContact CG2-CD1 4.46Å; L1439-L1477 HydrophobicContact CD2-CD2 3.77Å; F1441-L1477 HydrophobicContact CE1-CB 4.11Å; F1441-L1477 HydrophobicContact CE1-CD2 4.01Å; F1441-L1477 HydrophobicContact CE1-CG 3.66Å; F1441-L1477 WeakPolarHBondContact CE1-O 3.24Å; F1441-L1477 HydrophobicContact CZ-CB 4.47Å; F1441-L1477 HydrophobicContact CZ-CD2 3.56Å; F1441-L1477 HydrophobicContact CZ-CG 3.69Å; Y1473-L1477 VanDerWaalsContact O-CB 3.28Å; Y1473-L1477 WeakPolarHBondContact O-CB 3.38Å; Y1473-L1477 PolarHBondContact O-N 3.1Å; Y1473-L1477 VanDerWaalsContact O-N 3.07Å; F1474-L1477 PolarHBondContact O-N 3.09Å; I1475-L1477 VanDerWaalsContact C-N 3.26Å; I1475-L1477 PolarHBondContact O-N 3.26Å; L1477-T1479 PolarHBondContact O-N 3.19Å; L1477-I1562 HydrophobicContact CD1-CG2 3.95Å; L1477-I1565 HydrophobicContact CB-CG2 4.3Å; L1477-I1565 HydrophobicContact CD1-CB 4.3Å; L1477-I1565 HydrophobicContact CD1-CG2 4.31Å; L1477-T1566 VanDerWaalsContact CD1-OG1 3.25Å; L1477-T1566 WeakPolarHBondContact CD1-OG1 3.41Å; L1477-L1569 HydrophobicContact CD2-CD1 4.1Å |
| 1478 | Y | 92 | Very high | 92.5 | Very high | 5.6 Ų | 5.6 | 25.8 Ų | 25.8 | 2% | 0.022 | 15% | 0.148 | C | C | . | . | trans | -67.6 | 126 | -179.6 | -176.5 | -114.9 | 0 | 0 | 0 | 112.3 | F1441 P1443 V1446 F1474 I1475 L1476 G1480 N1482 V1483 I1486 R1558 | F1441-Y1478 HydrophobicContact CB-CD2 4.49Å; F1441-Y1478 HydrophobicContact CD1-CD2 4.27Å; P1443-Y1478 WeakPolarHBondContact CA-OH 3.34Å; P1443-Y1478 VanDerWaalsContact CB-OH 3.23Å; P1443-Y1478 WeakPolarHBondContact CB-OH 3.27Å; P1443-Y1478 WeakPolarHBondContact CG-OH 3.37Å; V1446-Y1478 HydrophobicContact CB-CD2 4.45Å; V1446-Y1478 HydrophobicContact CB-CE2 4.16Å; V1446-Y1478 HydrophobicContact CG1-CD1 4.21Å; V1446-Y1478 HydrophobicContact CG1-CD2 4.15Å; V1446-Y1478 HydrophobicContact CG1-CE1 4.19Å; V1446-Y1478 HydrophobicContact CG1-CE2 4.17Å; V1446-Y1478 HydrophobicContact CG1-CG 4.18Å; V1446-Y1478 HydrophobicContact CG2-CD2 3.95Å; V1446-Y1478 HydrophobicContact CG2-CE2 3.85Å; F1474-Y1478 PolarHBondContact O-N 3.09Å; I1475-Y1478 VanDerWaalsContact O-CB 3.24Å; I1475-Y1478 WeakPolarHBondContact O-CB 3.29Å; I1475-Y1478 PolarHBondContact O-N 3.07Å; I1475-Y1478 VanDerWaalsContact O-N 3.16Å; L1476-Y1478 VanDerWaalsContact C-N 3.28Å; L1476-Y1478 PolarHBondContact O-N 3.26Å; Y1478-G1480 VanDerWaalsContact CE1-CA 3.47Å; Y1478-G1480 WeakPolarHBondContact CE1-O 3.45Å; Y1478-G1480 VanDerWaalsContact CZ-CA 3.45Å; Y1478-G1480 WeakPolarHBondContact OH-CA 3.29Å; Y1478-N1482 VanDerWaalsContact CE1-OD1 3.3Å; Y1478-N1482 WeakPolarHBondContact CE1-OD1 3.41Å; Y1478-N1482 VanDerWaalsContact CZ-OD1 3.3Å; Y1478-N1482 PolarHBondContact OH-OD1 3.17Å; Y1478-V1483 HydrophobicContact CD1-CG1 4.39Å; Y1478-I1486 HydrophobicContact CD1-CD1 3.6Å; Y1478-I1486 HydrophobicContact CE1-CD1 4.28Å; Y1478-I1486 HydrophobicContact CG-CD1 4.29Å; Y1478-R1558 PolarHBondContact O-NH2 3Å | ||
| 1479 | T | 87 | Confident | 92.8 | Very high | 78.8 Ų | 78.8 | 22.3 Ų | 22.3 | 48% | 0.483 | 13% | 0.13 | S | C | . | . | trans | -100.8 | -3.6 | -175.1 | 53.7 | 0 | 0 | 0 | 0 | 114.3 | L1477 R1558 I1562 | L1477-T1479 PolarHBondContact O-N 3.19Å; T1479-R1558 PolarHBondContact O-NH2 3.2Å; T1479-I1562 HydrophobicContact CG2-CD1 3.91Å | ||
| 1480 | G | 86 | Confident | 93 | Very high | 13.6 Ų | 13.6 | 21.6 Ų | 21.6 | 14% | 0.14 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -76.3 | 165.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y1478 V1483 R1558 | Y1478-G1480 VanDerWaalsContact CE1-CA 3.47Å; Y1478-G1480 WeakPolarHBondContact CE1-O 3.45Å; Y1478-G1480 VanDerWaalsContact CZ-CA 3.45Å; Y1478-G1480 WeakPolarHBondContact OH-CA 3.29Å; G1480-V1483 VanDerWaalsContact O-CG1 3.26Å; G1480-V1483 WeakPolarHBondContact O-CG1 3.28Å; G1480-R1558 PolarHBondContact O-NH2 3.3Å |
| 1481 | S | 88 | Confident | 93.1 | Very high | 91.4 Ų | 91.4 | 24 Ų | 24 | 64% | 0.639 | 14% | 0.136 | S | C | * | . | S | Bend | trans | -89.3 | -14.4 | -174.2 | -35.7 | 0 | 0 | 0 | 0 | 114.4 | V1483 L1543 | S1481-V1483 PolarHBondContact O-N 3Å; S1481-L1543 VanDerWaalsContact O-CD1 3.32Å; S1481-L1543 WeakPolarHBondContact O-CD1 3.37Å |
| 1482 | N | 91.2 | Very high | 93 | Very high | 39.8 Ų | 39.8 | 28.1 Ų | 28.1 | 21% | 0.213 | 16% | 0.158 | C | C | . | . | trans | -79.5 | 55.8 | 176.9 | 62.2 | -32.9 | 0 | 0 | 0 | 111.9 | P1443 E1447 Y1478 L1484 P1485 | P1443-N1482 PolarHBondContact O-ND2 3.22Å; P1443-N1482 VanDerWaalsContact O-ND2 3.08Å; E1447-N1482 PolarHBondContact OE2-ND2 3.36Å; Y1478-N1482 VanDerWaalsContact CE1-OD1 3.3Å; Y1478-N1482 WeakPolarHBondContact CE1-OD1 3.41Å; Y1478-N1482 VanDerWaalsContact CZ-OD1 3.3Å; Y1478-N1482 PolarHBondContact OH-OD1 3.17Å; N1482-L1484 VanDerWaalsContact C-N 3.35Å; N1482-P1485 WeakPolarHBondContact O-CD 3.38Å | ||
| 1483 | V | 91.6 | Very high | 92.9 | Very high | 5.2 Ų | 5.2 | 28.2 Ų | 28.2 | 3% | 0.032 | 16% | 0.159 | C | C | . | . | trans | -86.4 | -2.6 | -176.5 | -55.6 | 0 | 0 | 0 | 0 | 113.8 | Y1478 G1480 S1481 I1486 A1487 A1539 F1542 L1543 | Y1478-V1483 HydrophobicContact CD1-CG1 4.39Å; G1480-V1483 VanDerWaalsContact O-CG1 3.26Å; G1480-V1483 WeakPolarHBondContact O-CG1 3.28Å; S1481-V1483 PolarHBondContact O-N 3Å; V1483-I1486 HydrophobicContact CB-CB 4.48Å; V1483-I1486 CarbonylContact O-C 3.45Å; V1483-I1486 WeakPolarHBondContact O-CA 3.34Å; V1483-I1486 VanDerWaalsContact O-CB 3.27Å; V1483-I1486 WeakPolarHBondContact O-CB 3.34Å; V1483-I1486 PolarHBondContact O-N 3.16Å; V1483-I1486 VanDerWaalsContact O-N 3.12Å; V1483-A1487 WeakPolarHBondContact O-CB 3.49Å; V1483-A1487 PolarHBondContact O-N 3.21Å; V1483-A1539 HydrophobicContact CG2-CB 3.76Å; V1483-F1542 HydrophobicContact CG1-CD1 4.42Å; V1483-F1542 HydrophobicContact CG1-CE1 4.42Å; V1483-F1542 HydrophobicContact CG2-CD1 4.43Å; V1483-L1543 HydrophobicContact CG1-CD1 4.21Å; V1483-L1543 HydrophobicContact CG1-CD2 3.97Å; V1483-L1543 HydrophobicContact CG1-CG 4.33Å; V1483-L1543 HydrophobicContact CG2-CD1 3.74Å; V1483-L1543 HydrophobicContact CG2-CD2 4.16Å; V1483-L1543 HydrophobicContact CG2-CG 3.79Å | ||
| 1484 | L | 93.8 | Very high | 92.9 | Very high | 65.2 Ų | 65.2 | 27.9 Ų | 27.9 | 34% | 0.341 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -60.5 | -46.2 | -178.6 | 178 | 64.3 | 0 | 0 | 0 | 113.3 | N1482 I1486 A1487 K1488 E1536 A1539 | N1482-L1484 VanDerWaalsContact C-N 3.35Å; L1484-I1486 PolarHBondContact O-N 3.22Å; L1484-A1487 PolarHBondContact O-N 3.16Å; L1484-K1488 WeakPolarHBondContact O-CG 3.41Å; L1484-K1488 PolarHBondContact O-N 2.92Å; L1484-K1488 VanDerWaalsContact O-N 3.08Å; L1484-E1536 HydrophobicContact CD1-CB 4.38Å; L1484-E1536 HydrophobicContact CD1-CG 3.85Å; L1484-A1539 HydrophobicContact CD1-CB 4.41Å |
| 1485 | P | 93.7 | Very high | 92.6 | Very high | 32.8 Ų | 32.8 | 30.4 Ų | 30.4 | 21% | 0.213 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.4 | -36.1 | 173.4 | -23.4 | 35.4 | 0 | 0 | 0 | 112.3 | E1447 V1450 N1482 K1488 F1489 | E1447-P1485 HydrophobicContact CG-CG 4.02Å; V1450-P1485 HydrophobicContact CB-CB 4.45Å; V1450-P1485 HydrophobicContact CG1-CB 4.04Å; V1450-P1485 WeakPolarHBondContact CG1-O 3.33Å; N1482-P1485 WeakPolarHBondContact O-CD 3.38Å; P1485-K1488 PolarHBondContact O-N 2.86Å; P1485-F1489 VanDerWaalsContact O-CB 3.31Å; P1485-F1489 WeakPolarHBondContact O-CB 3.26Å; P1485-F1489 PolarHBondContact O-N 3.06Å |
| 1486 | I | 95.3 | Very high | 92.5 | Very high | 10.6 Ų | 10.6 | 34.7 Ų | 34.7 | 5% | 0.054 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.6 | -47.3 | 175 | -74.2 | 168.1 | 0 | 0 | 0 | 110.7 | V1446 V1450 I1475 Y1478 V1483 L1484 K1488 F1489 L1490 | V1446-I1486 HydrophobicContact CG1-CD1 4.16Å; V1450-I1486 HydrophobicContact CG1-CG1 4.34Å; V1450-I1486 HydrophobicContact CG2-CG1 3.83Å; I1475-I1486 HydrophobicContact CG2-CB 4.21Å; I1475-I1486 HydrophobicContact CG2-CD1 4.26Å; I1475-I1486 HydrophobicContact CG2-CG1 4.08Å; I1475-I1486 HydrophobicContact CG2-CG2 3.22Å; Y1478-I1486 HydrophobicContact CD1-CD1 3.6Å; Y1478-I1486 HydrophobicContact CE1-CD1 4.28Å; Y1478-I1486 HydrophobicContact CG-CD1 4.29Å; V1483-I1486 HydrophobicContact CB-CB 4.48Å; V1483-I1486 CarbonylContact O-C 3.45Å; V1483-I1486 WeakPolarHBondContact O-CA 3.34Å; V1483-I1486 VanDerWaalsContact O-CB 3.27Å; V1483-I1486 WeakPolarHBondContact O-CB 3.34Å; V1483-I1486 PolarHBondContact O-N 3.16Å; V1483-I1486 VanDerWaalsContact O-N 3.12Å; L1484-I1486 PolarHBondContact O-N 3.22Å; I1486-K1488 VanDerWaalsContact C-N 3.34Å; I1486-K1488 PolarHBondContact O-N 3.05Å; I1486-F1489 PolarHBondContact O-N 3.19Å; I1486-L1490 HydrophobicContact CG2-CD1 3.85Å; I1486-L1490 HydrophobicContact CG2-CG 4.2Å; I1486-L1490 WeakPolarHBondContact O-CB 3.33Å; I1486-L1490 WeakPolarHBondContact O-CG 3.32Å; I1486-L1490 PolarHBondContact O-N 3.11Å |
| 1487 | A | 95.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.8 | -43.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1483 L1484 L1490 K1491 P1535 F1538 A1539 | V1483-A1487 WeakPolarHBondContact O-CB 3.49Å; V1483-A1487 PolarHBondContact O-N 3.21Å; L1484-A1487 PolarHBondContact O-N 3.16Å; A1487-L1490 PolarHBondContact O-N 3.03Å; A1487-K1491 WeakPolarHBondContact O-CB 3.32Å; A1487-K1491 PolarHBondContact O-N 2.84Å; A1487-P1535 HydrophobicContact CB-CB 4.05Å; A1487-P1535 WeakPolarHBondContact CB-O 3.25Å; A1487-F1538 HydrophobicContact CB-CD1 3.83Å; A1487-A1539 HydrophobicContact CB-CB 4.21Å |
| 1488 | K | 96.3 | Very high | 91.7 | Very high | 83.8 Ų | 83.8 | 38 Ų | 38 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59 | -49.5 | 173.7 | -72.4 | 178.1 | 179.4 | -178 | 0 | 111.4 | L1484 P1485 I1486 L1490 K1491 D1492 P1535 E1536 | L1484-K1488 WeakPolarHBondContact O-CG 3.41Å; L1484-K1488 PolarHBondContact O-N 2.92Å; L1484-K1488 VanDerWaalsContact O-N 3.08Å; P1485-K1488 PolarHBondContact O-N 2.86Å; I1486-K1488 VanDerWaalsContact C-N 3.34Å; I1486-K1488 PolarHBondContact O-N 3.05Å; K1488-L1490 PolarHBondContact O-N 3.39Å; K1488-K1491 PolarHBondContact O-N 2.9Å; K1488-D1492 PolarHBondContact O-N 2.9Å; K1488-P1535 HydrophobicContact CB-CB 4.48Å; K1488-P1535 HydrophobicContact CD-CG 4.49Å; K1488-P1535 HydrophobicContact CG-CB 3.76Å; K1488-P1535 HydrophobicContact CG-CG 3.64Å; K1488-E1536 VanDerWaalsContact CE-OE1 3.31Å; K1488-E1536 WeakPolarHBondContact CE-OE1 3.36Å; K1488-E1536 IonicContact NZ-OE1 3.44Å; K1488-E1536 PolarHBondContact NZ-OE1 3.47Å |
| 1489 | F | 96.2 | Very high | 90.8 | Very high | 0.2 Ų | 0.2 | 39.2 Ų | 39.2 | 0% | 0.001 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.5 | -48.5 | 178.4 | -179.5 | -97.5 | 0 | 0 | 0 | 112.2 | V1450 L1453 H1454 M1457 L1466 I1471 I1475 P1485 I1486 K1491 D1492 V1493 | V1450-F1489 HydrophobicContact CG1-CB 3.79Å; V1450-F1489 HydrophobicContact CG1-CG 4.23Å; L1453-F1489 HydrophobicContact CB-CE2 4.01Å; L1453-F1489 HydrophobicContact CB-CZ 4.43Å; H1454-F1489 HydrophobicContact CB-CD2 4.11Å; H1454-F1489 AromaticContact CD2-CD2 3.91Å; M1457-F1489 HydrophobicContact CB-CE2 4.43Å; M1457-F1489 HydrophobicContact CG-CE2 4.33Å; L1466-F1489 HydrophobicContact CD2-CZ 3.99Å; I1471-F1489 HydrophobicContact CD1-CE1 3.49Å; I1471-F1489 VanDerWaalsContact CD1-CE1 3.49Å; I1471-F1489 HydrophobicContact CD1-CZ 3.47Å; I1471-F1489 VanDerWaalsContact CD1-CZ 3.46Å; I1471-F1489 HydrophobicContact CG1-CE1 4.25Å; I1475-F1489 HydrophobicContact CD1-CD1 3.56Å; I1475-F1489 HydrophobicContact CD1-CE1 3.68Å; P1485-F1489 VanDerWaalsContact O-CB 3.31Å; P1485-F1489 WeakPolarHBondContact O-CB 3.26Å; P1485-F1489 PolarHBondContact O-N 3.06Å; I1486-F1489 PolarHBondContact O-N 3.19Å; F1489-K1491 PolarHBondContact O-N 3.32Å; F1489-D1492 PolarHBondContact O-N 3.05Å; F1489-V1493 HydrophobicContact CD1-CG2 3.96Å; F1489-V1493 HydrophobicContact CD2-CG1 4.28Å; F1489-V1493 HydrophobicContact CD2-CG2 4.21Å; F1489-V1493 HydrophobicContact CE1-CB 4.42Å; F1489-V1493 HydrophobicContact CE1-CG1 4.49Å; F1489-V1493 HydrophobicContact CE1-CG2 3.8Å; F1489-V1493 HydrophobicContact CE2-CG1 3.94Å; F1489-V1493 HydrophobicContact CE2-CG2 4.32Å; F1489-V1493 HydrophobicContact CG-CG2 4.42Å; F1489-V1493 HydrophobicContact CZ-CB 4.39Å; F1489-V1493 HydrophobicContact CZ-CG1 4.14Å; F1489-V1493 HydrophobicContact CZ-CG2 3.95Å; F1489-V1493 WeakPolarHBondContact O-CB 3.35Å; F1489-V1493 WeakPolarHBondContact O-CG1 3.25Å; F1489-V1493 VanDerWaalsContact O-CG2 3.29Å; F1489-V1493 WeakPolarHBondContact O-CG2 3.41Å; F1489-V1493 PolarHBondContact O-N 3.17Å; F1489-V1493 VanDerWaalsContact O-N 3.14Å |
| 1490 | L | 95.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.9 | -47.9 | 180 | -73.7 | 178.2 | 0 | 0 | 0 | 111.5 | F1472 I1475 L1476 I1486 A1487 K1488 D1492 V1493 H1494 L1518 L1530 F1538 | F1472-L1490 HydrophobicContact CD1-CD2 3.74Å; F1472-L1490 HydrophobicContact CE1-CD2 3.98Å; I1475-L1490 HydrophobicContact CG2-CD1 4.26Å; I1475-L1490 HydrophobicContact CG2-CD2 4.32Å; I1475-L1490 HydrophobicContact CG2-CG 4.37Å; L1476-L1490 HydrophobicContact CD2-CD1 4.38Å; I1486-L1490 HydrophobicContact CG2-CD1 3.85Å; I1486-L1490 HydrophobicContact CG2-CG 4.2Å; I1486-L1490 WeakPolarHBondContact O-CB 3.33Å; I1486-L1490 WeakPolarHBondContact O-CG 3.32Å; I1486-L1490 PolarHBondContact O-N 3.11Å; A1487-L1490 PolarHBondContact O-N 3.03Å; K1488-L1490 PolarHBondContact O-N 3.39Å; L1490-D1492 VanDerWaalsContact C-N 3.27Å; L1490-D1492 PolarHBondContact O-N 3.05Å; L1490-V1493 PolarHBondContact O-N 3.23Å; L1490-H1494 VanDerWaalsContact O-CB 3.29Å; L1490-H1494 WeakPolarHBondContact O-CB 3.23Å; L1490-H1494 PolarHBondContact O-CD2 3.05Å; L1490-H1494 VanDerWaalsContact O-CD2 3.27Å; L1490-H1494 PolarHBondContact O-N 3.06Å; L1490-L1518 HydrophobicContact CD2-CD1 4.42Å; L1490-L1518 HydrophobicContact CD2-CD2 4.23Å; L1490-L1530 HydrophobicContact CB-CD2 4.1Å; L1490-F1538 HydrophobicContact CD1-CE1 4.47Å |
| 1491 | K | 94.5 | Very high | 88.3 | Confident | 50.4 Ų | 50.4 | 44.8 Ų | 44.8 | 22% | 0.219 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -54.7 | -44.4 | 178.6 | -173 | 170.7 | -178.5 | 117.9 | 0 | 111.8 | A1487 K1488 F1489 V1493 L1530 E1531 H1533 P1535 | A1487-K1491 WeakPolarHBondContact O-CB 3.32Å; A1487-K1491 PolarHBondContact O-N 2.84Å; K1488-K1491 PolarHBondContact O-N 2.9Å; F1489-K1491 PolarHBondContact O-N 3.32Å; K1491-V1493 PolarHBondContact O-N 3.36Å; K1491-L1530 HydrophobicContact CB-CD1 3.86Å; K1491-L1530 HydrophobicContact CB-CG 4.22Å; K1491-L1530 WeakPolarHBondContact CD-O 3.3Å; K1491-L1530 VanDerWaalsContact CE-O 3.27Å; K1491-L1530 WeakPolarHBondContact CE-O 3.26Å; K1491-L1530 HydrophobicContact CG-CD1 4.45Å; K1491-L1530 HydrophobicContact CG-CG 4.49Å; K1491-L1530 PolarHBondContact NZ-O 3.18Å; K1491-E1531 PolarHBondContact NZ-O 3.05Å; K1491-E1531 IonicContact NZ-OE2 2.94Å; K1491-H1533 PolarHBondContact NZ-O 3.19Å; K1491-P1535 HydrophobicContact CD-CB 4.49Å |
| 1492 | D | 92.9 | Very high | 86.4 | Confident | 85.8 Ų | 85.8 | 44 Ų | 44 | 46% | 0.459 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -76 | -24.3 | -175.9 | -68.2 | -16.3 | 0 | 0 | 0 | 113.7 | H1454 K1488 F1489 L1490 L1496 | H1454-D1492 IonicContact CD2-OD2 3.09Å; H1454-D1492 IonicContact CE1-OD2 3.43Å; H1454-D1492 PolarHBondContact CE1-OD2 2.99Å; H1454-D1492 IonicContact NE2-OD2 2.88Å; H1454-D1492 PolarHBondContact NE2-OD2 3.19Å; K1488-D1492 PolarHBondContact O-N 2.9Å; F1489-D1492 PolarHBondContact O-N 3.05Å; L1490-D1492 VanDerWaalsContact C-N 3.27Å; L1490-D1492 PolarHBondContact O-N 3.05Å; D1492-L1496 VanDerWaalsContact O-CD1 3.28Å; D1492-L1496 WeakPolarHBondContact O-CD1 3.34Å |
| 1493 | V | 93.8 | Very high | 84.3 | Confident | 6.2 Ų | 6.2 | 48.9 Ų | 48.9 | 4% | 0.038 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -114.9 | -20.7 | -167.6 | -68.4 | 0 | 0 | 0 | 0 | 115.3 | L1463 L1466 F1472 F1489 L1490 K1491 L1495 L1496 Q1497 | L1463-V1493 HydrophobicContact CD1-CB 4.18Å; L1463-V1493 HydrophobicContact CD1-CG1 3.89Å; L1463-V1493 VanDerWaalsContact CD1-CG1 3.48Å; L1463-V1493 HydrophobicContact CD1-CG2 4.11Å; L1463-V1493 HydrophobicContact CD2-CB 4.25Å; L1463-V1493 HydrophobicContact CD2-CG1 3.9Å; L1463-V1493 HydrophobicContact CG-CG1 4.36Å; L1466-V1493 HydrophobicContact CD2-CG1 4Å; F1472-V1493 HydrophobicContact CE1-CG2 3.89Å; F1472-V1493 HydrophobicContact CZ-CG1 4.08Å; F1472-V1493 HydrophobicContact CZ-CG2 3.94Å; F1489-V1493 HydrophobicContact CD1-CG2 3.96Å; F1489-V1493 HydrophobicContact CD2-CG1 4.28Å; F1489-V1493 HydrophobicContact CD2-CG2 4.21Å; F1489-V1493 HydrophobicContact CE1-CB 4.42Å; F1489-V1493 HydrophobicContact CE1-CG1 4.49Å; F1489-V1493 HydrophobicContact CE1-CG2 3.8Å; F1489-V1493 HydrophobicContact CE2-CG1 3.94Å; F1489-V1493 HydrophobicContact CE2-CG2 4.32Å; F1489-V1493 HydrophobicContact CG-CG2 4.42Å; F1489-V1493 HydrophobicContact CZ-CB 4.39Å; F1489-V1493 HydrophobicContact CZ-CG1 4.14Å; F1489-V1493 HydrophobicContact CZ-CG2 3.95Å; F1489-V1493 WeakPolarHBondContact O-CB 3.35Å; F1489-V1493 WeakPolarHBondContact O-CG1 3.25Å; F1489-V1493 VanDerWaalsContact O-CG2 3.29Å; F1489-V1493 WeakPolarHBondContact O-CG2 3.41Å; F1489-V1493 PolarHBondContact O-N 3.17Å; F1489-V1493 VanDerWaalsContact O-N 3.14Å; L1490-V1493 PolarHBondContact O-N 3.23Å; K1491-V1493 PolarHBondContact O-N 3.36Å; V1493-L1495 VanDerWaalsContact C-N 3.35Å; V1493-L1495 PolarHBondContact O-N 3.12Å; V1493-L1496 PolarHBondContact O-N 3.14Å; V1493-L1496 VanDerWaalsContact O-N 3.13Å; V1493-Q1497 VanDerWaalsContact CG1-NE2 3.32Å; V1493-Q1497 PolarHBondContact O-NE2 3.24Å |
| 1494 | H | 92.3 | Very high | 82.1 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -29.3 | -167.1 | 83.9 | 90.6 | 0 | 0 | 0 | 114.7 | F1472 L1490 Q1497 S1516 I1517 L1518 E1531 | F1472-H1494 HydrophobicContact CE1-CB 4.31Å; L1490-H1494 VanDerWaalsContact O-CB 3.29Å; L1490-H1494 WeakPolarHBondContact O-CB 3.23Å; L1490-H1494 PolarHBondContact O-CD2 3.05Å; L1490-H1494 VanDerWaalsContact O-CD2 3.27Å; L1490-H1494 PolarHBondContact O-N 3.06Å; H1494-Q1497 VanDerWaalsContact O-CD 3.23Å; H1494-Q1497 WeakPolarHBondContact O-CG 3.27Å; H1494-Q1497 PolarHBondContact O-NE2 3.16Å; H1494-S1516 VanDerWaalsContact ND1-CB 3.35Å; H1494-S1516 WeakPolarHBondContact ND1-CB 3.42Å; H1494-S1516 PolarHBondContact ND1-OG 3.11Å; H1494-S1516 VanDerWaalsContact ND1-OG 3.1Å; H1494-S1516 WeakPolarHBondContact O-CB 3.43Å; H1494-S1516 PolarHBondContact O-OG 3.12Å; H1494-I1517 HydrophobicContact CB-CG2 4.23Å; H1494-I1517 PolarHBondContact O-N 2.78Å; H1494-L1518 HydrophobicContact CB-CD1 3.65Å; H1494-L1518 HydrophobicContact CB-CG 4.03Å; H1494-E1531 IonicContact CD2-OE1 3.34Å; H1494-E1531 IonicContact CE1-OE1 3.33Å; H1494-E1531 VanDerWaalsContact NE2-CD 3.3Å; H1494-E1531 IonicContact NE2-OE1 3.44Å; H1494-E1531 PolarHBondContact NE2-OE1 3.29Å |
| 1495 | L | 90.1 | Very high | 79.8 | Confident | 52.6 Ų | 52.6 | 51.8 Ų | 51.8 | 28% | 0.275 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -8.3 | 175.1 | -65.9 | -177.8 | 0 | 0 | 0 | 113.8 | V1493 Q1497 L1512 R1515 E1531 | V1493-L1495 VanDerWaalsContact C-N 3.35Å; V1493-L1495 PolarHBondContact O-N 3.12Å; L1495-Q1497 VanDerWaalsContact C-N 3.29Å; L1495-Q1497 PolarHBondContact O-N 3.07Å; L1495-L1512 HydrophobicContact CD1-CD1 4.2Å; L1495-L1512 HydrophobicContact CD2-CD1 3.87Å; L1495-R1515 HydrophobicContact CD2-CB 4.3Å; L1495-E1531 HydrophobicContact CD1-CG 4.24Å; L1495-E1531 WeakPolarHBondContact CD1-OE1 3.4Å; L1495-E1531 WeakPolarHBondContact CD1-OE2 3.36Å |
| 1496 | L | 90.3 | Very high | 77.4 | Confident | 94.4 Ų | 94.4 | 53.8 Ų | 53.8 | 49% | 0.494 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -91.6 | 17.7 | -177.2 | -60.9 | -178.3 | 0 | 0 | 0 | 112.8 | L1463 P1464 D1492 V1493 | L1463-L1496 CarbonylContact C-O 3.51Å; L1463-L1496 HydrophobicContact CB-CB 4.4Å; L1463-L1496 HydrophobicContact CD1-CB 4.46Å; L1463-L1496 HydrophobicContact CD1-CD1 3.93Å; L1463-L1496 HydrophobicContact CD2-CB 3.78Å; L1463-L1496 HydrophobicContact CD2-CD1 3.76Å; L1463-L1496 HydrophobicContact CD2-CG 4.42Å; L1463-L1496 VanDerWaalsContact CD2-O 3.26Å; L1463-L1496 WeakPolarHBondContact CD2-O 3.38Å; L1463-L1496 HydrophobicContact CG-CB 4.22Å; P1464-L1496 VanDerWaalsContact CA-O 3.23Å; P1464-L1496 WeakPolarHBondContact CA-O 3.35Å; P1464-L1496 WeakPolarHBondContact CB-O 3.25Å; D1492-L1496 VanDerWaalsContact O-CD1 3.28Å; D1492-L1496 WeakPolarHBondContact O-CD1 3.34Å; V1493-L1496 PolarHBondContact O-N 3.14Å; V1493-L1496 VanDerWaalsContact O-N 3.13Å |
| 1497 | Q | 89.3 | Confident | 75 | Confident | 18.4 Ų | 18.4 | 55.6 Ų | 55.6 | 9% | 0.086 | 30% | 0.298 | C | S | . | . | trans | -90.8 | 144.3 | -178 | -56.9 | -95.1 | -34.1 | 0 | 0 | 111.5 | L1463 Y1467 F1472 V1493 H1494 L1495 L1499 I1517 | L1463-Q1497 PolarHBondContact O-NE2 3.31Å; L1463-Q1497 VanDerWaalsContact O-NE2 3.12Å; L1463-Q1497 PolarHBondContact O-OE1 2.91Å; L1463-Q1497 VanDerWaalsContact O-OE1 3.12Å; Y1467-Q1497 HydrophobicContact CD1-CB 4.36Å; Y1467-Q1497 VanDerWaalsContact N-OE1 3.08Å; F1472-Q1497 HydrophobicContact CE2-CG 3.85Å; F1472-Q1497 HydrophobicContact CZ-CG 3.77Å; V1493-Q1497 VanDerWaalsContact CG1-NE2 3.32Å; V1493-Q1497 PolarHBondContact O-NE2 3.24Å; H1494-Q1497 VanDerWaalsContact O-CD 3.23Å; H1494-Q1497 WeakPolarHBondContact O-CG 3.27Å; H1494-Q1497 PolarHBondContact O-NE2 3.16Å; L1495-Q1497 VanDerWaalsContact C-N 3.29Å; L1495-Q1497 PolarHBondContact O-N 3.07Å; Q1497-L1499 VanDerWaalsContact C-N 3.3Å; Q1497-L1499 HydrophobicContact CB-CB 4.24Å; Q1497-L1499 PolarHBondContact O-N 2.99Å; Q1497-I1517 HydrophobicContact CB-CB 4.36Å; Q1497-I1517 HydrophobicContact CG-CB 4.06Å; Q1497-I1517 HydrophobicContact CG-CG2 3.89Å | ||
| 1498 | A | 80.2 | Confident | 72.3 | Confident | 61 Ų | 61 | 59.8 Ų | 59.8 | 50% | 0.504 | 33% | 0.328 | S | S | . | . | trans | -84.1 | 12.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P1464 R1500 | P1464-A1498 HydrophobicContact CB-CB 3.76Å; P1464-A1498 WeakPolarHBondContact O-CB 3.27Å; P1464-A1498 PolarHBondContact O-N 3.07Å; A1498-R1500 PolarHBondContact O-N 3.13Å; A1498-R1500 VanDerWaalsContact O-N 3.13Å | ||
| 1499 | L | 72.2 | Confident | 69.9 | Low | 31.4 Ų | 31.4 | 57.2 Ų | 57.2 | 16% | 0.164 | 33% | 0.325 | C | S | . | . | trans | -74.9 | 118.1 | 175.7 | -176 | 71.2 | 0 | 0 | 0 | 109.3 | Y1467 Q1497 L1501 I1517 | Y1467-L1499 HydrophobicContact CD1-CB 4.36Å; Y1467-L1499 HydrophobicContact CD2-CB 4.37Å; Y1467-L1499 HydrophobicContact CD2-CD1 4.33Å; Y1467-L1499 HydrophobicContact CE1-CB 4.19Å; Y1467-L1499 HydrophobicContact CE2-CB 4.11Å; Y1467-L1499 HydrophobicContact CE2-CD1 4Å; Y1467-L1499 HydrophobicContact CE2-CG 4.45Å; Y1467-L1499 HydrophobicContact CG-CB 4.43Å; Q1497-L1499 VanDerWaalsContact C-N 3.3Å; Q1497-L1499 HydrophobicContact CB-CB 4.24Å; Q1497-L1499 PolarHBondContact O-N 2.99Å; L1499-L1501 HydrophobicContact CD2-CD1 3.53Å; L1499-L1501 VanDerWaalsContact CD2-CD1 3.47Å; L1499-L1501 HydrophobicContact CD2-CG 4Å; L1499-L1501 HydrophobicContact CG-CD1 4.11Å; L1499-L1501 HydrophobicContact CG-CG 4.25Å; L1499-I1517 HydrophobicContact CB-CD1 4.33Å; L1499-I1517 HydrophobicContact CD2-CB 3.92Å; L1499-I1517 HydrophobicContact CD2-CD1 3.54Å; L1499-I1517 HydrophobicContact CD2-CG1 4.49Å; L1499-I1517 HydrophobicContact CG-CD1 4.4Å | ||
| 1500 | R | 61.8 | Low | 67.9 | Low | 196.4 Ų | 196.4 | 63 Ų | 63 | 74% | 0.741 | 36% | 0.355 | S | S | * | . | trans | -103.1 | 104.4 | 167.3 | -68.1 | -174.2 | -170.1 | 153.7 | 1.5 | 108.7 | A1498 D1502 | A1498-R1500 PolarHBondContact O-N 3.13Å; A1498-R1500 VanDerWaalsContact O-N 3.13Å; R1500-D1502 VanDerWaalsContact C-N 3.31Å; R1500-D1502 PolarHBondContact O-N 3.22Å | ||
| 1501 | L | 59.2 | Low | 66.4 | Low | 13.8 Ų | 13.8 | 66.8 Ų | 66.8 | 7% | 0.072 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -19.6 | 175.5 | -81.2 | 137.4 | 0 | 0 | 0 | 112.6 | L1499 E1503 F1504 T1505 T1513 S1514 S1516 N1520 | L1499-L1501 HydrophobicContact CD2-CD1 3.53Å; L1499-L1501 VanDerWaalsContact CD2-CD1 3.47Å; L1499-L1501 HydrophobicContact CD2-CG 4Å; L1499-L1501 HydrophobicContact CG-CD1 4.11Å; L1499-L1501 HydrophobicContact CG-CG 4.25Å; L1501-E1503 VanDerWaalsContact C-N 3.27Å; L1501-E1503 PolarHBondContact O-N 3.15Å; L1501-E1503 VanDerWaalsContact O-N 3.1Å; L1501-F1504 CarbonylContact O-C 3.43Å; L1501-F1504 VanDerWaalsContact O-CA 3.32Å; L1501-F1504 WeakPolarHBondContact O-CA 3.3Å; L1501-F1504 WeakPolarHBondContact O-CB 3.2Å; L1501-F1504 PolarHBondContact O-N 3.16Å; L1501-F1504 VanDerWaalsContact O-N 3.1Å; L1501-T1505 HydrophobicContact CB-CG2 4.38Å; L1501-T1505 HydrophobicContact CD2-CG2 4.05Å; L1501-T1505 PolarHBondContact O-N 3.13Å; L1501-T1505 VanDerWaalsContact O-N 3.13Å; L1501-T1505 PolarHBondContact O-OG1 3.21Å; L1501-T1513 VanDerWaalsContact CD1-O 3.26Å; L1501-T1513 WeakPolarHBondContact CD1-O 3.28Å; L1501-S1514 WeakPolarHBondContact CB-O 3.42Å; L1501-S1514 VanDerWaalsContact CD1-O 3.3Å; L1501-S1514 WeakPolarHBondContact CD1-O 3.25Å; L1501-S1514 PolarHBondContact N-O 3.21Å; L1501-S1516 VanDerWaalsContact CD1-O 3.29Å; L1501-S1516 WeakPolarHBondContact CD1-O 3.5Å; L1501-N1520 VanDerWaalsContact CD2-ND2 3.29Å; L1501-N1520 WeakPolarHBondContact CD2-ND2 3.32Å; L1501-N1520 VanDerWaalsContact CD2-OD1 3.25Å; L1501-N1520 WeakPolarHBondContact CD2-OD1 3.34Å |
| 1502 | D | 49 | Very low | 65.2 | Low | 73 Ų | 73 | 66.9 Ų | 66.9 | 39% | 0.39 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -54.8 | -34.9 | -176.5 | -126 | 13.1 | 0 | 0 | 0 | 113.7 | R1500 F1504 T1505 G1506 S1507 G1509 | R1500-D1502 VanDerWaalsContact C-N 3.31Å; R1500-D1502 PolarHBondContact O-N 3.22Å; D1502-F1504 PolarHBondContact O-N 3.12Å; D1502-F1504 VanDerWaalsContact O-N 3.13Å; D1502-T1505 PolarHBondContact O-N 2.89Å; D1502-G1506 PolarHBondContact O-N 3.03Å; D1502-S1507 VanDerWaalsContact CG-O 3.25Å; D1502-S1507 VanDerWaalsContact OD1-O 3.11Å; D1502-G1509 VanDerWaalsContact CG-N 3.31Å; D1502-G1509 WeakPolarHBondContact OD1-CA 3.16Å; D1502-G1509 PolarHBondContact OD1-N 3.31Å; D1502-G1509 WeakPolarHBondContact OD2-CA 3.27Å; D1502-G1509 PolarHBondContact OD2-N 3.1Å |
| 1503 | E | 47.1 | Very low | 64 | Low | 142.8 Ų | 142.8 | 64 Ų | 64 | 67% | 0.667 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.6 | -20.6 | 176.7 | -73.1 | -167.5 | 177 | 0 | 0 | 113.1 | L1501 R1692 | L1501-E1503 VanDerWaalsContact C-N 3.27Å; L1501-E1503 PolarHBondContact O-N 3.15Å; L1501-E1503 VanDerWaalsContact O-N 3.1Å; E1503-R1692 IonicContact OE1-NH2 3.06Å; E1503-R1692 PolarHBondContact OE1-NH2 3.21Å; E1503-R1692 VanDerWaalsContact OE1-NH2 3.15Å; E1503-R1692 IonicContact OE2-NH2 3.84Å; E1503-R1692 PolarHBondContact OE2-NH2 2.83Å |
| 1504 | F | 45.3 | Very low | 62.9 | Low | 83.6 Ų | 83.6 | 64.3 Ų | 64.3 | 37% | 0.367 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -107.6 | -31.3 | -174.7 | -65.2 | -77.2 | 0 | 0 | 0 | 113.7 | L1501 D1502 F1695 T1699 Q1703 | L1501-F1504 CarbonylContact O-C 3.43Å; L1501-F1504 VanDerWaalsContact O-CA 3.32Å; L1501-F1504 WeakPolarHBondContact O-CA 3.3Å; L1501-F1504 WeakPolarHBondContact O-CB 3.2Å; L1501-F1504 PolarHBondContact O-N 3.16Å; L1501-F1504 VanDerWaalsContact O-N 3.1Å; D1502-F1504 PolarHBondContact O-N 3.12Å; D1502-F1504 VanDerWaalsContact O-N 3.13Å; F1504-F1695 HydrophobicContact CE1-CE1 4.26Å; F1504-T1699 HydrophobicContact CD1-CG2 4.04Å; F1504-T1699 HydrophobicContact CE1-CG2 4.04Å; F1504-Q1703 VanDerWaalsContact O-CD 3.24Å; F1504-Q1703 PolarHBondContact O-NE2 3.05Å; F1504-Q1703 PolarHBondContact O-OE1 3.19Å |
| 1505 | T | 45.8 | Very low | 62.3 | Low | 47.6 Ų | 47.6 | 71 Ų | 71 | 29% | 0.292 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -101.3 | 1.8 | -175 | 51.2 | 0 | 0 | 0 | 0 | 113 | L1501 D1502 S1507 I1591 | L1501-T1505 HydrophobicContact CB-CG2 4.38Å; L1501-T1505 HydrophobicContact CD2-CG2 4.05Å; L1501-T1505 PolarHBondContact O-N 3.13Å; L1501-T1505 VanDerWaalsContact O-N 3.13Å; L1501-T1505 PolarHBondContact O-OG1 3.21Å; D1502-T1505 PolarHBondContact O-N 2.89Å; T1505-S1507 WeakPolarHBondContact CB-OG 3.24Å; T1505-S1507 PolarHBondContact O-N 2.91Å; T1505-S1507 PolarHBondContact O-OG 3.23Å; T1505-S1507 PolarHBondContact OG1-OG 3.04Å; T1505-I1591 HydrophobicContact CG2-CD1 4.18Å |
| 1506 | G | 42.4 | Very low | 62.2 | Low | 76.4 Ų | 76.4 | 68.6 Ų | 68.6 | 79% | 0.788 | 38% | 0.378 | S | S | * | . | trans | 49.4 | 10.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1502 S1508 | D1502-G1506 PolarHBondContact O-N 3.03Å; G1506-S1508 PolarHBondContact O-N 2.74Å | ||
| 1507 | S | 44.2 | Very low | 62 | Low | 47 Ų | 47 | 64.3 Ų | 64.3 | 33% | 0.329 | 36% | 0.356 | S | S | . | . | trans | -87.3 | 113.9 | 174.9 | 54.3 | 0 | 0 | 0 | 0 | 108.9 | D1502 T1505 G1509 | D1502-S1507 VanDerWaalsContact CG-O 3.25Å; D1502-S1507 VanDerWaalsContact OD1-O 3.11Å; T1505-S1507 WeakPolarHBondContact CB-OG 3.24Å; T1505-S1507 PolarHBondContact O-N 2.91Å; T1505-S1507 PolarHBondContact O-OG 3.23Å; T1505-S1507 PolarHBondContact OG1-OG 3.04Å; S1507-G1509 PolarHBondContact O-N 3.39Å | ||
| 1508 | S | 40.2 | Very low | 62.1 | Low | 90.4 Ų | 90.4 | 63.5 Ų | 63.5 | 63% | 0.632 | 35% | 0.352 | S | S | * | . | trans | -57.2 | 107.4 | 174.2 | 55.6 | 0 | 0 | 0 | 0 | 111.4 | G1506 I1510 | G1506-S1508 PolarHBondContact O-N 2.74Å; S1508-I1510 PolarHBondContact O-N 3.36Å | ||
| 1509 | G | 45.8 | Very low | 62.4 | Low | 29.2 Ų | 29.2 | 60.8 Ų | 60.8 | 30% | 0.301 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 72.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | D1502 S1507 D1511 S1514 | D1502-G1509 VanDerWaalsContact CG-N 3.31Å; D1502-G1509 WeakPolarHBondContact OD1-CA 3.16Å; D1502-G1509 PolarHBondContact OD1-N 3.31Å; D1502-G1509 WeakPolarHBondContact OD2-CA 3.27Å; D1502-G1509 PolarHBondContact OD2-N 3.1Å; S1507-G1509 PolarHBondContact O-N 3.39Å; G1509-D1511 VanDerWaalsContact C-N 3.29Å; G1509-D1511 PolarHBondContact O-N 2.83Å; G1509-S1514 WeakPolarHBondContact CA-OG 3.45Å |
| 1510 | I | 54.3 | Low | 63 | Low | 121.2 Ų | 121.2 | 60.2 Ų | 60.2 | 62% | 0.622 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -14.8 | 172.6 | -60 | 160.6 | 0 | 0 | 0 | 111.9 | S1508 L1512 | S1508-I1510 PolarHBondContact O-N 3.36Å; I1510-L1512 PolarHBondContact O-N 3.4Å |
| 1511 | D | 63.6 | Low | 64.3 | Low | 82.2 Ų | 82.2 | 51 Ų | 51 | 44% | 0.44 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -77.3 | 133.8 | -175.1 | -68.8 | -10.9 | 0 | 0 | 0 | 111.1 | G1509 T1513 S1514 | G1509-D1511 VanDerWaalsContact C-N 3.29Å; G1509-D1511 PolarHBondContact O-N 2.83Å; D1511-T1513 PolarHBondContact O-N 3.38Å; D1511-T1513 VanDerWaalsContact O-N 3.11Å; D1511-S1514 WeakPolarHBondContact O-CB 3.35Å; D1511-S1514 PolarHBondContact O-N 3.08Å; D1511-S1514 VanDerWaalsContact O-N 3.12Å; D1511-S1514 PolarHBondContact O-OG 3.12Å |
| 1512 | L | 69.2 | Low | 65.9 | Low | 51.2 Ų | 51.2 | 50.5 Ų | 50.5 | 27% | 0.268 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -53.8 | -30.9 | -178.9 | -171.8 | 68.4 | 0 | 0 | 0 | 112.4 | L1495 I1510 S1514 R1515 S1516 I1527 A1528 E1531 | L1495-L1512 HydrophobicContact CD1-CD1 4.2Å; L1495-L1512 HydrophobicContact CD2-CD1 3.87Å; I1510-L1512 PolarHBondContact O-N 3.4Å; L1512-S1514 VanDerWaalsContact C-N 3.34Å; L1512-S1514 PolarHBondContact O-N 3.35Å; L1512-R1515 PolarHBondContact O-N 3.23Å; L1512-S1516 WeakPolarHBondContact O-CB 3.38Å; L1512-S1516 PolarHBondContact O-N 3.25Å; L1512-S1516 VanDerWaalsContact O-N 3.09Å; L1512-I1527 HydrophobicContact CD2-CB 4.03Å; L1512-I1527 HydrophobicContact CD2-CG2 3.78Å; L1512-I1527 HydrophobicContact CG-CB 4.47Å; L1512-I1527 HydrophobicContact CG-CG2 3.91Å; L1512-A1528 VanDerWaalsContact CD2-CA 3.44Å; L1512-A1528 HydrophobicContact CD2-CB 4.14Å; L1512-E1531 HydrophobicContact CD1-CG 4.36Å; L1512-E1531 HydrophobicContact CD2-CB 4.39Å; L1512-E1531 HydrophobicContact CD2-CG 4.06Å |
| 1513 | T | 68.2 | Low | 67.9 | Low | 25.8 Ų | 25.8 | 47.4 Ų | 47.4 | 16% | 0.158 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.1 | -38 | 178.6 | 49.1 | 0 | 0 | 0 | 0 | 113.1 | L1501 D1511 R1515 S1516 D1524 I1527 | L1501-T1513 VanDerWaalsContact CD1-O 3.26Å; L1501-T1513 WeakPolarHBondContact CD1-O 3.28Å; D1511-T1513 PolarHBondContact O-N 3.38Å; D1511-T1513 VanDerWaalsContact O-N 3.11Å; T1513-R1515 VanDerWaalsContact C-N 3.27Å; T1513-R1515 PolarHBondContact O-N 3.15Å; T1513-S1516 PolarHBondContact O-N 3.22Å; T1513-S1516 VanDerWaalsContact O-O 3.1Å; T1513-D1524 HydrophobicContact CG2-CB 3.85Å; T1513-D1524 WeakPolarHBondContact CG2-OD1 3.4Å; T1513-D1524 VanDerWaalsContact CG2-OD2 3.22Å; T1513-D1524 WeakPolarHBondContact CG2-OD2 3.48Å; T1513-D1524 PolarHBondContact OG1-OD2 2.71Å; T1513-I1527 HydrophobicContact CG2-CD1 3.93Å |
| 1514 | S | 70.8 | Confident | 69.8 | Low | 12.2 Ų | 12.2 | 43.4 Ų | 43.4 | 9% | 0.085 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.8 | -18.8 | 177.9 | 70 | 0 | 0 | 0 | 0 | 113 | L1501 G1509 D1511 L1512 | L1501-S1514 WeakPolarHBondContact CB-O 3.42Å; L1501-S1514 VanDerWaalsContact CD1-O 3.3Å; L1501-S1514 WeakPolarHBondContact CD1-O 3.25Å; L1501-S1514 PolarHBondContact N-O 3.21Å; G1509-S1514 WeakPolarHBondContact CA-OG 3.45Å; D1511-S1514 WeakPolarHBondContact O-CB 3.35Å; D1511-S1514 PolarHBondContact O-N 3.08Å; D1511-S1514 VanDerWaalsContact O-N 3.12Å; D1511-S1514 PolarHBondContact O-OG 3.12Å; L1512-S1514 VanDerWaalsContact C-N 3.34Å; L1512-S1514 PolarHBondContact O-N 3.35Å |
| 1515 | R | 79.5 | Confident | 71.9 | Confident | 141.4 Ų | 141.4 | 39.5 Ų | 39.5 | 53% | 0.534 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -91.4 | -18.9 | -178.5 | -63.7 | 178.4 | 96.8 | -160.1 | -4.8 | 113.6 | L1495 L1512 T1513 | L1495-R1515 HydrophobicContact CD2-CB 4.3Å; L1512-R1515 PolarHBondContact O-N 3.23Å; T1513-R1515 VanDerWaalsContact C-N 3.27Å; T1513-R1515 PolarHBondContact O-N 3.15Å |
| 1516 | S | 87.4 | Confident | 74.2 | Confident | 0.2 Ų | 0.2 | 37.2 Ų | 37.2 | 0% | 0.001 | 23% | 0.226 | C | C | . | . | trans | -114.5 | 134.5 | -175.3 | 177.5 | 0 | 0 | 0 | 0 | 111 | H1494 L1501 L1512 T1513 L1518 G1519 | H1494-S1516 VanDerWaalsContact ND1-CB 3.35Å; H1494-S1516 WeakPolarHBondContact ND1-CB 3.42Å; H1494-S1516 PolarHBondContact ND1-OG 3.11Å; H1494-S1516 VanDerWaalsContact ND1-OG 3.1Å; H1494-S1516 WeakPolarHBondContact O-CB 3.43Å; H1494-S1516 PolarHBondContact O-OG 3.12Å; L1501-S1516 VanDerWaalsContact CD1-O 3.29Å; L1501-S1516 WeakPolarHBondContact CD1-O 3.5Å; L1512-S1516 WeakPolarHBondContact O-CB 3.38Å; L1512-S1516 PolarHBondContact O-N 3.25Å; L1512-S1516 VanDerWaalsContact O-N 3.09Å; T1513-S1516 PolarHBondContact O-N 3.22Å; T1513-S1516 VanDerWaalsContact O-O 3.1Å; S1516-L1518 PolarHBondContact O-N 3.14Å; S1516-L1518 VanDerWaalsContact O-N 3.09Å; S1516-L1518 WeakPolarHBondContact OG-CB 3.3Å; S1516-L1518 PolarHBondContact OG-N 3.16Å; S1516-L1518 VanDerWaalsContact OG-N 3.12Å; S1516-G1519 PolarHBondContact O-N 3.17Å | ||
| 1517 | I | 87.2 | Confident | 76.5 | Confident | 5.8 Ų | 5.8 | 33.6 Ų | 33.6 | 3% | 0.03 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -58.3 | -23.7 | 169.9 | -169.7 | 60.2 | 0 | 0 | 0 | 112.5 | Y1467 F1472 H1494 Q1497 L1499 G1519 N1520 M1521 F1586 | Y1467-I1517 HydrophobicContact CD2-CD1 4.26Å; Y1467-I1517 HydrophobicContact CG-CD1 4.28Å; F1472-I1517 HydrophobicContact CB-CG1 4.48Å; F1472-I1517 HydrophobicContact CB-CG2 3.81Å; F1472-I1517 HydrophobicContact CD1-CG2 3.86Å; F1472-I1517 HydrophobicContact CD2-CB 4.39Å; F1472-I1517 HydrophobicContact CD2-CG1 3.68Å; F1472-I1517 HydrophobicContact CD2-CG2 3.66Å; F1472-I1517 VanDerWaalsContact CD2-CG2 3.41Å; F1472-I1517 HydrophobicContact CE1-CG2 3.61Å; F1472-I1517 HydrophobicContact CE2-CB 4.42Å; F1472-I1517 HydrophobicContact CE2-CG1 4.07Å; F1472-I1517 HydrophobicContact CE2-CG2 3.84Å; F1472-I1517 HydrophobicContact CG-CG1 4.1Å; F1472-I1517 HydrophobicContact CG-CG2 3.69Å; F1472-I1517 VanDerWaalsContact CG-CG2 3.47Å; F1472-I1517 HydrophobicContact CZ-CG2 3.62Å; H1494-I1517 HydrophobicContact CB-CG2 4.23Å; H1494-I1517 PolarHBondContact O-N 2.78Å; Q1497-I1517 HydrophobicContact CB-CB 4.36Å; Q1497-I1517 HydrophobicContact CG-CB 4.06Å; Q1497-I1517 HydrophobicContact CG-CG2 3.89Å; L1499-I1517 HydrophobicContact CB-CD1 4.33Å; L1499-I1517 HydrophobicContact CD2-CB 3.92Å; L1499-I1517 HydrophobicContact CD2-CD1 3.54Å; L1499-I1517 HydrophobicContact CD2-CG1 4.49Å; L1499-I1517 HydrophobicContact CG-CD1 4.4Å; I1517-G1519 VanDerWaalsContact C-N 3.25Å; I1517-G1519 PolarHBondContact O-N 3.08Å; I1517-N1520 PolarHBondContact O-N 3.13Å; I1517-N1520 VanDerWaalsContact O-N 3.16Å; I1517-M1521 HydrophobicContact CG1-CE 4.41Å; I1517-M1521 HydrophobicContact CG2-CE 4.42Å; I1517-M1521 WeakPolarHBondContact O-CE 3.34Å; I1517-F1586 HydrophobicContact CD1-CE2 4.26Å; I1517-F1586 HydrophobicContact CD1-CZ 4.12Å |
| 1518 | L | 90.4 | Very high | 78.7 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -68.6 | -18.9 | 176.2 | -59.9 | 178.3 | 0 | 0 | 0 | 112.2 | F1472 L1476 L1490 H1494 S1516 N1520 M1521 L1522 I1527 L1530 | F1472-L1518 HydrophobicContact CB-CD2 4.39Å; F1472-L1518 HydrophobicContact CD1-CD2 3.85Å; F1472-L1518 HydrophobicContact CD1-CG 4.22Å; F1472-L1518 HydrophobicContact CG-CD2 4.45Å; L1476-L1518 HydrophobicContact CD1-CD2 3.94Å; L1490-L1518 HydrophobicContact CD2-CD1 4.42Å; L1490-L1518 HydrophobicContact CD2-CD2 4.23Å; H1494-L1518 HydrophobicContact CB-CD1 3.65Å; H1494-L1518 HydrophobicContact CB-CG 4.03Å; S1516-L1518 PolarHBondContact O-N 3.14Å; S1516-L1518 VanDerWaalsContact O-N 3.09Å; S1516-L1518 WeakPolarHBondContact OG-CB 3.3Å; S1516-L1518 PolarHBondContact OG-N 3.16Å; S1516-L1518 VanDerWaalsContact OG-N 3.12Å; L1518-N1520 PolarHBondContact O-N 3.16Å; L1518-N1520 VanDerWaalsContact O-N 3.12Å; L1518-M1521 HydrophobicContact CD2-CE 4.1Å; L1518-M1521 PolarHBondContact O-N 3.13Å; L1518-L1522 HydrophobicContact CB-CD1 4.33Å; L1518-L1522 HydrophobicContact CD1-CD1 4.23Å; L1518-L1522 HydrophobicContact CD2-CD1 4.29Å; L1518-L1522 PolarHBondContact O-N 3.31Å; L1518-I1527 HydrophobicContact CB-CD1 4.02Å; L1518-I1527 HydrophobicContact CB-CG1 4.18Å; L1518-L1530 HydrophobicContact CD1-CD2 4.01Å |
| 1519 | G | 86 | Confident | 81.1 | Confident | 6.2 Ų | 6.2 | 28.5 Ų | 28.5 | 6% | 0.064 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -58.9 | -24.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1516 I1517 I1527 | S1516-G1519 PolarHBondContact O-N 3.17Å; I1517-G1519 VanDerWaalsContact C-N 3.25Å; I1517-G1519 PolarHBondContact O-N 3.08Å; G1519-I1527 VanDerWaalsContact CA-CD1 3.43Å |
| 1520 | N | 85.2 | Confident | 83.3 | Confident | 18.4 Ų | 18.4 | 27.1 Ų | 27.1 | 10% | 0.098 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -83.9 | -16.6 | 175.6 | -68.7 | -1.4 | 0 | 0 | 0 | 113.1 | L1501 I1517 L1518 M1589 I1591 I1592 | L1501-N1520 VanDerWaalsContact CD2-ND2 3.29Å; L1501-N1520 WeakPolarHBondContact CD2-ND2 3.32Å; L1501-N1520 VanDerWaalsContact CD2-OD1 3.25Å; L1501-N1520 WeakPolarHBondContact CD2-OD1 3.34Å; I1517-N1520 PolarHBondContact O-N 3.13Å; I1517-N1520 VanDerWaalsContact O-N 3.16Å; L1518-N1520 PolarHBondContact O-N 3.16Å; L1518-N1520 VanDerWaalsContact O-N 3.12Å; N1520-M1589 WeakPolarHBondContact CB-O 3.38Å; N1520-M1589 PolarHBondContact ND2-O 3.22Å; N1520-I1591 HydrophobicContact CB-CG1 4.47Å; N1520-I1591 CarbonylContact O-C 3.45Å; N1520-I1591 WeakPolarHBondContact O-CA 3.42Å; N1520-I1591 VanDerWaalsContact OD1-CG1 3.31Å; N1520-I1591 WeakPolarHBondContact OD1-CG1 3.17Å; N1520-I1592 WeakPolarHBondContact O-CG1 3.3Å; N1520-I1592 PolarHBondContact O-N 3.1Å |
| 1521 | M | 89.7 | Confident | 85.1 | Confident | 1.6 Ų | 1.6 | 24.2 Ų | 24.2 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -46.7 | -173.3 | -69.2 | 171.7 | -75.1 | 0 | 0 | 112.4 | F1472 Y1473 L1476 I1517 L1518 I1565 M1589 I1592 Y1594 | F1472-M1521 HydrophobicContact CB-CE 3.87Å; Y1473-M1521 HydrophobicContact CD1-CE 4.05Å; Y1473-M1521 HydrophobicContact CD1-SD 3.36Å; Y1473-M1521 WeakPolarHBondContact CD1-SD 3.29Å; Y1473-M1521 HydrophobicContact CE1-CE 3.98Å; Y1473-M1521 HydrophobicContact CE1-CG 4.41Å; Y1473-M1521 HydrophobicContact CE1-SD 3.63Å; Y1473-M1521 VanDerWaalsContact CE1-SD 3.54Å; L1476-M1521 HydrophobicContact CD1-CB 3.84Å; L1476-M1521 HydrophobicContact CD1-CE 3.93Å; L1476-M1521 HydrophobicContact CD1-CG 4.35Å; L1476-M1521 HydrophobicContact CD1-SD 3.6Å; L1476-M1521 VanDerWaalsContact CD1-SD 3.57Å; I1517-M1521 HydrophobicContact CG1-CE 4.41Å; I1517-M1521 HydrophobicContact CG2-CE 4.42Å; I1517-M1521 WeakPolarHBondContact O-CE 3.34Å; L1518-M1521 HydrophobicContact CD2-CE 4.1Å; L1518-M1521 PolarHBondContact O-N 3.13Å; M1521-I1565 HydrophobicContact CG-CD1 4.28Å; M1521-I1565 HydrophobicContact CG-CG1 4.37Å; M1521-I1565 HydrophobicContact SD-CD1 3.96Å; M1521-I1565 HydrophobicContact SD-CG1 4.29Å; M1521-M1589 HydrophobicContact CB-CE 4.4Å; M1521-M1589 HydrophobicContact CG-CE 3.84Å; M1521-M1589 HydrophobicContact CG-SD 4.18Å; M1521-M1589 HydrophobicContact SD-CE 4.33Å; M1521-I1592 HydrophobicContact CB-CD1 4.33Å; M1521-I1592 HydrophobicContact CG-CD1 4.46Å; M1521-Y1594 WeakPolarHBondContact O-CE2 3.38Å; M1521-Y1594 PolarHBondContact O-OH 3.1Å |
| 1522 | L | 92.4 | Very high | 86.3 | Confident | 3.4 Ų | 3.4 | 24.3 Ų | 24.3 | 2% | 0.018 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -100.8 | 144.4 | -177.2 | -67.9 | 177.1 | 0 | 0 | 0 | 110.5 | L1476 L1518 M1526 I1527 F1538 F1542 W1553 M1561 | L1476-L1522 HydrophobicContact CD1-CD1 4.46Å; L1476-L1522 HydrophobicContact CD1-CG 4.27Å; L1476-L1522 HydrophobicContact CD2-CD1 4.33Å; L1476-L1522 HydrophobicContact CD2-CD2 4.45Å; L1518-L1522 HydrophobicContact CB-CD1 4.33Å; L1518-L1522 HydrophobicContact CD1-CD1 4.23Å; L1518-L1522 HydrophobicContact CD2-CD1 4.29Å; L1518-L1522 PolarHBondContact O-N 3.31Å; L1522-M1526 HydrophobicContact CB-CB 4.2Å; L1522-M1526 HydrophobicContact CD1-CB 4.49Å; L1522-I1527 HydrophobicContact CB-CG1 4.15Å; L1522-F1538 HydrophobicContact CD1-CZ 4.28Å; L1522-F1542 HydrophobicContact CD2-CE2 4.33Å; L1522-W1553 HydrophobicContact CD2-CH2 3.85Å; L1522-W1553 HydrophobicContact CD2-CZ2 4.36Å; L1522-W1553 HydrophobicContact CD2-CZ3 4.29Å; L1522-M1561 HydrophobicContact CD2-SD 3.52Å; L1522-M1561 VanDerWaalsContact CD2-SD 3.55Å; L1522-M1561 WeakPolarHBondContact CD2-SD 3.38Å; L1522-M1561 HydrophobicContact CG-SD 4.42Å |
| 1523 | P | 90.5 | Very high | 87.4 | Confident | 9.4 Ų | 9.4 | 22.4 Ų | 22.4 | 6% | 0.061 | 11% | 0.11 | C | C | . | . | trans | -58.1 | 151.5 | 169.3 | -20.6 | 31.1 | 0 | 0 | 0 | 112 | A1525 M1526 I1527 W1553 M1557 Y1594 L1597 | P1523-A1525 PolarHBondContact O-N 3.12Å; P1523-A1525 VanDerWaalsContact O-N 3.12Å; P1523-M1526 WeakPolarHBondContact O-CB 3.44Å; P1523-M1526 PolarHBondContact O-N 3.12Å; P1523-I1527 PolarHBondContact O-N 3.28Å; P1523-W1553 HydrophobicContact CG-CE3 4.22Å; P1523-W1553 HydrophobicContact CG-CZ3 4.05Å; P1523-M1557 HydrophobicContact CG-CE 4.02Å; P1523-Y1594 HydrophobicContact CG-CD2 3.79Å; P1523-Y1594 HydrophobicContact CG-CE2 3.65Å; P1523-Y1594 HydrophobicContact CG-CG 4.48Å; P1523-L1597 HydrophobicContact CB-CD1 3.76Å; P1523-L1597 HydrophobicContact CG-CD1 3.81Å | ||
| 1524 | D | 87.3 | Confident | 88.7 | Confident | 58 Ų | 58 | 24.1 Ų | 24.1 | 31% | 0.31 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -50.4 | -39.7 | 178.2 | -56.5 | 11.2 | 0 | 0 | 0 | 112.2 | T1513 M1526 I1527 A1528 F1602 | T1513-D1524 HydrophobicContact CG2-CB 3.85Å; T1513-D1524 WeakPolarHBondContact CG2-OD1 3.4Å; T1513-D1524 VanDerWaalsContact CG2-OD2 3.22Å; T1513-D1524 WeakPolarHBondContact CG2-OD2 3.48Å; T1513-D1524 PolarHBondContact OG1-OD2 2.71Å; D1524-M1526 PolarHBondContact O-N 3.18Å; D1524-I1527 PolarHBondContact O-N 3.18Å; D1524-A1528 WeakPolarHBondContact O-CB 3.37Å; D1524-A1528 PolarHBondContact O-N 3.3Å; D1524-F1602 HydrophobicContact CB-CD1 3.48Å; D1524-F1602 VanDerWaalsContact CB-CD1 3.47Å; D1524-F1602 HydrophobicContact CB-CE1 3.66Å; D1524-F1602 HydrophobicContact CB-CG 4.29Å |
| 1525 | A | 90.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.5 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | P1523 I1527 A1528 Y1529 F1602 Y1607 | P1523-A1525 PolarHBondContact O-N 3.12Å; P1523-A1525 VanDerWaalsContact O-N 3.12Å; A1525-I1527 VanDerWaalsContact C-N 3.32Å; A1525-I1527 PolarHBondContact O-N 3.12Å; A1525-A1528 PolarHBondContact O-N 3.15Å; A1525-Y1529 VanDerWaalsContact O-CB 3.24Å; A1525-Y1529 WeakPolarHBondContact O-CB 3.41Å; A1525-Y1529 PolarHBondContact O-N 3.09Å; A1525-F1602 VanDerWaalsContact CA-CE2 3.48Å; A1525-F1602 HydrophobicContact CB-CD2 3.87Å; A1525-F1602 HydrophobicContact CB-CE2 3.42Å; A1525-F1602 VanDerWaalsContact CB-CE2 3.42Å; A1525-F1602 HydrophobicContact CB-CZ 3.88Å; A1525-Y1607 HydrophobicContact CB-CD2 4.33Å; A1525-Y1607 HydrophobicContact CB-CE2 3.32Å; A1525-Y1607 VanDerWaalsContact CB-CZ 3.48Å; A1525-Y1607 VanDerWaalsContact CB-OH 3.27Å; A1525-Y1607 WeakPolarHBondContact CB-OH 3.42Å |
| 1526 | M | 92.7 | Very high | 90.5 | Very high | 0.4 Ų | 0.4 | 21.9 Ų | 21.9 | 0% | 0.002 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.6 | -35.1 | 179.9 | -71 | -61.7 | -74 | 0 | 0 | 111.6 | L1522 P1523 D1524 Y1529 L1530 F1538 I1541 F1542 W1553 | L1522-M1526 HydrophobicContact CB-CB 4.2Å; L1522-M1526 HydrophobicContact CD1-CB 4.49Å; P1523-M1526 WeakPolarHBondContact O-CB 3.44Å; P1523-M1526 PolarHBondContact O-N 3.12Å; D1524-M1526 PolarHBondContact O-N 3.18Å; M1526-Y1529 PolarHBondContact O-N 3.18Å; M1526-L1530 WeakPolarHBondContact O-CB 3.42Å; M1526-L1530 PolarHBondContact O-N 3.07Å; M1526-F1538 HydrophobicContact CB-CE2 4.42Å; M1526-F1538 HydrophobicContact CE-CD2 4.39Å; M1526-F1538 HydrophobicContact CE-CE2 3.77Å; M1526-F1538 HydrophobicContact CE-CZ 4.18Å; M1526-F1538 WeakPolarHBondContact O-CE2 3.45Å; M1526-I1541 HydrophobicContact CE-CG2 3.88Å; M1526-I1541 HydrophobicContact SD-CG2 3.66Å; M1526-I1541 VanDerWaalsContact SD-CG2 3.58Å; M1526-F1542 HydrophobicContact CE-CB 4.21Å; M1526-F1542 HydrophobicContact CE-CD2 4.1Å; M1526-W1553 HydrophobicContact CE-CB 4.41Å; M1526-W1553 HydrophobicContact CE-CD2 4.05Å; M1526-W1553 HydrophobicContact CE-CE3 4.49Å; M1526-W1553 HydrophobicContact CE-CG 3.9Å; M1526-W1553 HydrophobicContact CG-CB 4.47Å; M1526-W1553 HydrophobicContact CG-CD2 4.16Å; M1526-W1553 HydrophobicContact CG-CE3 3.92Å; M1526-W1553 HydrophobicContact CG-CG 4.43Å; M1526-W1553 HydrophobicContact CG-CZ3 4.42Å; M1526-W1553 HydrophobicContact SD-CB 3.72Å; M1526-W1553 HydrophobicContact SD-CD2 4.12Å; M1526-W1553 HydrophobicContact SD-CE3 4.38Å; M1526-W1553 HydrophobicContact SD-CG 3.81Å |
| 1527 | I | 92.1 | Very high | 90.8 | Very high | 0.2 Ų | 0.2 | 26.1 Ų | 26.1 | 0% | 0.001 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -71.2 | -44.8 | 177 | -56.3 | 174.6 | 0 | 0 | 0 | 110.2 | L1512 T1513 L1518 G1519 L1522 P1523 D1524 A1525 Y1529 L1530 E1531 | L1512-I1527 HydrophobicContact CD2-CB 4.03Å; L1512-I1527 HydrophobicContact CD2-CG2 3.78Å; L1512-I1527 HydrophobicContact CG-CB 4.47Å; L1512-I1527 HydrophobicContact CG-CG2 3.91Å; T1513-I1527 HydrophobicContact CG2-CD1 3.93Å; L1518-I1527 HydrophobicContact CB-CD1 4.02Å; L1518-I1527 HydrophobicContact CB-CG1 4.18Å; G1519-I1527 VanDerWaalsContact CA-CD1 3.43Å; L1522-I1527 HydrophobicContact CB-CG1 4.15Å; P1523-I1527 PolarHBondContact O-N 3.28Å; D1524-I1527 PolarHBondContact O-N 3.18Å; A1525-I1527 VanDerWaalsContact C-N 3.32Å; A1525-I1527 PolarHBondContact O-N 3.12Å; I1527-Y1529 VanDerWaalsContact C-N 3.28Å; I1527-Y1529 PolarHBondContact O-N 3.19Å; I1527-L1530 WeakPolarHBondContact O-CB 3.38Å; I1527-L1530 PolarHBondContact O-N 3.28Å; I1527-E1531 PolarHBondContact O-N 3.37Å; I1527-E1531 VanDerWaalsContact O-N 3.11Å |
| 1528 | A | 89.1 | Confident | 91.2 | Very high | 4.2 Ų | 4.2 | 26 Ų | 26 | 4% | 0.035 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.6 | -40.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1512 D1524 A1525 E1531 N1532 F1602 N1605 | L1512-A1528 VanDerWaalsContact CD2-CA 3.44Å; L1512-A1528 HydrophobicContact CD2-CB 4.14Å; D1524-A1528 WeakPolarHBondContact O-CB 3.37Å; D1524-A1528 PolarHBondContact O-N 3.3Å; A1525-A1528 PolarHBondContact O-N 3.15Å; A1528-E1531 PolarHBondContact O-N 3.14Å; A1528-N1532 VanDerWaalsContact O-CB 3.29Å; A1528-N1532 WeakPolarHBondContact O-CB 3.36Å; A1528-N1532 VanDerWaalsContact O-CG 3.25Å; A1528-N1532 PolarHBondContact O-N 3.1Å; A1528-N1532 PolarHBondContact O-ND2 3.02Å; A1528-N1532 VanDerWaalsContact O-ND2 3.12Å; A1528-F1602 HydrophobicContact CB-CE1 4.34Å; A1528-F1602 HydrophobicContact CB-CZ 3.91Å; A1528-N1605 WeakPolarHBondContact CB-OD1 3.3Å |
| 1529 | Y | 91.1 | Very high | 91.4 | Very high | 26.8 Ų | 26.8 | 26.5 Ų | 26.5 | 11% | 0.105 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.7 | -43.3 | 177.7 | -159 | -84.8 | 0 | 0 | 0 | 111.9 | A1525 M1526 I1527 E1531 N1532 H1533 K1537 F1538 I1541 E1550 A1551 | A1525-Y1529 VanDerWaalsContact O-CB 3.24Å; A1525-Y1529 WeakPolarHBondContact O-CB 3.41Å; A1525-Y1529 PolarHBondContact O-N 3.09Å; M1526-Y1529 PolarHBondContact O-N 3.18Å; I1527-Y1529 VanDerWaalsContact C-N 3.28Å; I1527-Y1529 PolarHBondContact O-N 3.19Å; Y1529-E1531 VanDerWaalsContact C-N 3.26Å; Y1529-E1531 PolarHBondContact O-N 3.14Å; Y1529-N1532 PolarHBondContact O-N 3.09Å; Y1529-H1533 HydrophobicContact CD1-CB 4.13Å; Y1529-H1533 AromaticContact CD1-CD2 3.87Å; Y1529-H1533 AromaticContact CD2-CD2 3.5Å; Y1529-H1533 VanDerWaalsContact CD2-CD2 3.44Å; Y1529-H1533 WeakPolarHBondContact CD2-CD2 3.4Å; Y1529-H1533 AromaticContact CD2-NE2 3.79Å; Y1529-H1533 HydrophobicContact CE1-CB 3.82Å; Y1529-H1533 AromaticContact CE1-CD2 3.76Å; Y1529-H1533 AromaticContact CE1-CG 3.8Å; Y1529-H1533 AromaticContact CE2-CD2 3.35Å; Y1529-H1533 VanDerWaalsContact CE2-CD2 3.46Å; Y1529-H1533 WeakPolarHBondContact CE2-CD2 3.28Å; Y1529-H1533 AromaticContact CE2-CE1 3.87Å; Y1529-H1533 AromaticContact CE2-CG 4Å; Y1529-H1533 AromaticContact CE2-NE2 3.37Å; Y1529-H1533 VanDerWaalsContact CE2-NE2 3.26Å; Y1529-H1533 WeakPolarHBondContact CE2-NE2 3.33Å; Y1529-H1533 AromaticContact CG-CD2 3.77Å; Y1529-H1533 AromaticContact CZ-CD2 3.47Å; Y1529-H1533 AromaticContact CZ-CE1 3.93Å; Y1529-H1533 AromaticContact CZ-CG 3.72Å; Y1529-H1533 AromaticContact CZ-ND1 3.94Å; Y1529-H1533 AromaticContact CZ-NE2 3.75Å; Y1529-H1533 WeakPolarHBondContact O-CB 3.37Å; Y1529-H1533 PolarHBondContact O-N 2.95Å; Y1529-H1533 VanDerWaalsContact O-N 3.07Å; Y1529-K1537 HydrophobicContact CE1-CB 3.87Å; Y1529-F1538 HydrophobicContact CD1-CD2 4.44Å; Y1529-I1541 HydrophobicContact CD1-CD1 3.86Å; Y1529-I1541 HydrophobicContact CD1-CG1 4.38Å; Y1529-I1541 HydrophobicContact CD2-CD1 3.81Å; Y1529-I1541 HydrophobicContact CE1-CB 4.42Å; Y1529-I1541 HydrophobicContact CE1-CD1 3.38Å; Y1529-I1541 VanDerWaalsContact CE1-CD1 3.42Å; Y1529-I1541 HydrophobicContact CE1-CG1 3.83Å; Y1529-I1541 HydrophobicContact CE2-CD1 3.33Å; Y1529-I1541 HydrophobicContact CG-CD1 4.06Å; Y1529-I1541 WeakPolarHBondContact OH-CD1 3.38Å; Y1529-E1550 HydrophobicContact CD2-CG 4.14Å; Y1529-E1550 HydrophobicContact CE2-CG 4.25Å; Y1529-A1551 HydrophobicContact CD2-CB 4.31Å |
| 1530 | L | 92.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.5 | -41 | 175 | -177.9 | 62.9 | 0 | 0 | 0 | 111.8 | L1490 K1491 L1518 M1526 I1527 H1533 F1538 | L1490-L1530 HydrophobicContact CB-CD2 4.1Å; K1491-L1530 HydrophobicContact CB-CD1 3.86Å; K1491-L1530 HydrophobicContact CB-CG 4.22Å; K1491-L1530 WeakPolarHBondContact CD-O 3.3Å; K1491-L1530 VanDerWaalsContact CE-O 3.27Å; K1491-L1530 WeakPolarHBondContact CE-O 3.26Å; K1491-L1530 HydrophobicContact CG-CD1 4.45Å; K1491-L1530 HydrophobicContact CG-CG 4.49Å; K1491-L1530 PolarHBondContact NZ-O 3.18Å; L1518-L1530 HydrophobicContact CD1-CD2 4.01Å; M1526-L1530 WeakPolarHBondContact O-CB 3.42Å; M1526-L1530 PolarHBondContact O-N 3.07Å; I1527-L1530 WeakPolarHBondContact O-CB 3.38Å; I1527-L1530 PolarHBondContact O-N 3.28Å; L1530-H1533 VanDerWaalsContact O-O 3.13Å; L1530-F1538 HydrophobicContact CB-CD2 3.62Å; L1530-F1538 HydrophobicContact CB-CE2 3.82Å; L1530-F1538 HydrophobicContact CB-CG 4.27Å; L1530-F1538 HydrophobicContact CD1-CB 3.94Å; L1530-F1538 HydrophobicContact CD1-CD1 3.76Å; L1530-F1538 HydrophobicContact CD1-CD2 3.77Å; L1530-F1538 HydrophobicContact CD1-CE1 4.18Å; L1530-F1538 HydrophobicContact CD1-CE2 4.18Å; L1530-F1538 HydrophobicContact CD1-CG 3.52Å; L1530-F1538 HydrophobicContact CD1-CZ 4.37Å; L1530-F1538 HydrophobicContact CG-CD2 4.25Å; L1530-F1538 HydrophobicContact CG-CE2 4.42Å; L1530-F1538 HydrophobicContact CG-CG 4.47Å |
| 1531 | E | 90.7 | Very high | 92 | Very high | 60.6 Ų | 60.6 | 31.3 Ų | 31.3 | 28% | 0.283 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -74.6 | -48.3 | 179.8 | -80.1 | -58.7 | 118 | 0 | 0 | 112.6 | K1491 H1494 L1495 L1512 I1527 A1528 Y1529 H1533 | K1491-E1531 PolarHBondContact NZ-O 3.05Å; K1491-E1531 IonicContact NZ-OE2 2.94Å; H1494-E1531 IonicContact CD2-OE1 3.34Å; H1494-E1531 IonicContact CE1-OE1 3.33Å; H1494-E1531 VanDerWaalsContact NE2-CD 3.3Å; H1494-E1531 IonicContact NE2-OE1 3.44Å; H1494-E1531 PolarHBondContact NE2-OE1 3.29Å; L1495-E1531 HydrophobicContact CD1-CG 4.24Å; L1495-E1531 WeakPolarHBondContact CD1-OE1 3.4Å; L1495-E1531 WeakPolarHBondContact CD1-OE2 3.36Å; L1512-E1531 HydrophobicContact CD1-CG 4.36Å; L1512-E1531 HydrophobicContact CD2-CB 4.39Å; L1512-E1531 HydrophobicContact CD2-CG 4.06Å; I1527-E1531 PolarHBondContact O-N 3.37Å; I1527-E1531 VanDerWaalsContact O-N 3.11Å; A1528-E1531 PolarHBondContact O-N 3.14Å; Y1529-E1531 VanDerWaalsContact C-N 3.26Å; Y1529-E1531 PolarHBondContact O-N 3.14Å; E1531-H1533 VanDerWaalsContact C-N 3.28Å; E1531-H1533 PolarHBondContact O-N 3.16Å |
| 1532 | N | 89.8 | Confident | 92.2 | Very high | 84.2 Ų | 84.2 | 31.7 Ų | 31.7 | 45% | 0.45 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -78.1 | -17.2 | -171.9 | -65.9 | -32.6 | 0 | 0 | 0 | 114.1 | A1528 Y1529 N1605 | A1528-N1532 VanDerWaalsContact O-CB 3.29Å; A1528-N1532 WeakPolarHBondContact O-CB 3.36Å; A1528-N1532 VanDerWaalsContact O-CG 3.25Å; A1528-N1532 PolarHBondContact O-N 3.1Å; A1528-N1532 PolarHBondContact O-ND2 3.02Å; A1528-N1532 VanDerWaalsContact O-ND2 3.12Å; Y1529-N1532 PolarHBondContact O-N 3.09Å; N1532-N1605 VanDerWaalsContact ND2-CG 3.34Å; N1532-N1605 PolarHBondContact ND2-OD1 2.89Å; N1532-N1605 VanDerWaalsContact ND2-OD1 3.12Å |
| 1533 | H | 92.3 | Very high | 92.1 | Very high | 10.8 Ų | 10.8 | 34.4 Ų | 34.4 | 5% | 0.05 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -122.9 | 155.9 | -176.6 | -68.5 | -84.9 | 0 | 0 | 0 | 113.3 | K1491 Y1529 L1530 E1531 K1537 E1550 R1623 | K1491-H1533 PolarHBondContact NZ-O 3.19Å; Y1529-H1533 HydrophobicContact CD1-CB 4.13Å; Y1529-H1533 AromaticContact CD1-CD2 3.87Å; Y1529-H1533 AromaticContact CD2-CD2 3.5Å; Y1529-H1533 VanDerWaalsContact CD2-CD2 3.44Å; Y1529-H1533 WeakPolarHBondContact CD2-CD2 3.4Å; Y1529-H1533 AromaticContact CD2-NE2 3.79Å; Y1529-H1533 HydrophobicContact CE1-CB 3.82Å; Y1529-H1533 AromaticContact CE1-CD2 3.76Å; Y1529-H1533 AromaticContact CE1-CG 3.8Å; Y1529-H1533 AromaticContact CE2-CD2 3.35Å; Y1529-H1533 VanDerWaalsContact CE2-CD2 3.46Å; Y1529-H1533 WeakPolarHBondContact CE2-CD2 3.28Å; Y1529-H1533 AromaticContact CE2-CE1 3.87Å; Y1529-H1533 AromaticContact CE2-CG 4Å; Y1529-H1533 AromaticContact CE2-NE2 3.37Å; Y1529-H1533 VanDerWaalsContact CE2-NE2 3.26Å; Y1529-H1533 WeakPolarHBondContact CE2-NE2 3.33Å; Y1529-H1533 AromaticContact CG-CD2 3.77Å; Y1529-H1533 AromaticContact CZ-CD2 3.47Å; Y1529-H1533 AromaticContact CZ-CE1 3.93Å; Y1529-H1533 AromaticContact CZ-CG 3.72Å; Y1529-H1533 AromaticContact CZ-ND1 3.94Å; Y1529-H1533 AromaticContact CZ-NE2 3.75Å; Y1529-H1533 WeakPolarHBondContact O-CB 3.37Å; Y1529-H1533 PolarHBondContact O-N 2.95Å; Y1529-H1533 VanDerWaalsContact O-N 3.07Å; L1530-H1533 VanDerWaalsContact O-O 3.13Å; E1531-H1533 VanDerWaalsContact C-N 3.28Å; E1531-H1533 PolarHBondContact O-N 3.16Å; H1533-K1537 HydrophobicContact CB-CB 4.17Å; H1533-K1537 HydrophobicContact CB-CD 4.2Å; H1533-E1550 IonicContact CD2-OE1 3.57Å; H1533-E1550 IonicContact CE1-OE1 2.99Å; H1533-E1550 IonicContact CE1-OE2 3.78Å; H1533-E1550 IonicContact NE2-OE1 3.29Å; H1533-E1550 PolarHBondContact NE2-OE1 3.17Å; H1533-E1550 IonicContact NE2-OE2 3.16Å; H1533-E1550 PolarHBondContact NE2-OE2 3.43Å; H1533-R1623 PolarHBondContact CE1-NH2 3.29Å; H1533-R1623 VanDerWaalsContact CE1-NH2 3.28Å; H1533-R1623 PolarHBondContact NE2-NH2 3.05Å |
| 1534 | P | 94.6 | Very high | 92.1 | Very high | 61 Ų | 61 | 35 Ų | 35 | 40% | 0.396 | 18% | 0.183 | S | C | . | . | trans | -61.2 | 152.2 | 174.1 | 27.2 | -36.2 | 0 | 0 | 0 | 111.7 | E1536 K1537 F1538 | P1534-E1536 WeakPolarHBondContact CB-OE2 3.48Å; P1534-E1536 PolarHBondContact O-N 3.25Å; P1534-E1536 VanDerWaalsContact O-N 3.12Å; P1534-K1537 HydrophobicContact CG-CB 4.46Å; P1534-K1537 HydrophobicContact CG-CD 4.19Å; P1534-K1537 HydrophobicContact CG-CG 4.06Å; P1534-K1537 PolarHBondContact O-N 3.31Å; P1534-F1538 PolarHBondContact O-N 3.14Å | ||
| 1535 | P | 93.7 | Very high | 92.3 | Very high | 20 Ų | 20 | 37.5 Ų | 37.5 | 13% | 0.13 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.2 | -25.5 | -173.4 | 24.4 | -33 | 0 | 0 | 0 | 113.3 | A1487 K1488 K1491 K1537 F1538 A1539 | A1487-P1535 HydrophobicContact CB-CB 4.05Å; A1487-P1535 WeakPolarHBondContact CB-O 3.25Å; K1488-P1535 HydrophobicContact CB-CB 4.48Å; K1488-P1535 HydrophobicContact CD-CG 4.49Å; K1488-P1535 HydrophobicContact CG-CB 3.76Å; K1488-P1535 HydrophobicContact CG-CG 3.64Å; K1491-P1535 HydrophobicContact CD-CB 4.49Å; P1535-K1537 VanDerWaalsContact C-N 3.35Å; P1535-F1538 PolarHBondContact O-N 3.2Å; P1535-A1539 WeakPolarHBondContact O-CB 3.36Å; P1535-A1539 PolarHBondContact O-N 3.09Å |
| 1536 | E | 96 | Very high | 92.4 | Very high | 88.4 Ų | 88.4 | 40.2 Ų | 40.2 | 41% | 0.413 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.4 | -43.4 | 173.7 | -65.9 | 70.3 | -155.1 | 0 | 0 | 111.8 | L1484 K1488 P1534 A1539 E1540 | L1484-E1536 HydrophobicContact CD1-CB 4.38Å; L1484-E1536 HydrophobicContact CD1-CG 3.85Å; K1488-E1536 VanDerWaalsContact CE-OE1 3.31Å; K1488-E1536 WeakPolarHBondContact CE-OE1 3.36Å; K1488-E1536 IonicContact NZ-OE1 3.44Å; K1488-E1536 PolarHBondContact NZ-OE1 3.47Å; P1534-E1536 WeakPolarHBondContact CB-OE2 3.48Å; P1534-E1536 PolarHBondContact O-N 3.25Å; P1534-E1536 VanDerWaalsContact O-N 3.12Å; E1536-A1539 WeakPolarHBondContact O-CB 3.14Å; E1536-A1539 PolarHBondContact O-N 3.01Å; E1536-E1540 PolarHBondContact O-N 3.1Å; E1536-E1540 VanDerWaalsContact O-N 3.11Å |
| 1537 | K | 93.8 | Very high | 92.3 | Very high | 88 Ų | 88 | 43.9 Ų | 43.9 | 38% | 0.383 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -70.8 | -36.9 | 177.4 | -70.2 | -170.4 | -179.8 | -174.1 | 0 | 112.1 | Y1529 H1533 P1534 P1535 A1539 E1540 I1541 | Y1529-K1537 HydrophobicContact CE1-CB 3.87Å; H1533-K1537 HydrophobicContact CB-CB 4.17Å; H1533-K1537 HydrophobicContact CB-CD 4.2Å; P1534-K1537 HydrophobicContact CG-CB 4.46Å; P1534-K1537 HydrophobicContact CG-CD 4.19Å; P1534-K1537 HydrophobicContact CG-CG 4.06Å; P1534-K1537 PolarHBondContact O-N 3.31Å; P1535-K1537 VanDerWaalsContact C-N 3.35Å; K1537-A1539 VanDerWaalsContact C-N 3.32Å; K1537-A1539 PolarHBondContact O-N 3.06Å; K1537-E1540 WeakPolarHBondContact O-CB 3.42Å; K1537-E1540 PolarHBondContact O-N 3.21Å; K1537-I1541 WeakPolarHBondContact O-CG1 3.36Å; K1537-I1541 PolarHBondContact O-N 3.21Å |
| 1538 | F | 94.9 | Very high | 92.3 | Very high | 4.2 Ų | 4.2 | 44.7 Ų | 44.7 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.2 | -41.7 | 174.3 | 178.4 | -91.9 | 0 | 0 | 0 | 111.2 | A1487 L1490 L1522 M1526 Y1529 L1530 P1534 P1535 E1540 I1541 F1542 | A1487-F1538 HydrophobicContact CB-CD1 3.83Å; L1490-F1538 HydrophobicContact CD1-CE1 4.47Å; L1522-F1538 HydrophobicContact CD1-CZ 4.28Å; M1526-F1538 HydrophobicContact CB-CE2 4.42Å; M1526-F1538 HydrophobicContact CE-CD2 4.39Å; M1526-F1538 HydrophobicContact CE-CE2 3.77Å; M1526-F1538 HydrophobicContact CE-CZ 4.18Å; M1526-F1538 WeakPolarHBondContact O-CE2 3.45Å; Y1529-F1538 HydrophobicContact CD1-CD2 4.44Å; L1530-F1538 HydrophobicContact CB-CD2 3.62Å; L1530-F1538 HydrophobicContact CB-CE2 3.82Å; L1530-F1538 HydrophobicContact CB-CG 4.27Å; L1530-F1538 HydrophobicContact CD1-CB 3.94Å; L1530-F1538 HydrophobicContact CD1-CD1 3.76Å; L1530-F1538 HydrophobicContact CD1-CD2 3.77Å; L1530-F1538 HydrophobicContact CD1-CE1 4.18Å; L1530-F1538 HydrophobicContact CD1-CE2 4.18Å; L1530-F1538 HydrophobicContact CD1-CG 3.52Å; L1530-F1538 HydrophobicContact CD1-CZ 4.37Å; L1530-F1538 HydrophobicContact CG-CD2 4.25Å; L1530-F1538 HydrophobicContact CG-CE2 4.42Å; L1530-F1538 HydrophobicContact CG-CG 4.47Å; P1534-F1538 PolarHBondContact O-N 3.14Å; P1535-F1538 PolarHBondContact O-N 3.2Å; F1538-E1540 VanDerWaalsContact C-N 3.32Å; F1538-E1540 PolarHBondContact O-N 3.05Å; F1538-I1541 PolarHBondContact O-N 3.31Å; F1538-F1542 HydrophobicContact CD1-CB 4.42Å; F1538-F1542 HydrophobicContact CE1-CB 4.11Å; F1538-F1542 HydrophobicContact CE1-CD2 4.34Å; F1538-F1542 HydrophobicContact CE1-CG 4.35Å; F1538-F1542 HydrophobicContact CZ-CB 4.46Å; F1538-F1542 HydrophobicContact CZ-CD2 4.2Å; F1538-F1542 VanDerWaalsContact O-CB 3.22Å; F1538-F1542 WeakPolarHBondContact O-CB 3.35Å; F1538-F1542 PolarHBondContact O-N 3.12Å |
| 1539 | A | 93.5 | Very high | 92.4 | Very high | 10.4 Ų | 10.4 | 44.5 Ų | 44.5 | 9% | 0.086 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.7 | -41.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | V1483 L1484 A1487 P1535 E1536 K1537 F1542 L1543 | V1483-A1539 HydrophobicContact CG2-CB 3.76Å; L1484-A1539 HydrophobicContact CD1-CB 4.41Å; A1487-A1539 HydrophobicContact CB-CB 4.21Å; P1535-A1539 WeakPolarHBondContact O-CB 3.36Å; P1535-A1539 PolarHBondContact O-N 3.09Å; E1536-A1539 WeakPolarHBondContact O-CB 3.14Å; E1536-A1539 PolarHBondContact O-N 3.01Å; K1537-A1539 VanDerWaalsContact C-N 3.32Å; K1537-A1539 PolarHBondContact O-N 3.06Å; A1539-F1542 PolarHBondContact O-N 3.14Å; A1539-L1543 WeakPolarHBondContact O-CB 3.47Å; A1539-L1543 WeakPolarHBondContact O-CG 3.37Å; A1539-L1543 PolarHBondContact O-N 3.02Å; A1539-L1543 VanDerWaalsContact O-N 3.14Å |
| 1540 | E | 93.5 | Very high | 92.4 | Very high | 120 Ų | 120 | 44.5 Ų | 44.5 | 56% | 0.561 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -59 | -52.1 | 174 | -171.4 | -172.7 | 164.8 | 0 | 0 | 111.4 | E1536 K1537 F1538 F1542 L1543 G1544 F1546 | E1536-E1540 PolarHBondContact O-N 3.1Å; E1536-E1540 VanDerWaalsContact O-N 3.11Å; K1537-E1540 WeakPolarHBondContact O-CB 3.42Å; K1537-E1540 PolarHBondContact O-N 3.21Å; F1538-E1540 VanDerWaalsContact C-N 3.32Å; F1538-E1540 PolarHBondContact O-N 3.05Å; E1540-F1542 PolarHBondContact O-N 3.13Å; E1540-L1543 PolarHBondContact O-N 3.1Å; E1540-G1544 PolarHBondContact O-N 2.99Å; E1540-F1546 HydrophobicContact CG-CZ 4.06Å; E1540-F1546 WeakPolarHBondContact O-CE2 3.4Å |
| 1541 | I | 92 | Very high | 92.3 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.9 | -45.7 | 178.4 | -64.4 | -158 | 0 | 0 | 0 | 111.9 | M1526 Y1529 K1537 F1538 L1543 G1544 F1546 A1551 W1553 | M1526-I1541 HydrophobicContact CE-CG2 3.88Å; M1526-I1541 HydrophobicContact SD-CG2 3.66Å; M1526-I1541 VanDerWaalsContact SD-CG2 3.58Å; Y1529-I1541 HydrophobicContact CD1-CD1 3.86Å; Y1529-I1541 HydrophobicContact CD1-CG1 4.38Å; Y1529-I1541 HydrophobicContact CD2-CD1 3.81Å; Y1529-I1541 HydrophobicContact CE1-CB 4.42Å; Y1529-I1541 HydrophobicContact CE1-CD1 3.38Å; Y1529-I1541 VanDerWaalsContact CE1-CD1 3.42Å; Y1529-I1541 HydrophobicContact CE1-CG1 3.83Å; Y1529-I1541 HydrophobicContact CE2-CD1 3.33Å; Y1529-I1541 HydrophobicContact CG-CD1 4.06Å; Y1529-I1541 WeakPolarHBondContact OH-CD1 3.38Å; K1537-I1541 WeakPolarHBondContact O-CG1 3.36Å; K1537-I1541 PolarHBondContact O-N 3.21Å; F1538-I1541 PolarHBondContact O-N 3.31Å; I1541-L1543 PolarHBondContact O-N 3.35Å; I1541-L1543 VanDerWaalsContact O-N 3.16Å; I1541-G1544 PolarHBondContact O-N 3.37Å; I1541-F1546 VanDerWaalsContact CA-CE2 3.43Å; I1541-F1546 HydrophobicContact CB-CD2 4.1Å; I1541-F1546 HydrophobicContact CB-CE2 4.22Å; I1541-F1546 HydrophobicContact CB-CG 4.44Å; I1541-F1546 HydrophobicContact CD1-CD1 4.18Å; I1541-F1546 HydrophobicContact CD1-CE1 4.43Å; I1541-F1546 HydrophobicContact CD1-CG 4.33Å; I1541-F1546 HydrophobicContact CG1-CD1 4.09Å; I1541-F1546 HydrophobicContact CG1-CD2 4.05Å; I1541-F1546 HydrophobicContact CG1-CE1 4.03Å; I1541-F1546 HydrophobicContact CG1-CE2 4.01Å; I1541-F1546 HydrophobicContact CG1-CG 4.1Å; I1541-F1546 HydrophobicContact CG1-CZ 3.99Å; I1541-F1546 HydrophobicContact CG2-CB 4.39Å; I1541-F1546 HydrophobicContact CG2-CD2 4Å; I1541-F1546 HydrophobicContact CG2-CG 4.2Å; I1541-A1551 HydrophobicContact CD1-CB 3.94Å; I1541-A1551 HydrophobicContact CG2-CB 4.32Å; I1541-W1553 HydrophobicContact CG2-CB 4.24Å; I1541-W1553 VanDerWaalsContact O-CD1 3.25Å |
| 1542 | F | 93 | Very high | 92.3 | Very high | 11.6 Ų | 11.6 | 42.1 Ų | 42.1 | 5% | 0.051 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.2 | -33 | -176.4 | -176.2 | -99.6 | 0 | 0 | 0 | 112.4 | L1476 V1483 L1522 M1526 F1538 A1539 E1540 W1553 R1558 M1561 | L1476-F1542 HydrophobicContact CD2-CE2 4.08Å; L1476-F1542 HydrophobicContact CD2-CZ 4.15Å; V1483-F1542 HydrophobicContact CG1-CD1 4.42Å; V1483-F1542 HydrophobicContact CG1-CE1 4.42Å; V1483-F1542 HydrophobicContact CG2-CD1 4.43Å; L1522-F1542 HydrophobicContact CD2-CE2 4.33Å; M1526-F1542 HydrophobicContact CE-CB 4.21Å; M1526-F1542 HydrophobicContact CE-CD2 4.1Å; F1538-F1542 HydrophobicContact CD1-CB 4.42Å; F1538-F1542 HydrophobicContact CE1-CB 4.11Å; F1538-F1542 HydrophobicContact CE1-CD2 4.34Å; F1538-F1542 HydrophobicContact CE1-CG 4.35Å; F1538-F1542 HydrophobicContact CZ-CB 4.46Å; F1538-F1542 HydrophobicContact CZ-CD2 4.2Å; F1538-F1542 VanDerWaalsContact O-CB 3.22Å; F1538-F1542 WeakPolarHBondContact O-CB 3.35Å; F1538-F1542 PolarHBondContact O-N 3.12Å; A1539-F1542 PolarHBondContact O-N 3.14Å; E1540-F1542 PolarHBondContact O-N 3.13Å; F1542-W1553 HydrophobicContact CD2-CZ2 4.14Å; F1542-W1553 AromaticContact CE2-CZ2 3.92Å; F1542-W1553 HydrophobicContact CE2-CZ2 3.92Å; F1542-W1553 PolarHBondContact O-NE1 2.85Å; F1542-R1558 HydrophobicContact CZ-CG 4.45Å; F1542-R1558 PolarHBondContact O-NE 3.12Å; F1542-R1558 PolarHBondContact O-NH2 2.98Å; F1542-M1561 HydrophobicContact CE2-CE 4.14Å; F1542-M1561 HydrophobicContact CZ-CE 4.04Å |
| 1543 | L | 91.3 | Very high | 92.6 | Very high | 58.4 Ų | 58.4 | 38.1 Ų | 38.1 | 31% | 0.306 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -91.1 | -26.1 | 179.2 | -67.3 | 179.8 | 0 | 0 | 0 | 114.6 | S1481 V1483 A1539 E1540 I1541 R1558 | S1481-L1543 VanDerWaalsContact O-CD1 3.32Å; S1481-L1543 WeakPolarHBondContact O-CD1 3.37Å; V1483-L1543 HydrophobicContact CG1-CD1 4.21Å; V1483-L1543 HydrophobicContact CG1-CD2 3.97Å; V1483-L1543 HydrophobicContact CG1-CG 4.33Å; V1483-L1543 HydrophobicContact CG2-CD1 3.74Å; V1483-L1543 HydrophobicContact CG2-CD2 4.16Å; V1483-L1543 HydrophobicContact CG2-CG 3.79Å; A1539-L1543 WeakPolarHBondContact O-CB 3.47Å; A1539-L1543 WeakPolarHBondContact O-CG 3.37Å; A1539-L1543 PolarHBondContact O-N 3.02Å; A1539-L1543 VanDerWaalsContact O-N 3.14Å; E1540-L1543 PolarHBondContact O-N 3.1Å; I1541-L1543 PolarHBondContact O-N 3.35Å; I1541-L1543 VanDerWaalsContact O-N 3.16Å; L1543-R1558 VanDerWaalsContact CA-NH2 3.32Å; L1543-R1558 VanDerWaalsContact O-CZ 3.27Å; L1543-R1558 PolarHBondContact O-NH1 3Å; L1543-R1558 PolarHBondContact O-NH2 3.14Å |
| 1544 | G | 89.8 | Confident | 92.6 | Very high | 22 Ų | 22 | 39.6 Ų | 39.6 | 23% | 0.227 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -90.9 | -173.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | E1540 I1541 R1558 | E1540-G1544 PolarHBondContact O-N 2.99Å; I1541-G1544 PolarHBondContact O-N 3.37Å; G1544-R1558 PolarHBondContact O-NH2 3.41Å |
| 1545 | D | 91.3 | Very high | 92.3 | Very high | 110.4 Ų | 110.4 | 39 Ų | 39 | 59% | 0.59 | 21% | 0.206 | S | C | * | . | trans | -113.1 | 109.5 | 173.7 | -64.3 | -45.5 | 0 | 0 | 0 | 108.4 | W1553 N1554 S1555 | D1545-W1553 CarbonylContact C-O 3.51Å; D1545-W1553 WeakPolarHBondContact CA-O 3.12Å; D1545-N1554 HydrophobicContact CB-CB 4.3Å; D1545-N1554 VanDerWaalsContact OD1-CA 3.26Å; D1545-N1554 WeakPolarHBondContact OD1-CA 3.34Å; D1545-N1554 VanDerWaalsContact OD1-CB 3.3Å; D1545-N1554 WeakPolarHBondContact OD1-CB 3.4Å; D1545-S1555 WeakPolarHBondContact OD1-CB 3.38Å; D1545-S1555 PolarHBondContact OD1-N 3.15Å; D1545-S1555 PolarHBondContact OD1-OG 3.15Å | ||
| 1546 | F | 92.1 | Very high | 92.2 | Very high | 58.8 Ų | 58.8 | 43.4 Ų | 43.4 | 26% | 0.258 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 130.1 | -175.5 | -72.5 | -96.2 | 0 | 0 | 0 | 110.1 | E1540 I1541 I1552 W1553 | E1540-F1546 HydrophobicContact CG-CZ 4.06Å; E1540-F1546 WeakPolarHBondContact O-CE2 3.4Å; I1541-F1546 VanDerWaalsContact CA-CE2 3.43Å; I1541-F1546 HydrophobicContact CB-CD2 4.1Å; I1541-F1546 HydrophobicContact CB-CE2 4.22Å; I1541-F1546 HydrophobicContact CB-CG 4.44Å; I1541-F1546 HydrophobicContact CD1-CD1 4.18Å; I1541-F1546 HydrophobicContact CD1-CE1 4.43Å; I1541-F1546 HydrophobicContact CD1-CG 4.33Å; I1541-F1546 HydrophobicContact CG1-CD1 4.09Å; I1541-F1546 HydrophobicContact CG1-CD2 4.05Å; I1541-F1546 HydrophobicContact CG1-CE1 4.03Å; I1541-F1546 HydrophobicContact CG1-CE2 4.01Å; I1541-F1546 HydrophobicContact CG1-CG 4.1Å; I1541-F1546 HydrophobicContact CG1-CZ 3.99Å; I1541-F1546 HydrophobicContact CG2-CB 4.39Å; I1541-F1546 HydrophobicContact CG2-CD2 4Å; I1541-F1546 HydrophobicContact CG2-CG 4.2Å; F1546-I1552 CarbonylContact O-C 3.52Å; F1546-I1552 WeakPolarHBondContact O-CA 3.37Å; F1546-W1553 PolarHBondContact N-O 3.19Å; F1546-W1553 PolarHBondContact O-N 3.1Å; F1546-W1553 VanDerWaalsContact O-O 3.13Å |
| 1547 | D | 91.1 | Very high | 92.1 | Very high | 78 Ų | 78 | 39.2 Ų | 39.2 | 42% | 0.417 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 82.7 | 178.2 | -171.3 | 28.3 | 0 | 0 | 0 | 108.5 | H1610 R1616 F1617 | D1547-H1610 IonicContact OD1-CD2 3.24Å; D1547-H1610 IonicContact OD1-CE1 3.16Å; D1547-H1610 IonicContact OD1-NE2 3.44Å; D1547-H1610 PolarHBondContact OD1-NE2 3.19Å; D1547-H1610 IonicContact OD2-NE2 3.7Å; D1547-R1616 IonicContact OD1-NH1 3.66Å; D1547-R1616 IonicContact OD2-CZ 3.21Å; D1547-R1616 VanDerWaalsContact OD2-CZ 3.27Å; D1547-R1616 IonicContact OD2-NH1 3.34Å; D1547-R1616 PolarHBondContact OD2-NH1 3.01Å; D1547-R1616 IonicContact OD2-NH2 3.85Å; D1547-R1616 PolarHBondContact OD2-NH2 2.79Å; D1547-F1617 WeakPolarHBondContact O-CZ 3.44Å |
| 1548 | S | 92 | Very high | 92 | Very high | 17.8 Ų | 17.8 | 36.5 Ų | 36.5 | 12% | 0.124 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -140.2 | 161.1 | -173.4 | 69.8 | 0 | 0 | 0 | 0 | 111.1 | E1550 A1551 | S1548-E1550 PolarHBondContact O-N 2.95Å; S1548-E1550 VanDerWaalsContact O-N 3.14Å; S1548-A1551 PolarHBondContact N-O 2.99Å; S1548-A1551 CarbonylContact O-C 3.48Å; S1548-A1551 PolarHBondContact O-N 3.05Å; S1548-A1551 VanDerWaalsContact O-O 3.11Å; S1548-A1551 PolarHBondContact OG-N 3.15Å; S1548-A1551 VanDerWaalsContact OG-N 3.11Å; S1548-A1551 PolarHBondContact OG-O 3.38Å |
| 1549 | P | 90.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -58.5 | -28 | 176.8 | -16.4 | 22.5 | 0 | 0 | 0 | 114.1 | Y1606 Y1607 H1610 L1611 F1617 W1620 | P1549-Y1606 HydrophobicContact CB-CD1 4.29Å; P1549-Y1606 CarbonylContact O-C 3.44Å; P1549-Y1606 VanDerWaalsContact O-CA 3.25Å; P1549-Y1606 WeakPolarHBondContact O-CA 3.34Å; P1549-Y1607 PolarHBondContact O-N 3.04Å; P1549-H1610 HydrophobicContact CB-CB 4.27Å; P1549-H1610 HydrophobicContact CG-CB 4.08Å; P1549-L1611 HydrophobicContact CB-CB 4.35Å; P1549-L1611 HydrophobicContact CB-CD1 4.4Å; P1549-F1617 HydrophobicContact CG-CB 4.21Å; P1549-F1617 HydrophobicContact CG-CD1 4.32Å; P1549-F1617 HydrophobicContact CG-CD2 4.09Å; P1549-F1617 HydrophobicContact CG-CG 3.93Å; P1549-W1620 HydrophobicContact CB-CD2 4.26Å; P1549-W1620 HydrophobicContact CB-CG 4.25Å; P1549-W1620 HydrophobicContact CG-CB 4.42Å; P1549-W1620 HydrophobicContact CG-CD2 3.69Å; P1549-W1620 HydrophobicContact CG-CE3 4.05Å; P1549-W1620 HydrophobicContact CG-CG 3.86Å; P1549-W1620 HydrophobicContact CG-CZ2 4.47Å |
| 1550 | E | 90.4 | Very high | 91.6 | Very high | 25.6 Ų | 25.6 | 46.4 Ų | 46.4 | 12% | 0.12 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -85.7 | -31.8 | 179.1 | -106.5 | -177.3 | -176.4 | 0 | 0 | 113 | Y1529 H1533 S1548 Y1606 W1620 R1623 | Y1529-E1550 HydrophobicContact CD2-CG 4.14Å; Y1529-E1550 HydrophobicContact CE2-CG 4.25Å; H1533-E1550 IonicContact CD2-OE1 3.57Å; H1533-E1550 IonicContact CE1-OE1 2.99Å; H1533-E1550 IonicContact CE1-OE2 3.78Å; H1533-E1550 IonicContact NE2-OE1 3.29Å; H1533-E1550 PolarHBondContact NE2-OE1 3.17Å; H1533-E1550 IonicContact NE2-OE2 3.16Å; H1533-E1550 PolarHBondContact NE2-OE2 3.43Å; S1548-E1550 PolarHBondContact O-N 2.95Å; S1548-E1550 VanDerWaalsContact O-N 3.14Å; E1550-Y1606 HydrophobicContact CG-CD1 3.84Å; E1550-Y1606 HydrophobicContact CG-CE1 3.5Å; E1550-Y1606 VanDerWaalsContact CG-CE1 3.45Å; E1550-W1620 HydrophobicContact CB-CZ2 4.24Å; E1550-W1620 HydrophobicContact CG-CZ2 4.25Å; E1550-R1623 VanDerWaalsContact CD-NH2 3.32Å; E1550-R1623 IonicContact OE1-CZ 3.21Å; E1550-R1623 IonicContact OE1-NE 3.62Å; E1550-R1623 PolarHBondContact OE1-NE 3.38Å; E1550-R1623 VanDerWaalsContact OE1-NE 3.17Å; E1550-R1623 IonicContact OE1-NH2 3.25Å; E1550-R1623 PolarHBondContact OE1-NH2 3.06Å; E1550-R1623 IonicContact OE2-CZ 3.09Å; E1550-R1623 IonicContact OE2-NH2 3.33Å; E1550-R1623 PolarHBondContact OE2-NH2 3.34Å |
| 1551 | A | 91 | Very high | 91.6 | Very high | 0.2 Ų | 0.2 | 40.7 Ų | 40.7 | 0% | 0.002 | 20% | 0.201 | C | C | . | . | trans | -150.4 | 127.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y1529 I1541 S1548 | Y1529-A1551 HydrophobicContact CD2-CB 4.31Å; I1541-A1551 HydrophobicContact CD1-CB 3.94Å; I1541-A1551 HydrophobicContact CG2-CB 4.32Å; S1548-A1551 PolarHBondContact N-O 2.99Å; S1548-A1551 CarbonylContact O-C 3.48Å; S1548-A1551 PolarHBondContact O-N 3.05Å; S1548-A1551 VanDerWaalsContact O-O 3.11Å; S1548-A1551 PolarHBondContact OG-N 3.15Å; S1548-A1551 VanDerWaalsContact OG-N 3.11Å; S1548-A1551 PolarHBondContact OG-O 3.38Å | ||
| 1552 | I | 92.4 | Very high | 91.5 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.051 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 106.3 | 168.4 | -58.4 | 165.3 | 0 | 0 | 0 | 105.7 | F1546 M1557 L1597 E1600 Y1607 H1610 | F1546-I1552 CarbonylContact O-C 3.52Å; F1546-I1552 WeakPolarHBondContact O-CA 3.37Å; I1552-M1557 HydrophobicContact CG2-SD 4.34Å; I1552-M1557 WeakPolarHBondContact O-CE 3.46Å; I1552-L1597 HydrophobicContact CB-CD2 3.91Å; I1552-L1597 HydrophobicContact CD1-CD2 4.02Å; I1552-L1597 HydrophobicContact CG2-CD2 3.87Å; I1552-E1600 HydrophobicContact CD1-CG 3.84Å; I1552-Y1607 HydrophobicContact CB-CD2 4.19Å; I1552-Y1607 HydrophobicContact CB-CE2 3.83Å; I1552-Y1607 HydrophobicContact CD1-CD1 4.03Å; I1552-Y1607 HydrophobicContact CD1-CD2 3.43Å; I1552-Y1607 VanDerWaalsContact CD1-CD2 3.45Å; I1552-Y1607 HydrophobicContact CD1-CE1 4.34Å; I1552-Y1607 HydrophobicContact CD1-CE2 3.8Å; I1552-Y1607 HydrophobicContact CD1-CG 3.54Å; I1552-Y1607 HydrophobicContact CG1-CD2 3.55Å; I1552-Y1607 HydrophobicContact CG1-CE2 3.73Å; I1552-Y1607 HydrophobicContact CG1-CG 4.19Å; I1552-H1610 VanDerWaalsContact CD1-CE1 3.42Å; I1552-H1610 WeakPolarHBondContact CD1-CE1 3.41Å; I1552-H1610 WeakPolarHBondContact CD1-ND1 3.35Å |
| 1553 | W | 94.9 | Very high | 91.2 | Very high | 0.2 Ų | 0.2 | 43.6 Ų | 43.6 | 0% | 0.001 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 127.6 | -179.1 | -176 | -101.7 | 0 | 0 | 0 | 109.8 | L1522 P1523 M1526 I1541 F1542 D1545 F1546 M1557 R1558 M1561 Y1594 | L1522-W1553 HydrophobicContact CD2-CH2 3.85Å; L1522-W1553 HydrophobicContact CD2-CZ2 4.36Å; L1522-W1553 HydrophobicContact CD2-CZ3 4.29Å; P1523-W1553 HydrophobicContact CG-CE3 4.22Å; P1523-W1553 HydrophobicContact CG-CZ3 4.05Å; M1526-W1553 HydrophobicContact CE-CB 4.41Å; M1526-W1553 HydrophobicContact CE-CD2 4.05Å; M1526-W1553 HydrophobicContact CE-CE3 4.49Å; M1526-W1553 HydrophobicContact CE-CG 3.9Å; M1526-W1553 HydrophobicContact CG-CB 4.47Å; M1526-W1553 HydrophobicContact CG-CD2 4.16Å; M1526-W1553 HydrophobicContact CG-CE3 3.92Å; M1526-W1553 HydrophobicContact CG-CG 4.43Å; M1526-W1553 HydrophobicContact CG-CZ3 4.42Å; M1526-W1553 HydrophobicContact SD-CB 3.72Å; M1526-W1553 HydrophobicContact SD-CD2 4.12Å; M1526-W1553 HydrophobicContact SD-CE3 4.38Å; M1526-W1553 HydrophobicContact SD-CG 3.81Å; I1541-W1553 HydrophobicContact CG2-CB 4.24Å; I1541-W1553 VanDerWaalsContact O-CD1 3.25Å; F1542-W1553 HydrophobicContact CD2-CZ2 4.14Å; F1542-W1553 AromaticContact CE2-CZ2 3.92Å; F1542-W1553 HydrophobicContact CE2-CZ2 3.92Å; F1542-W1553 PolarHBondContact O-NE1 2.85Å; D1545-W1553 CarbonylContact C-O 3.51Å; D1545-W1553 WeakPolarHBondContact CA-O 3.12Å; F1546-W1553 PolarHBondContact N-O 3.19Å; F1546-W1553 PolarHBondContact O-N 3.1Å; F1546-W1553 VanDerWaalsContact O-O 3.13Å; W1553-M1557 HydrophobicContact CE3-CB 4.03Å; W1553-M1557 HydrophobicContact CE3-CE 3.9Å; W1553-M1557 HydrophobicContact CE3-SD 4.45Å; W1553-M1557 HydrophobicContact CH2-CB 4.48Å; W1553-M1557 HydrophobicContact CZ3-CB 4.03Å; W1553-M1557 HydrophobicContact CZ3-CE 4.3Å; W1553-R1558 HydrophobicContact CH2-CB 4.5Å; W1553-R1558 HydrophobicContact CZ2-CB 3.75Å; W1553-R1558 HydrophobicContact CZ2-CG 4.11Å; W1553-M1561 HydrophobicContact CH2-CB 4.34Å; W1553-M1561 HydrophobicContact CH2-CE 4.47Å; W1553-M1561 HydrophobicContact CH2-SD 4.03Å; W1553-M1561 HydrophobicContact CZ2-SD 4.49Å; W1553-Y1594 HydrophobicContact CH2-CE1 4.39Å; W1553-Y1594 HydrophobicContact CZ3-CE1 4.11Å |
| 1554 | N | 92 | Very high | 90.9 | Very high | 43.2 Ų | 43.2 | 41.8 Ų | 41.8 | 23% | 0.231 | 21% | 0.21 | C | C | . | . | trans | -139.6 | 173 | -180 | 66.5 | 28.9 | 0 | 0 | 0 | 111.9 | D1545 E1556 M1557 R1558 | D1545-N1554 HydrophobicContact CB-CB 4.3Å; D1545-N1554 VanDerWaalsContact OD1-CA 3.26Å; D1545-N1554 WeakPolarHBondContact OD1-CA 3.34Å; D1545-N1554 VanDerWaalsContact OD1-CB 3.3Å; D1545-N1554 WeakPolarHBondContact OD1-CB 3.4Å; N1554-E1556 VanDerWaalsContact C-N 3.27Å; N1554-E1556 PolarHBondContact O-N 3.13Å; N1554-E1556 WeakPolarHBondContact OD1-CA 3.4Å; N1554-E1556 WeakPolarHBondContact OD1-CB 3.16Å; N1554-E1556 PolarHBondContact OD1-N 3.11Å; N1554-E1556 VanDerWaalsContact OD1-N 3.13Å; N1554-M1557 PolarHBondContact O-N 3.01Å; N1554-M1557 VanDerWaalsContact O-N 3.15Å; N1554-M1557 WeakPolarHBondContact OD1-CB 3.37Å; N1554-M1557 VanDerWaalsContact OD1-CG 3.27Å; N1554-M1557 WeakPolarHBondContact OD1-CG 3.33Å; N1554-M1557 PolarHBondContact OD1-N 3.16Å; N1554-R1558 PolarHBondContact O-N 3.02Å | ||
| 1555 | S | 89.6 | Confident | 90.9 | Very high | 46.8 Ų | 46.8 | 40.7 Ų | 40.7 | 33% | 0.327 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57.9 | -31.8 | 178.8 | 43.4 | 0 | 0 | 0 | 0 | 113.6 | D1545 R1559 | D1545-S1555 WeakPolarHBondContact OD1-CB 3.38Å; D1545-S1555 PolarHBondContact OD1-N 3.15Å; D1545-S1555 PolarHBondContact OD1-OG 3.15Å; S1555-R1559 VanDerWaalsContact O-CB 3.29Å; S1555-R1559 WeakPolarHBondContact O-CB 3.32Å; S1555-R1559 WeakPolarHBondContact O-CG 3.39Å; S1555-R1559 PolarHBondContact O-N 3.28Å; S1555-R1559 PolarHBondContact O-NE 3.03Å; S1555-R1559 PolarHBondContact OG-NH2 3.25Å |
| 1556 | E | 91.2 | Very high | 90.6 | Very high | 113.2 Ų | 113.2 | 37.3 Ų | 37.3 | 53% | 0.529 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -70.3 | -45.7 | 176.2 | -168.9 | -174.3 | -163.9 | 0 | 0 | 111.5 | N1554 R1558 R1559 Y1560 Q1596 | N1554-E1556 VanDerWaalsContact C-N 3.27Å; N1554-E1556 PolarHBondContact O-N 3.13Å; N1554-E1556 WeakPolarHBondContact OD1-CA 3.4Å; N1554-E1556 WeakPolarHBondContact OD1-CB 3.16Å; N1554-E1556 PolarHBondContact OD1-N 3.11Å; N1554-E1556 VanDerWaalsContact OD1-N 3.13Å; E1556-R1558 VanDerWaalsContact C-N 3.33Å; E1556-R1558 PolarHBondContact O-N 2.95Å; E1556-R1559 WeakPolarHBondContact O-CB 3.4Å; E1556-R1559 PolarHBondContact O-N 3.34Å; E1556-Y1560 WeakPolarHBondContact O-CB 3.39Å; E1556-Y1560 PolarHBondContact O-N 3.06Å; E1556-Q1596 PolarHBondContact OE2-NE2 3.08Å |
| 1557 | M | 93 | Very high | 90.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | 174.1 | -67.6 | 172.3 | 73 | 0 | 0 | 110.8 | P1523 I1552 W1553 N1554 R1559 Y1560 M1561 Y1594 Q1596 L1597 | P1523-M1557 HydrophobicContact CG-CE 4.02Å; I1552-M1557 HydrophobicContact CG2-SD 4.34Å; I1552-M1557 WeakPolarHBondContact O-CE 3.46Å; W1553-M1557 HydrophobicContact CE3-CB 4.03Å; W1553-M1557 HydrophobicContact CE3-CE 3.9Å; W1553-M1557 HydrophobicContact CE3-SD 4.45Å; W1553-M1557 HydrophobicContact CH2-CB 4.48Å; W1553-M1557 HydrophobicContact CZ3-CB 4.03Å; W1553-M1557 HydrophobicContact CZ3-CE 4.3Å; N1554-M1557 PolarHBondContact O-N 3.01Å; N1554-M1557 VanDerWaalsContact O-N 3.15Å; N1554-M1557 WeakPolarHBondContact OD1-CB 3.37Å; N1554-M1557 VanDerWaalsContact OD1-CG 3.27Å; N1554-M1557 WeakPolarHBondContact OD1-CG 3.33Å; N1554-M1557 PolarHBondContact OD1-N 3.16Å; M1557-R1559 VanDerWaalsContact C-N 3.34Å; M1557-R1559 PolarHBondContact O-N 3.11Å; M1557-Y1560 WeakPolarHBondContact O-CB 3.37Å; M1557-Y1560 PolarHBondContact O-N 3.09Å; M1557-M1561 PolarHBondContact O-N 3.02Å; M1557-Y1594 HydrophobicContact CB-CD1 3.9Å; M1557-Y1594 HydrophobicContact CB-CE1 4.04Å; M1557-Y1594 HydrophobicContact CE-CD1 3.97Å; M1557-Y1594 HydrophobicContact CE-CG 3.96Å; M1557-Y1594 HydrophobicContact CG-CD1 4.02Å; M1557-Y1594 WeakPolarHBondContact O-CE1 3.3Å; M1557-Q1596 HydrophobicContact CG-CB 4.13Å; M1557-Q1596 HydrophobicContact CG-CG 3.92Å; M1557-Q1596 HydrophobicContact SD-CB 4.02Å; M1557-Q1596 HydrophobicContact SD-CG 4.34Å; M1557-L1597 HydrophobicContact CE-CD1 3.77Å; M1557-L1597 HydrophobicContact CE-CD2 4.19Å; M1557-L1597 HydrophobicContact CE-CG 3.86Å |
| 1558 | R | 92.4 | Very high | 89.7 | Confident | 32 Ų | 32 | 35.7 Ų | 35.7 | 12% | 0.121 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.2 | -46.1 | 174.3 | -171.9 | -174.9 | -93.8 | 157.9 | 15.3 | 111.5 | Y1478 T1479 G1480 F1542 L1543 G1544 W1553 N1554 E1556 Y1560 M1561 I1562 | Y1478-R1558 PolarHBondContact O-NH2 3Å; T1479-R1558 PolarHBondContact O-NH2 3.2Å; G1480-R1558 PolarHBondContact O-NH2 3.3Å; F1542-R1558 HydrophobicContact CZ-CG 4.45Å; F1542-R1558 PolarHBondContact O-NE 3.12Å; F1542-R1558 PolarHBondContact O-NH2 2.98Å; L1543-R1558 VanDerWaalsContact CA-NH2 3.32Å; L1543-R1558 VanDerWaalsContact O-CZ 3.27Å; L1543-R1558 PolarHBondContact O-NH1 3Å; L1543-R1558 PolarHBondContact O-NH2 3.14Å; G1544-R1558 PolarHBondContact O-NH2 3.41Å; W1553-R1558 HydrophobicContact CH2-CB 4.5Å; W1553-R1558 HydrophobicContact CZ2-CB 3.75Å; W1553-R1558 HydrophobicContact CZ2-CG 4.11Å; N1554-R1558 PolarHBondContact O-N 3.02Å; E1556-R1558 VanDerWaalsContact C-N 3.33Å; E1556-R1558 PolarHBondContact O-N 2.95Å; R1558-Y1560 VanDerWaalsContact C-N 3.31Å; R1558-Y1560 PolarHBondContact O-N 3.19Å; R1558-M1561 HydrophobicContact CG-CE 4.5Å; R1558-M1561 WeakPolarHBondContact O-CB 3.34Å; R1558-M1561 PolarHBondContact O-N 3.03Å; R1558-I1562 HydrophobicContact CG-CD1 3.97Å; R1558-I1562 WeakPolarHBondContact O-CB 3.46Å; R1558-I1562 WeakPolarHBondContact O-CD1 3.38Å; R1558-I1562 VanDerWaalsContact O-CG1 3.3Å; R1558-I1562 WeakPolarHBondContact O-CG1 3.34Å; R1558-I1562 PolarHBondContact O-N 3.18Å |
| 1559 | R | 89.4 | Confident | 89.4 | Confident | 153.2 Ų | 153.2 | 34.9 Ų | 34.9 | 58% | 0.578 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -62.2 | -39.9 | 176.5 | -160.3 | -177.9 | -87.9 | 144.3 | -1.5 | 111.6 | S1555 E1556 M1557 I1562 S1563 | S1555-R1559 VanDerWaalsContact O-CB 3.29Å; S1555-R1559 WeakPolarHBondContact O-CB 3.32Å; S1555-R1559 WeakPolarHBondContact O-CG 3.39Å; S1555-R1559 PolarHBondContact O-N 3.28Å; S1555-R1559 PolarHBondContact O-NE 3.03Å; S1555-R1559 PolarHBondContact OG-NH2 3.25Å; E1556-R1559 WeakPolarHBondContact O-CB 3.4Å; E1556-R1559 PolarHBondContact O-N 3.34Å; M1557-R1559 VanDerWaalsContact C-N 3.34Å; M1557-R1559 PolarHBondContact O-N 3.11Å; R1559-I1562 PolarHBondContact O-N 3.27Å; R1559-S1563 VanDerWaalsContact O-CB 3.31Å; R1559-S1563 WeakPolarHBondContact O-CB 3.31Å; R1559-S1563 PolarHBondContact O-N 3.2Å |
| 1560 | Y | 90 | Very high | 88.9 | Confident | 69.6 Ų | 69.6 | 37.2 Ų | 37.2 | 27% | 0.273 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.2 | -47.1 | 176.3 | -170.5 | -104 | 0 | 0 | 0 | 111.2 | E1556 M1557 R1558 I1562 S1563 R1564 I1592 I1593 Y1594 | E1556-Y1560 WeakPolarHBondContact O-CB 3.39Å; E1556-Y1560 PolarHBondContact O-N 3.06Å; M1557-Y1560 WeakPolarHBondContact O-CB 3.37Å; M1557-Y1560 PolarHBondContact O-N 3.09Å; R1558-Y1560 VanDerWaalsContact C-N 3.31Å; R1558-Y1560 PolarHBondContact O-N 3.19Å; Y1560-I1562 PolarHBondContact O-N 2.98Å; Y1560-S1563 WeakPolarHBondContact O-CB 3.21Å; Y1560-S1563 PolarHBondContact O-N 3.26Å; Y1560-R1564 HydrophobicContact CD1-CG 4.28Å; Y1560-R1564 HydrophobicContact CE1-CG 4.04Å; Y1560-R1564 VanDerWaalsContact O-CG 3.24Å; Y1560-R1564 WeakPolarHBondContact O-CG 3.32Å; Y1560-R1564 PolarHBondContact O-N 3.24Å; Y1560-R1564 PolarHBondContact OH-NH1 3.1Å; Y1560-R1564 VanDerWaalsContact OH-NH1 3.17Å; Y1560-I1592 HydrophobicContact CD1-CG2 3.78Å; Y1560-I1592 HydrophobicContact CE1-CG2 3.68Å; Y1560-I1593 VanDerWaalsContact CE1-O 3.25Å; Y1560-I1593 WeakPolarHBondContact CE1-O 3.4Å; Y1560-I1593 PolarHBondContact OH-O 2.73Å; Y1560-Y1594 AromaticContact CD1-CD1 3.94Å; Y1560-Y1594 HydrophobicContact CD1-CD1 3.96Å; Y1560-Y1594 HydrophobicContact CD1-CE1 4.09Å |
| 1561 | M | 93.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.1 | -52.3 | 173.9 | -174.5 | -166.6 | 63.1 | 0 | 0 | 111.5 | L1476 L1522 F1542 W1553 M1557 R1558 S1563 R1564 I1565 I1592 Y1594 | L1476-M1561 HydrophobicContact CB-CE 4.04Å; L1476-M1561 HydrophobicContact CB-SD 4.33Å; L1476-M1561 HydrophobicContact CD1-SD 4.22Å; L1476-M1561 HydrophobicContact CD2-CE 4.35Å; L1476-M1561 HydrophobicContact CD2-SD 4.41Å; L1476-M1561 WeakPolarHBondContact O-CE 3.37Å; L1522-M1561 HydrophobicContact CD2-SD 3.52Å; L1522-M1561 VanDerWaalsContact CD2-SD 3.55Å; L1522-M1561 WeakPolarHBondContact CD2-SD 3.38Å; L1522-M1561 HydrophobicContact CG-SD 4.42Å; F1542-M1561 HydrophobicContact CE2-CE 4.14Å; F1542-M1561 HydrophobicContact CZ-CE 4.04Å; W1553-M1561 HydrophobicContact CH2-CB 4.34Å; W1553-M1561 HydrophobicContact CH2-CE 4.47Å; W1553-M1561 HydrophobicContact CH2-SD 4.03Å; W1553-M1561 HydrophobicContact CZ2-SD 4.49Å; M1557-M1561 PolarHBondContact O-N 3.02Å; R1558-M1561 HydrophobicContact CG-CE 4.5Å; R1558-M1561 WeakPolarHBondContact O-CB 3.34Å; R1558-M1561 PolarHBondContact O-N 3.03Å; M1561-S1563 VanDerWaalsContact C-N 3.32Å; M1561-S1563 PolarHBondContact O-N 3.17Å; M1561-R1564 PolarHBondContact O-N 3.12Å; M1561-R1564 VanDerWaalsContact O-N 3.16Å; M1561-I1565 HydrophobicContact CE-CD1 4.44Å; M1561-I1565 HydrophobicContact CG-CD1 3.84Å; M1561-I1565 HydrophobicContact CG-CG1 4.48Å; M1561-I1565 WeakPolarHBondContact O-CG1 3.33Å; M1561-I1565 PolarHBondContact O-N 3.15Å; M1561-I1565 HydrophobicContact SD-CD1 4.33Å; M1561-I1592 HydrophobicContact CB-CD1 4.39Å; M1561-I1592 HydrophobicContact CG-CD1 3.88Å; M1561-Y1594 HydrophobicContact CB-CE1 4.33Å; M1561-Y1594 VanDerWaalsContact CB-OH 3.3Å; M1561-Y1594 WeakPolarHBondContact CB-OH 3.43Å; M1561-Y1594 WeakPolarHBondContact CG-OH 3.39Å |
| 1562 | I | 90.6 | Very high | 88 | Confident | 22.2 Ų | 22.2 | 41.2 Ų | 41.2 | 11% | 0.114 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58 | -45.8 | 179.1 | -74.3 | 166.1 | 0 | 0 | 0 | 110.6 | L1477 T1479 R1558 R1559 Y1560 R1564 I1565 T1566 | L1477-I1562 HydrophobicContact CD1-CG2 3.95Å; T1479-I1562 HydrophobicContact CG2-CD1 3.91Å; R1558-I1562 HydrophobicContact CG-CD1 3.97Å; R1558-I1562 WeakPolarHBondContact O-CB 3.46Å; R1558-I1562 WeakPolarHBondContact O-CD1 3.38Å; R1558-I1562 VanDerWaalsContact O-CG1 3.3Å; R1558-I1562 WeakPolarHBondContact O-CG1 3.34Å; R1558-I1562 PolarHBondContact O-N 3.18Å; R1559-I1562 PolarHBondContact O-N 3.27Å; Y1560-I1562 PolarHBondContact O-N 2.98Å; I1562-R1564 VanDerWaalsContact C-N 3.32Å; I1562-R1564 PolarHBondContact O-N 3.15Å; I1562-I1565 PolarHBondContact O-N 3.02Å; I1562-T1566 VanDerWaalsContact O-CB 3.28Å; I1562-T1566 WeakPolarHBondContact O-CB 3.4Å; I1562-T1566 PolarHBondContact O-N 3.06Å; I1562-T1566 PolarHBondContact O-OG1 3.08Å |
| 1563 | S | 86.9 | Confident | 87.6 | Confident | 54 Ų | 54 | 41.9 Ų | 41.9 | 38% | 0.378 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.4 | -42.9 | 177.9 | -179.8 | 0 | 0 | 0 | 0 | 112.1 | R1559 Y1560 M1561 T1566 S1567 | R1559-S1563 VanDerWaalsContact O-CB 3.31Å; R1559-S1563 WeakPolarHBondContact O-CB 3.31Å; R1559-S1563 PolarHBondContact O-N 3.2Å; Y1560-S1563 WeakPolarHBondContact O-CB 3.21Å; Y1560-S1563 PolarHBondContact O-N 3.26Å; M1561-S1563 VanDerWaalsContact C-N 3.32Å; M1561-S1563 PolarHBondContact O-N 3.17Å; S1563-T1566 PolarHBondContact O-N 3.17Å; S1563-S1567 WeakPolarHBondContact O-CB 3.36Å; S1563-S1567 PolarHBondContact O-N 3.28Å; S1563-S1567 PolarHBondContact O-OG 3.06Å |
| 1564 | R | 85.6 | Confident | 87 | Confident | 20.4 Ų | 20.4 | 43.9 Ų | 43.9 | 8% | 0.077 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.8 | -42.2 | 178.9 | -65.3 | -71.4 | -68.9 | -120.7 | 1.5 | 112.1 | Y1560 M1561 I1562 S1567 H1568 M1589 I1592 E1669 R1673 | Y1560-R1564 HydrophobicContact CD1-CG 4.28Å; Y1560-R1564 HydrophobicContact CE1-CG 4.04Å; Y1560-R1564 VanDerWaalsContact O-CG 3.24Å; Y1560-R1564 WeakPolarHBondContact O-CG 3.32Å; Y1560-R1564 PolarHBondContact O-N 3.24Å; Y1560-R1564 PolarHBondContact OH-NH1 3.1Å; Y1560-R1564 VanDerWaalsContact OH-NH1 3.17Å; M1561-R1564 PolarHBondContact O-N 3.12Å; M1561-R1564 VanDerWaalsContact O-N 3.16Å; I1562-R1564 VanDerWaalsContact C-N 3.32Å; I1562-R1564 PolarHBondContact O-N 3.15Å; R1564-S1567 PolarHBondContact O-N 3.17Å; R1564-S1567 PolarHBondContact O-OG 3.34Å; R1564-H1568 PolarHBondContact O-N 3.31Å; R1564-M1589 VanDerWaalsContact C-CE 3.48Å; R1564-M1589 HydrophobicContact CB-CE 3.76Å; R1564-M1589 WeakPolarHBondContact O-CE 3.44Å; R1564-I1592 HydrophobicContact CB-CD1 3.85Å; R1564-I1592 HydrophobicContact CB-CG1 4.12Å; R1564-I1592 HydrophobicContact CG-CD1 4.39Å; R1564-I1592 HydrophobicContact CG-CG1 4.47Å; R1564-I1592 HydrophobicContact CG-CG2 4.32Å; R1564-E1669 IonicContact CZ-OE1 2.98Å; R1564-E1669 VanDerWaalsContact CZ-OE1 3.24Å; R1564-E1669 IonicContact NE-OE1 3.49Å; R1564-E1669 PolarHBondContact NE-OE1 3.14Å; R1564-E1669 IonicContact NH1-OE1 3.2Å; R1564-E1669 PolarHBondContact NH1-OE1 3.04Å; R1564-E1669 IonicContact NH1-OE2 2.87Å; R1564-E1669 PolarHBondContact NH1-OE2 3.45Å; R1564-E1669 IonicContact NH2-OE1 3.14Å; R1564-R1673 VanDerWaalsContact NH2-NH2 3.15Å |
| 1565 | I | 88.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.4 | -43.7 | 175 | -65.1 | 171.2 | 0 | 0 | 0 | 110.5 | L1476 L1477 M1521 M1561 I1562 S1567 H1568 L1569 M1589 I1592 | L1476-I1565 HydrophobicContact CB-CD1 3.73Å; L1476-I1565 HydrophobicContact CD1-CD1 4.42Å; L1477-I1565 HydrophobicContact CB-CG2 4.3Å; L1477-I1565 HydrophobicContact CD1-CB 4.3Å; L1477-I1565 HydrophobicContact CD1-CG2 4.31Å; M1521-I1565 HydrophobicContact CG-CD1 4.28Å; M1521-I1565 HydrophobicContact CG-CG1 4.37Å; M1521-I1565 HydrophobicContact SD-CD1 3.96Å; M1521-I1565 HydrophobicContact SD-CG1 4.29Å; M1561-I1565 HydrophobicContact CE-CD1 4.44Å; M1561-I1565 HydrophobicContact CG-CD1 3.84Å; M1561-I1565 HydrophobicContact CG-CG1 4.48Å; M1561-I1565 WeakPolarHBondContact O-CG1 3.33Å; M1561-I1565 PolarHBondContact O-N 3.15Å; M1561-I1565 HydrophobicContact SD-CD1 4.33Å; I1562-I1565 PolarHBondContact O-N 3.02Å; I1565-S1567 VanDerWaalsContact C-N 3.3Å; I1565-S1567 PolarHBondContact O-N 2.98Å; I1565-H1568 CarbonylContact O-C 3.51Å; I1565-H1568 WeakPolarHBondContact O-CA 3.4Å; I1565-H1568 WeakPolarHBondContact O-CB 3.23Å; I1565-H1568 PolarHBondContact O-N 3.24Å; I1565-H1568 VanDerWaalsContact O-N 3.09Å; I1565-L1569 HydrophobicContact CG2-CD1 3.99Å; I1565-L1569 HydrophobicContact CG2-CG 4.4Å; I1565-L1569 WeakPolarHBondContact O-CG 3.39Å; I1565-L1569 PolarHBondContact O-N 3.02Å; I1565-M1589 HydrophobicContact CG1-CE 4.06Å; I1565-M1589 HydrophobicContact CG1-SD 4Å; I1565-I1592 HydrophobicContact CG1-CD1 4.45Å |
| 1566 | T | 86.5 | Confident | 86.5 | Confident | 37.4 Ų | 37.4 | 42.1 Ų | 42.1 | 23% | 0.229 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.4 | -46 | 176.4 | -58.3 | 0 | 0 | 0 | 0 | 110.8 | T1177 F1179 L1477 I1562 S1563 H1568 L1569 A1570 | T1177-T1566 HydrophobicContact CG2-CG2 4.48Å; F1179-T1566 HydrophobicContact CD1-CG2 3.56Å; F1179-T1566 HydrophobicContact CE1-CG2 3.55Å; F1179-T1566 HydrophobicContact CG-CG2 4.31Å; F1179-T1566 HydrophobicContact CZ-CG2 4.5Å; L1477-T1566 VanDerWaalsContact CD1-OG1 3.25Å; L1477-T1566 WeakPolarHBondContact CD1-OG1 3.41Å; I1562-T1566 VanDerWaalsContact O-CB 3.28Å; I1562-T1566 WeakPolarHBondContact O-CB 3.4Å; I1562-T1566 PolarHBondContact O-N 3.06Å; I1562-T1566 PolarHBondContact O-OG1 3.08Å; S1563-T1566 PolarHBondContact O-N 3.17Å; T1566-H1568 VanDerWaalsContact C-N 3.28Å; T1566-H1568 PolarHBondContact O-N 3.21Å; T1566-L1569 CarbonylContact O-C 3.54Å; T1566-L1569 PolarHBondContact O-N 3.12Å; T1566-L1569 VanDerWaalsContact O-N 3.14Å; T1566-A1570 WeakPolarHBondContact O-CA 3.45Å; T1566-A1570 PolarHBondContact O-N 3.31Å |
| 1567 | S | 81.3 | Confident | 86.1 | Confident | 62.6 Ų | 62.6 | 40.7 Ų | 40.7 | 44% | 0.438 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.9 | -32.5 | 176.9 | -46.4 | 0 | 0 | 0 | 0 | 112.5 | S1563 R1564 I1565 L1569 A1570 R1673 | S1563-S1567 WeakPolarHBondContact O-CB 3.36Å; S1563-S1567 PolarHBondContact O-N 3.28Å; S1563-S1567 PolarHBondContact O-OG 3.06Å; R1564-S1567 PolarHBondContact O-N 3.17Å; R1564-S1567 PolarHBondContact O-OG 3.34Å; I1565-S1567 VanDerWaalsContact C-N 3.3Å; I1565-S1567 PolarHBondContact O-N 2.98Å; S1567-L1569 VanDerWaalsContact C-N 3.33Å; S1567-A1570 WeakPolarHBondContact O-CB 3.28Å; S1567-A1570 PolarHBondContact O-N 3.1Å; S1567-R1673 VanDerWaalsContact CB-NH1 3.27Å |
| 1568 | H | 82.8 | Confident | 85.7 | Confident | 41.8 Ų | 41.8 | 40.9 Ų | 40.9 | 19% | 0.194 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.5 | -32.7 | 174.8 | -179.3 | 72.7 | 0 | 0 | 0 | 112.5 | Y1473 R1564 I1565 T1566 Y1584 I1587 M1589 | Y1473-H1568 AromaticContact CE2-NE2 3.74Å; Y1473-H1568 AromaticContact CZ-NE2 3.91Å; R1564-H1568 PolarHBondContact O-N 3.31Å; I1565-H1568 CarbonylContact O-C 3.51Å; I1565-H1568 WeakPolarHBondContact O-CA 3.4Å; I1565-H1568 WeakPolarHBondContact O-CB 3.23Å; I1565-H1568 PolarHBondContact O-N 3.24Å; I1565-H1568 VanDerWaalsContact O-N 3.09Å; T1566-H1568 VanDerWaalsContact C-N 3.28Å; T1566-H1568 PolarHBondContact O-N 3.21Å; H1568-Y1584 PolarHBondContact NE2-OH 3.33Å; H1568-I1587 PolarHBondContact CE1-O 3.08Å; H1568-I1587 PolarHBondContact NE2-O 3.21Å; H1568-M1589 HydrophobicContact CB-CG 4.31Å; H1568-M1589 HydrophobicContact CB-SD 4.09Å |
| 1569 | L | 85.9 | Confident | 85.5 | Confident | 0.8 Ų | 0.8 | 39.4 Ų | 39.4 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -96.4 | 7.4 | 179.9 | -61.6 | -179.1 | 0 | 0 | 0 | 114 | L1439 Y1473 F1474 L1477 I1565 T1566 S1567 D1571 F1572 T1573 Y1584 | L1439-L1569 HydrophobicContact CD2-CD1 4.46Å; Y1473-L1569 HydrophobicContact CD2-CD2 4.38Å; F1474-L1569 HydrophobicContact CD1-CD1 3.66Å; F1474-L1569 HydrophobicContact CE1-CD1 3.72Å; F1474-L1569 HydrophobicContact CE1-CD2 4Å; L1477-L1569 HydrophobicContact CD2-CD1 4.1Å; I1565-L1569 HydrophobicContact CG2-CD1 3.99Å; I1565-L1569 HydrophobicContact CG2-CG 4.4Å; I1565-L1569 WeakPolarHBondContact O-CG 3.39Å; I1565-L1569 PolarHBondContact O-N 3.02Å; T1566-L1569 CarbonylContact O-C 3.54Å; T1566-L1569 PolarHBondContact O-N 3.12Å; T1566-L1569 VanDerWaalsContact O-N 3.14Å; S1567-L1569 VanDerWaalsContact C-N 3.33Å; L1569-D1571 VanDerWaalsContact C-N 3.27Å; L1569-D1571 PolarHBondContact O-N 3.25Å; L1569-D1571 VanDerWaalsContact O-N 3.14Å; L1569-F1572 PolarHBondContact O-N 3Å; L1569-T1573 PolarHBondContact O-N 3.21Å; L1569-T1573 VanDerWaalsContact O-N 3.12Å; L1569-T1573 PolarHBondContact O-OG1 3.06Å; L1569-Y1584 HydrophobicContact CD2-CD2 4.21Å; L1569-Y1584 HydrophobicContact CD2-CE2 3.42Å; L1569-Y1584 VanDerWaalsContact CD2-CE2 3.43Å |
| 1570 | A | 79.5 | Confident | 85.5 | Confident | 48 Ų | 48 | 33 Ų | 33 | 40% | 0.397 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -32.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T1566 S1567 F1572 P1574 | T1566-A1570 WeakPolarHBondContact O-CA 3.45Å; T1566-A1570 PolarHBondContact O-N 3.31Å; S1567-A1570 WeakPolarHBondContact O-CB 3.28Å; S1567-A1570 PolarHBondContact O-N 3.1Å; A1570-F1572 VanDerWaalsContact C-N 3.35Å; A1570-P1574 WeakPolarHBondContact O-CD 3.4Å; A1570-P1574 VanDerWaalsContact O-CG 3.28Å; A1570-P1574 WeakPolarHBondContact O-CG 3.35Å |
| 1571 | D | 76.6 | Confident | 85.4 | Confident | 98 Ų | 98 | 31.2 Ų | 31.2 | 52% | 0.524 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -23.8 | 177.6 | -54.7 | -24.2 | 0 | 0 | 0 | 112.9 | L1569 R1575 Y1677 | L1569-D1571 VanDerWaalsContact C-N 3.27Å; L1569-D1571 PolarHBondContact O-N 3.25Å; L1569-D1571 VanDerWaalsContact O-N 3.14Å; D1571-R1575 VanDerWaalsContact O-CB 3.29Å; D1571-R1575 WeakPolarHBondContact O-CB 3.17Å; D1571-R1575 WeakPolarHBondContact O-CD 3.38Å; D1571-R1575 WeakPolarHBondContact O-CG 3.22Å; D1571-Y1677 PolarHBondContact OD2-OH 3.25Å |
| 1572 | F | 86.4 | Confident | 85.3 | Confident | 11.4 Ų | 11.4 | 31.2 Ų | 31.2 | 5% | 0.05 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -44.3 | -172.3 | -179.1 | -111.5 | 0 | 0 | 0 | 113.5 | Q1436 L1439 F1474 L1569 A1570 P1574 R1575 L1576 A1582 Y1584 | Q1436-F1572 HydrophobicContact CG-CE1 4.15Å; Q1436-F1572 HydrophobicContact CG-CZ 4.1Å; Q1436-F1572 VanDerWaalsContact OE1-CZ 3.27Å; L1439-F1572 HydrophobicContact CD1-CD1 4.14Å; L1439-F1572 HydrophobicContact CD1-CE1 3.89Å; F1474-F1572 HydrophobicContact CE1-CD1 4.4Å; F1474-F1572 HydrophobicContact CE1-CE1 4.43Å; F1474-F1572 HydrophobicContact CZ-CD1 4.4Å; F1474-F1572 AromaticContact CZ-CE1 3.96Å; F1474-F1572 HydrophobicContact CZ-CE1 4.14Å; L1569-F1572 PolarHBondContact O-N 3Å; A1570-F1572 VanDerWaalsContact C-N 3.35Å; F1572-P1574 VanDerWaalsContact C-CD 3.49Å; F1572-R1575 CarbonylContact O-C 3.48Å; F1572-R1575 WeakPolarHBondContact O-CA 3.4Å; F1572-R1575 VanDerWaalsContact O-CB 3.25Å; F1572-R1575 WeakPolarHBondContact O-CB 3.37Å; F1572-R1575 PolarHBondContact O-N 3.19Å; F1572-R1575 VanDerWaalsContact O-N 3.13Å; F1572-L1576 HydrophobicContact CD1-CD1 4.31Å; F1572-L1576 HydrophobicContact CD1-CG 4.48Å; F1572-L1576 HydrophobicContact CE1-CB 4.28Å; F1572-L1576 HydrophobicContact CE1-CD1 3.63Å; F1572-L1576 HydrophobicContact CE1-CD2 4.24Å; F1572-L1576 HydrophobicContact CE1-CG 3.95Å; F1572-L1576 HydrophobicContact CE2-CB 4.33Å; F1572-L1576 HydrophobicContact CE2-CD2 4.39Å; F1572-L1576 HydrophobicContact CE2-CG 4.39Å; F1572-L1576 HydrophobicContact CZ-CB 4.02Å; F1572-L1576 HydrophobicContact CZ-CD1 4Å; F1572-L1576 HydrophobicContact CZ-CD2 3.83Å; F1572-L1576 HydrophobicContact CZ-CG 3.92Å; F1572-L1576 WeakPolarHBondContact O-CB 3.5Å; F1572-L1576 PolarHBondContact O-N 3.11Å; F1572-L1576 VanDerWaalsContact O-N 3.13Å; F1572-A1582 HydrophobicContact CE2-CB 4.07Å; F1572-A1582 WeakPolarHBondContact CZ-O 3.37Å; F1572-Y1584 HydrophobicContact CB-CD2 4.11Å; F1572-Y1584 AromaticContact CD1-CD2 3.74Å; F1572-Y1584 HydrophobicContact CD1-CD2 3.74Å; F1572-Y1584 HydrophobicContact CD1-CG 4.29Å; F1572-Y1584 HydrophobicContact CD2-CD2 4.25Å; F1572-Y1584 HydrophobicContact CE1-CD2 4.25Å; F1572-Y1584 HydrophobicContact CE1-CG 4.35Å; F1572-Y1584 VanDerWaalsContact CE2-N 3.33Å; F1572-Y1584 AromaticContact CG-CD2 3.75Å; F1572-Y1584 HydrophobicContact CG-CD2 3.75Å; F1572-Y1584 HydrophobicContact CG-CG 4.5Å |
| 1573 | T | 84.3 | Confident | 85.2 | Confident | 24.6 Ų | 24.6 | 32.7 Ų | 32.7 | 15% | 0.151 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59 | -44.2 | -176.1 | -51.5 | 0 | 0 | 0 | 0 | 113.5 | F1179 L1569 R1575 L1576 H1577 | F1179-T1573 HydrophobicContact CE1-CG2 4.5Å; F1179-T1573 HydrophobicContact CE2-CG2 4.43Å; F1179-T1573 HydrophobicContact CZ-CG2 3.81Å; L1569-T1573 PolarHBondContact O-N 3.21Å; L1569-T1573 VanDerWaalsContact O-N 3.12Å; L1569-T1573 PolarHBondContact O-OG1 3.06Å; T1573-R1575 VanDerWaalsContact C-N 3.28Å; T1573-R1575 PolarHBondContact O-N 3.24Å; T1573-L1576 PolarHBondContact O-N 3.23Å; T1573-H1577 PolarHBondContact O-CE1 3.41Å; T1573-H1577 PolarHBondContact O-N 3.47Å; T1573-H1577 VanDerWaalsContact O-N 3.08Å; T1573-H1577 PolarHBondContact O-ND1 3.09Å; T1573-H1577 VanDerWaalsContact O-ND1 3.12Å |
| 1574 | P | 80.6 | Confident | 85.3 | Confident | 42.2 Ų | 42.2 | 31.1 Ų | 31.1 | 27% | 0.274 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.5 | -33.1 | 174.8 | -12.8 | 22.7 | 0 | 0 | 0 | 112.6 | G1196 Q1200 A1570 F1572 L1576 H1577 S1578 | G1196-P1574 WeakPolarHBondContact CA-O 3.26Å; Q1200-P1574 HydrophobicContact CG-CB 4.16Å; A1570-P1574 WeakPolarHBondContact O-CD 3.4Å; A1570-P1574 VanDerWaalsContact O-CG 3.28Å; A1570-P1574 WeakPolarHBondContact O-CG 3.35Å; F1572-P1574 VanDerWaalsContact C-CD 3.49Å; P1574-L1576 VanDerWaalsContact C-N 3.29Å; P1574-L1576 PolarHBondContact O-N 3.35Å; P1574-H1577 WeakPolarHBondContact O-CB 3.32Å; P1574-H1577 PolarHBondContact O-N 3.2Å; P1574-H1577 VanDerWaalsContact O-N 3.14Å; P1574-S1578 PolarHBondContact O-N 3.04Å |
| 1575 | R | 85.3 | Confident | 85.3 | Confident | 46 Ų | 46 | 35.8 Ų | 35.8 | 17% | 0.174 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.7 | -37.7 | 179 | -137.5 | 179.7 | 135.4 | -154.5 | -3.4 | 112 | Q1200 E1202 Q1254 D1571 F1572 T1573 H1577 S1578 N1579 A1582 | Q1200-R1575 HydrophobicContact CG-CB 4.47Å; Q1200-R1575 HydrophobicContact CG-CG 4.32Å; E1202-R1575 VanDerWaalsContact CD-NE 3.27Å; E1202-R1575 VanDerWaalsContact OE1-CB 3.23Å; E1202-R1575 WeakPolarHBondContact OE1-CB 3.15Å; E1202-R1575 WeakPolarHBondContact OE1-CD 3.3Å; E1202-R1575 VanDerWaalsContact OE1-CG 3.29Å; E1202-R1575 WeakPolarHBondContact OE1-CG 3.34Å; E1202-R1575 IonicContact OE1-CZ 3.1Å; E1202-R1575 VanDerWaalsContact OE1-CZ 3.22Å; E1202-R1575 IonicContact OE1-NE 3.4Å; E1202-R1575 PolarHBondContact OE1-NE 2.92Å; E1202-R1575 IonicContact OE1-NH2 3.26Å; E1202-R1575 PolarHBondContact OE1-NH2 3Å; E1202-R1575 IonicContact OE2-CZ 3.53Å; E1202-R1575 VanDerWaalsContact OE2-CZ 3.25Å; E1202-R1575 IonicContact OE2-NE 3.3Å; E1202-R1575 PolarHBondContact OE2-NE 3.22Å; E1202-R1575 IonicContact OE2-NH2 3.4Å; E1202-R1575 PolarHBondContact OE2-NH2 3.05Å; Q1254-R1575 VanDerWaalsContact OE1-CZ 3.26Å; D1571-R1575 VanDerWaalsContact O-CB 3.29Å; D1571-R1575 WeakPolarHBondContact O-CB 3.17Å; D1571-R1575 WeakPolarHBondContact O-CD 3.38Å; D1571-R1575 WeakPolarHBondContact O-CG 3.22Å; F1572-R1575 CarbonylContact O-C 3.48Å; F1572-R1575 WeakPolarHBondContact O-CA 3.4Å; F1572-R1575 VanDerWaalsContact O-CB 3.25Å; F1572-R1575 WeakPolarHBondContact O-CB 3.37Å; F1572-R1575 PolarHBondContact O-N 3.19Å; F1572-R1575 VanDerWaalsContact O-N 3.13Å; T1573-R1575 VanDerWaalsContact C-N 3.28Å; T1573-R1575 PolarHBondContact O-N 3.24Å; R1575-H1577 VanDerWaalsContact C-N 3.31Å; R1575-H1577 PolarHBondContact O-N 3.14Å; R1575-S1578 CarbonylContact O-C 3.54Å; R1575-S1578 WeakPolarHBondContact O-CA 3.47Å; R1575-S1578 WeakPolarHBondContact O-CB 3.5Å; R1575-S1578 PolarHBondContact O-N 3.16Å; R1575-S1578 VanDerWaalsContact O-N 3.16Å; R1575-S1578 PolarHBondContact O-OG 2.82Å; R1575-N1579 PolarHBondContact O-N 3.08Å; R1575-A1582 HydrophobicContact CB-CB 4.28Å; R1575-A1582 HydrophobicContact CG-CB 4.11Å |
| 1576 | L | 87.5 | Confident | 85.2 | Confident | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.7 | -29.9 | 176.3 | -89.3 | 159.4 | 0 | 0 | 0 | 113.4 | Q1436 L1439 F1572 T1573 P1574 S1578 N1579 I1580 A1582 | Q1436-L1576 HydrophobicContact CB-CD1 4.44Å; Q1436-L1576 HydrophobicContact CB-CD2 4.14Å; Q1436-L1576 HydrophobicContact CG-CD2 4.41Å; L1439-L1576 HydrophobicContact CB-CD1 4.32Å; L1439-L1576 HydrophobicContact CD1-CD1 3.59Å; L1439-L1576 HydrophobicContact CD1-CD2 3.84Å; F1572-L1576 HydrophobicContact CD1-CD1 4.31Å; F1572-L1576 HydrophobicContact CD1-CG 4.48Å; F1572-L1576 HydrophobicContact CE1-CB 4.28Å; F1572-L1576 HydrophobicContact CE1-CD1 3.63Å; F1572-L1576 HydrophobicContact CE1-CD2 4.24Å; F1572-L1576 HydrophobicContact CE1-CG 3.95Å; F1572-L1576 HydrophobicContact CE2-CB 4.33Å; F1572-L1576 HydrophobicContact CE2-CD2 4.39Å; F1572-L1576 HydrophobicContact CE2-CG 4.39Å; F1572-L1576 HydrophobicContact CZ-CB 4.02Å; F1572-L1576 HydrophobicContact CZ-CD1 4Å; F1572-L1576 HydrophobicContact CZ-CD2 3.83Å; F1572-L1576 HydrophobicContact CZ-CG 3.92Å; F1572-L1576 WeakPolarHBondContact O-CB 3.5Å; F1572-L1576 PolarHBondContact O-N 3.11Å; F1572-L1576 VanDerWaalsContact O-N 3.13Å; T1573-L1576 PolarHBondContact O-N 3.23Å; P1574-L1576 VanDerWaalsContact C-N 3.29Å; P1574-L1576 PolarHBondContact O-N 3.35Å; L1576-S1578 VanDerWaalsContact C-N 3.32Å; L1576-S1578 PolarHBondContact O-N 3.25Å; L1576-N1579 WeakPolarHBondContact CA-O 3.17Å; L1576-N1579 CarbonylContact O-C 3.5Å; L1576-N1579 PolarHBondContact O-N 2.85Å; L1576-N1579 VanDerWaalsContact O-O 3.14Å; L1576-I1580 WeakPolarHBondContact O-CA 3.39Å; L1576-I1580 PolarHBondContact O-N 3.31Å; L1576-A1582 HydrophobicContact CD2-CB 4.33Å |
| 1577 | H | 82 | Confident | 84.9 | Confident | 84.8 Ų | 84.8 | 37.8 Ų | 37.8 | 39% | 0.393 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -74.3 | -26.9 | 175.6 | -73.7 | 88.2 | 0 | 0 | 0 | 112.1 | H1169 A1197 T1573 P1574 R1575 | H1169-H1577 PolarHBondContact O-CD2 2.75Å; A1197-H1577 HydrophobicContact CB-CB 4.42Å; T1573-H1577 PolarHBondContact O-CE1 3.41Å; T1573-H1577 PolarHBondContact O-N 3.47Å; T1573-H1577 VanDerWaalsContact O-N 3.08Å; T1573-H1577 PolarHBondContact O-ND1 3.09Å; T1573-H1577 VanDerWaalsContact O-ND1 3.12Å; P1574-H1577 WeakPolarHBondContact O-CB 3.32Å; P1574-H1577 PolarHBondContact O-N 3.2Å; P1574-H1577 VanDerWaalsContact O-N 3.14Å; R1575-H1577 VanDerWaalsContact C-N 3.31Å; R1575-H1577 PolarHBondContact O-N 3.14Å |
| 1578 | S | 84.6 | Confident | 84.6 | Confident | 3.4 Ų | 3.4 | 36.6 Ų | 36.6 | 2% | 0.024 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -84.2 | -42.5 | 174 | 150.9 | 0 | 0 | 0 | 0 | 111.7 | Q1200 W1203 F1233 Q1329 P1574 R1575 L1576 | Q1200-S1578 PolarHBondContact O-OG 3.16Å; W1203-S1578 WeakPolarHBondContact CZ2-O 3.34Å; W1203-S1578 PolarHBondContact NE1-O 3.01Å; F1233-S1578 WeakPolarHBondContact CB-O 3.41Å; Q1329-S1578 PolarHBondContact NE2-O 3.26Å; P1574-S1578 PolarHBondContact O-N 3.04Å; R1575-S1578 CarbonylContact O-C 3.54Å; R1575-S1578 WeakPolarHBondContact O-CA 3.47Å; R1575-S1578 WeakPolarHBondContact O-CB 3.5Å; R1575-S1578 PolarHBondContact O-N 3.16Å; R1575-S1578 VanDerWaalsContact O-N 3.16Å; R1575-S1578 PolarHBondContact O-OG 2.82Å; L1576-S1578 VanDerWaalsContact C-N 3.32Å; L1576-S1578 PolarHBondContact O-N 3.25Å |
| 1579 | N | 88.9 | Confident | 84.5 | Confident | 0.2 Ų | 0.2 | 34.8 Ų | 34.8 | 0% | 0.001 | 18% | 0.182 | C | C | . | . | trans | -134.4 | 102.1 | -179 | 172.6 | 13.2 | 0 | 0 | 0 | 109.5 | E1202 W1203 Q1254 R1575 L1576 R1581 A1582 | E1202-N1579 HydrophobicContact CG-CB 4.35Å; E1202-N1579 WeakPolarHBondContact OE1-CB 3.38Å; W1203-N1579 HydrophobicContact CZ2-CB 4.12Å; Q1254-N1579 PolarHBondContact O-ND2 3.11Å; R1575-N1579 PolarHBondContact O-N 3.08Å; L1576-N1579 WeakPolarHBondContact CA-O 3.17Å; L1576-N1579 CarbonylContact O-C 3.5Å; L1576-N1579 PolarHBondContact O-N 2.85Å; L1576-N1579 VanDerWaalsContact O-O 3.14Å; N1579-R1581 PolarHBondContact O-N 3Å; N1579-R1581 VanDerWaalsContact O-N 3.09Å; N1579-R1581 WeakPolarHBondContact OD1-CA 3.25Å; N1579-R1581 WeakPolarHBondContact OD1-CB 3.35Å; N1579-R1581 PolarHBondContact OD1-N 3.13Å; N1579-R1581 VanDerWaalsContact OD1-N 3.1Å; N1579-A1582 HydrophobicContact CB-CB 4.35Å; N1579-A1582 PolarHBondContact ND2-N 3.13Å; N1579-A1582 VanDerWaalsContact O-CB 3.32Å; N1579-A1582 WeakPolarHBondContact O-CB 3.39Å; N1579-A1582 PolarHBondContact O-N 3.01Å; N1579-A1582 VanDerWaalsContact O-N 3.1Å; N1579-A1582 PolarHBondContact OD1-N 2.92Å | ||
| 1580 | I | 88.1 | Confident | 83.9 | Confident | 20.2 Ų | 20.2 | 35.3 Ų | 35.3 | 10% | 0.104 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -11.8 | -178.1 | 69.4 | -179.2 | 0 | 0 | 0 | 113.3 | C1166 L1167 H1169 L1170 Q1329 L1576 | C1166-I1580 HydrophobicContact CB-CB 4.19Å; C1166-I1580 HydrophobicContact CB-CD1 3.84Å; C1166-I1580 HydrophobicContact CB-CG1 3.98Å; L1167-I1580 HydrophobicContact CD2-CD1 3.97Å; L1167-I1580 HydrophobicContact CG-CD1 4.48Å; H1169-I1580 HydrophobicContact CB-CB 4.36Å; H1169-I1580 HydrophobicContact CB-CG2 3.86Å; L1170-I1580 HydrophobicContact CD1-CG2 4.11Å; L1170-I1580 HydrophobicContact CD2-CG2 3.78Å; L1170-I1580 HydrophobicContact CG-CG2 3.79Å; Q1329-I1580 HydrophobicContact CB-CD1 3.68Å; Q1329-I1580 HydrophobicContact CB-CG1 4.08Å; Q1329-I1580 HydrophobicContact CG-CD1 4.16Å; Q1329-I1580 HydrophobicContact CG-CG1 4.3Å; Q1329-I1580 HydrophobicContact CG-CG2 4.43Å; Q1329-I1580 VanDerWaalsContact OE1-N 3.1Å; L1576-I1580 WeakPolarHBondContact O-CA 3.39Å; L1576-I1580 PolarHBondContact O-N 3.31Å |
| 1581 | R | 88.8 | Confident | 84 | Confident | 30.8 Ų | 30.8 | 35.2 Ų | 35.2 | 12% | 0.116 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 7.7 | 176.4 | -86.5 | -64.9 | -150.5 | -167.8 | -5.9 | 112.8 | D1163 C1166 Q1254 G1255 L1256 N1429 H1433 N1579 I1583 | D1163-R1581 IonicContact OD1-CZ 3.08Å; D1163-R1581 VanDerWaalsContact OD1-CZ 3.24Å; D1163-R1581 IonicContact OD1-NE 2.8Å; D1163-R1581 PolarHBondContact OD1-NE 3.17Å; D1163-R1581 IonicContact OD1-NH1 2.92Å; D1163-R1581 PolarHBondContact OD1-NH1 2.89Å; D1163-R1581 IonicContact OD1-NH2 2.78Å; D1163-R1581 PolarHBondContact OD1-NH2 3.11Å; D1163-R1581 IonicContact OD2-NH2 3.12Å; C1166-R1581 PolarHBondContact SG-NH1 2.98Å; Q1254-R1581 CarbonylContact O-C 3.48Å; Q1254-R1581 VanDerWaalsContact O-O 3.1Å; G1255-R1581 WeakPolarHBondContact CA-O 3.27Å; G1255-R1581 WeakPolarHBondContact O-CG 3.47Å; L1256-R1581 HydrophobicContact CD2-CB 4.38Å; L1256-R1581 HydrophobicContact CD2-CG 4.39Å; N1429-R1581 PolarHBondContact O-NH1 2.92Å; N1429-R1581 PolarHBondContact O-NH2 3.38Å; H1433-R1581 PolarHBondContact CD2-NE 2.77Å; H1433-R1581 PolarHBondContact CD2-NH1 3.2Å; H1433-R1581 PolarHBondContact CD2-NH2 3.43Å; H1433-R1581 VanDerWaalsContact CE1-CD 3.5Å; H1433-R1581 WeakPolarHBondContact CE1-CD 3.34Å; H1433-R1581 PolarHBondContact CE1-NE 3.48Å; H1433-R1581 VanDerWaalsContact CE1-NE 3.27Å; H1433-R1581 PolarHBondContact CE1-O 2.97Å; H1433-R1581 VanDerWaalsContact CE1-O 3.25Å; H1433-R1581 PolarHBondContact ND1-NE 3.07Å; H1433-R1581 PolarHBondContact NE2-NE 2.89Å; H1433-R1581 VanDerWaalsContact NE2-NE 3.11Å; H1433-R1581 PolarHBondContact NE2-NH1 3.21Å; H1433-R1581 PolarHBondContact NE2-NH2 3.42Å; N1579-R1581 PolarHBondContact O-N 3Å; N1579-R1581 VanDerWaalsContact O-N 3.09Å; N1579-R1581 WeakPolarHBondContact OD1-CA 3.25Å; N1579-R1581 WeakPolarHBondContact OD1-CB 3.35Å; N1579-R1581 PolarHBondContact OD1-N 3.13Å; N1579-R1581 VanDerWaalsContact OD1-N 3.1Å; R1581-I1583 PolarHBondContact O-N 3.07Å |
| 1582 | A | 89.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -60 | 132.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q1436 F1572 R1575 L1576 N1579 | Q1436-A1582 PolarHBondContact NE2-O 3.11Å; Q1436-A1582 PolarHBondContact OE1-O 3.11Å; F1572-A1582 HydrophobicContact CE2-CB 4.07Å; F1572-A1582 WeakPolarHBondContact CZ-O 3.37Å; R1575-A1582 HydrophobicContact CB-CB 4.28Å; R1575-A1582 HydrophobicContact CG-CB 4.11Å; L1576-A1582 HydrophobicContact CD2-CB 4.33Å; N1579-A1582 HydrophobicContact CB-CB 4.35Å; N1579-A1582 PolarHBondContact ND2-N 3.13Å; N1579-A1582 VanDerWaalsContact O-CB 3.32Å; N1579-A1582 WeakPolarHBondContact O-CB 3.39Å; N1579-A1582 PolarHBondContact O-N 3.01Å; N1579-A1582 VanDerWaalsContact O-N 3.1Å; N1579-A1582 PolarHBondContact OD1-N 2.92Å |
| 1583 | I | 89.4 | Confident | 84.2 | Confident | 55 Ų | 55 | 31.4 Ų | 31.4 | 28% | 0.282 | 16% | 0.158 | S | C | . | . | P | Polyproline II helix | trans | -99.2 | 126.9 | 179.5 | -61.3 | 172.7 | 0 | 0 | 0 | 109.2 | P1432 H1433 R1581 R1585 | P1432-I1583 HydrophobicContact CB-CG1 4.4Å; P1432-I1583 HydrophobicContact CB-CG2 4.25Å; P1432-I1583 HydrophobicContact CG-CG2 4.13Å; H1433-I1583 VanDerWaalsContact CE1-CG1 3.46Å; H1433-I1583 WeakPolarHBondContact CE1-CG1 3.38Å; R1581-I1583 PolarHBondContact O-N 3.07Å; I1583-R1585 PolarHBondContact O-N 3.21Å |
| 1584 | Y | 89.8 | Confident | 84.3 | Confident | 19.4 Ų | 19.4 | 30.6 Ų | 30.6 | 8% | 0.076 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 131.5 | 173 | 178.5 | -111.2 | 0 | 0 | 0 | 110.9 | T1469 Y1473 F1474 H1568 L1569 F1572 F1586 | T1469-Y1584 WeakPolarHBondContact O-CD1 3.49Å; Y1473-Y1584 HydrophobicContact CD2-CE1 4.16Å; Y1473-Y1584 AromaticContact CD2-CZ 3.94Å; Y1473-Y1584 WeakPolarHBondContact CD2-OH 3.31Å; Y1473-Y1584 HydrophobicContact CE2-CE1 4.37Å; Y1473-Y1584 WeakPolarHBondContact CE2-OH 3.33Å; F1474-Y1584 HydrophobicContact CE1-CD1 4.49Å; F1474-Y1584 HydrophobicContact CE1-CD2 4.47Å; F1474-Y1584 HydrophobicContact CE1-CG 4.42Å; F1474-Y1584 AromaticContact CZ-CD1 3.88Å; F1474-Y1584 HydrophobicContact CZ-CD1 3.92Å; F1474-Y1584 HydrophobicContact CZ-CD2 4.24Å; F1474-Y1584 HydrophobicContact CZ-CE1 4.46Å; F1474-Y1584 AromaticContact CZ-CG 3.75Å; F1474-Y1584 HydrophobicContact CZ-CG 3.75Å; H1568-Y1584 PolarHBondContact NE2-OH 3.33Å; L1569-Y1584 HydrophobicContact CD2-CD2 4.21Å; L1569-Y1584 HydrophobicContact CD2-CE2 3.42Å; L1569-Y1584 VanDerWaalsContact CD2-CE2 3.43Å; F1572-Y1584 HydrophobicContact CB-CD2 4.11Å; F1572-Y1584 AromaticContact CD1-CD2 3.74Å; F1572-Y1584 HydrophobicContact CD1-CD2 3.74Å; F1572-Y1584 HydrophobicContact CD1-CG 4.29Å; F1572-Y1584 HydrophobicContact CD2-CD2 4.25Å; F1572-Y1584 HydrophobicContact CE1-CD2 4.25Å; F1572-Y1584 HydrophobicContact CE1-CG 4.35Å; F1572-Y1584 VanDerWaalsContact CE2-N 3.33Å; F1572-Y1584 AromaticContact CG-CD2 3.75Å; F1572-Y1584 HydrophobicContact CG-CD2 3.75Å; F1572-Y1584 HydrophobicContact CG-CG 4.5Å; Y1584-F1586 HydrophobicContact CE1-CB 4.25Å; Y1584-F1586 HydrophobicContact CE1-CD2 4.39Å |
| 1585 | R | 85.6 | Confident | 84.4 | Confident | 120 Ų | 120 | 31.6 Ų | 31.6 | 45% | 0.453 | 16% | 0.159 | S | C | . | . | trans | -102.4 | 113.9 | 173.9 | -175.3 | 175.6 | -175.7 | 138.3 | 7.1 | 108.8 | I1583 I1587 | I1583-R1585 PolarHBondContact O-N 3.21Å; R1585-I1587 PolarHBondContact O-N 3.1Å | ||
| 1586 | F | 86 | Confident | 84.5 | Confident | 45.6 Ų | 45.6 | 31.8 Ų | 31.8 | 20% | 0.2 | 16% | 0.161 | C | C | . | . | trans | -61.9 | 133.1 | -177.9 | 178.8 | -94.4 | 0 | 0 | 0 | 113 | Y1467 L1468 Y1473 I1517 Y1584 | Y1467-F1586 HydrophobicContact CD2-CD1 4.32Å; Y1467-F1586 HydrophobicContact CD2-CD2 4.31Å; Y1467-F1586 AromaticContact CD2-CE1 3.81Å; Y1467-F1586 HydrophobicContact CD2-CE1 3.94Å; Y1467-F1586 AromaticContact CD2-CE2 3.76Å; Y1467-F1586 HydrophobicContact CD2-CE2 3.76Å; Y1467-F1586 HydrophobicContact CD2-CG 4.48Å; Y1467-F1586 AromaticContact CD2-CZ 3.56Å; Y1467-F1586 HydrophobicContact CD2-CZ 3.56Å; Y1467-F1586 HydrophobicContact CE2-CD1 4.2Å; Y1467-F1586 AromaticContact CE2-CE1 3.66Å; Y1467-F1586 HydrophobicContact CE2-CE1 3.66Å; Y1467-F1586 HydrophobicContact CE2-CE2 4.34Å; Y1467-F1586 AromaticContact CE2-CZ 3.74Å; Y1467-F1586 HydrophobicContact CE2-CZ 3.74Å; Y1467-F1586 VanDerWaalsContact O-CD2 3.24Å; Y1467-F1586 WeakPolarHBondContact O-CD2 3.36Å; Y1467-F1586 WeakPolarHBondContact O-CE2 3.29Å; L1468-F1586 HydrophobicContact CB-CB 4.39Å; L1468-F1586 HydrophobicContact CD2-CB 4.15Å; L1468-F1586 HydrophobicContact CD2-CD1 3.65Å; L1468-F1586 HydrophobicContact CD2-CD2 4.49Å; L1468-F1586 HydrophobicContact CD2-CE1 4.27Å; L1468-F1586 HydrophobicContact CD2-CG 3.95Å; L1468-F1586 VanDerWaalsContact O-CB 3.29Å; L1468-F1586 WeakPolarHBondContact O-CB 3.28Å; Y1473-F1586 AromaticContact CE2-CD2 3.9Å; Y1473-F1586 HydrophobicContact CE2-CD2 3.96Å; Y1473-F1586 AromaticContact CE2-CE2 3.73Å; Y1473-F1586 HydrophobicContact CE2-CE2 3.73Å; Y1473-F1586 AromaticContact CZ-CE2 3.88Å; Y1473-F1586 WeakPolarHBondContact OH-CE2 3.37Å; I1517-F1586 HydrophobicContact CD1-CE2 4.26Å; I1517-F1586 HydrophobicContact CD1-CZ 4.12Å; Y1584-F1586 HydrophobicContact CE1-CB 4.25Å; Y1584-F1586 HydrophobicContact CE1-CD2 4.39Å | ||
| 1587 | I | 79.4 | Confident | 84.5 | Confident | 33.8 Ų | 33.8 | 32.8 Ų | 32.8 | 17% | 0.173 | 17% | 0.167 | C | C | . | . | trans | -136.4 | 135.8 | 170 | -63.7 | 172.7 | 0 | 0 | 0 | 106.8 | Y1473 H1568 R1585 M1589 Y1677 M1681 | Y1473-I1587 PolarHBondContact OH-O 2.86Å; Y1473-I1587 VanDerWaalsContact OH-O 3.08Å; H1568-I1587 PolarHBondContact CE1-O 3.08Å; H1568-I1587 PolarHBondContact NE2-O 3.21Å; R1585-I1587 PolarHBondContact O-N 3.1Å; I1587-M1589 PolarHBondContact O-N 2.92Å; I1587-Y1677 HydrophobicContact CD1-CD2 3.39Å; I1587-Y1677 VanDerWaalsContact CD1-CD2 3.43Å; I1587-Y1677 HydrophobicContact CD1-CE2 3.12Å; I1587-Y1677 HydrophobicContact CD1-CG 4.39Å; I1587-M1681 HydrophobicContact CD1-SD 4.3Å | ||
| 1588 | G | 76.3 | Confident | 84.3 | Confident | 36.4 Ų | 36.4 | 34.2 Ų | 34.2 | 38% | 0.375 | 17% | 0.173 | S | C | . | . | P | Polyproline II helix | trans | -64.1 | 122.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1589 | M | 78.8 | Confident | 84.1 | Confident | 3.4 Ų | 3.4 | 39 Ų | 39 | 2% | 0.017 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -78.6 | 135.8 | 171.9 | -169.6 | 175.8 | 139.7 | 0 | 0 | 110.2 | Y1473 N1520 M1521 R1564 I1565 H1568 I1587 I1592 | Y1473-M1589 HydrophobicContact CD1-SD 4.42Å; Y1473-M1589 HydrophobicContact CE1-CB 3.9Å; Y1473-M1589 HydrophobicContact CE1-SD 4.31Å; Y1473-M1589 PolarHBondContact OH-N 3.31Å; Y1473-M1589 VanDerWaalsContact OH-N 3.1Å; N1520-M1589 WeakPolarHBondContact CB-O 3.38Å; N1520-M1589 PolarHBondContact ND2-O 3.22Å; M1521-M1589 HydrophobicContact CB-CE 4.4Å; M1521-M1589 HydrophobicContact CG-CE 3.84Å; M1521-M1589 HydrophobicContact CG-SD 4.18Å; M1521-M1589 HydrophobicContact SD-CE 4.33Å; R1564-M1589 VanDerWaalsContact C-CE 3.48Å; R1564-M1589 HydrophobicContact CB-CE 3.76Å; R1564-M1589 WeakPolarHBondContact O-CE 3.44Å; I1565-M1589 HydrophobicContact CG1-CE 4.06Å; I1565-M1589 HydrophobicContact CG1-SD 4Å; H1568-M1589 HydrophobicContact CB-CG 4.31Å; H1568-M1589 HydrophobicContact CB-SD 4.09Å; I1587-M1589 PolarHBondContact O-N 2.92Å; M1589-I1592 HydrophobicContact CE-CD1 3.49Å; M1589-I1592 VanDerWaalsContact CE-CD1 3.46Å; M1589-I1592 HydrophobicContact CE-CG1 3.56Å; M1589-I1592 VanDerWaalsContact CE-CG1 3.45Å; M1589-I1592 HydrophobicContact SD-CD1 4.44Å |
| 1590 | P | 74.2 | Confident | 84 | Confident | 12.2 Ų | 12.2 | 39.9 Ų | 39.9 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -66.5 | 160.3 | 172.7 | 4.6 | 1.1 | 0 | 0 | 0 | 111.7 | I1592 Y1702 C1706 | P1590-I1592 PolarHBondContact O-N 3.13Å; P1590-Y1702 HydrophobicContact CB-CE1 4.15Å; P1590-Y1702 WeakPolarHBondContact CD-OH 3.41Å; P1590-Y1702 HydrophobicContact CG-CD1 4.06Å; P1590-Y1702 HydrophobicContact CG-CE1 3.36Å; P1590-Y1702 HydrophobicContact CG-CE2 4.46Å; P1590-Y1702 VanDerWaalsContact CG-CZ 3.48Å; P1590-Y1702 VanDerWaalsContact CG-OH 3.27Å; P1590-Y1702 WeakPolarHBondContact CG-OH 3.35Å; P1590-C1706 HydrophobicContact CB-CB 4.26Å; P1590-C1706 HydrophobicContact CG-CB 4.36Å |
| 1591 | I | 81 | Confident | 84.1 | Confident | 45 Ų | 45 | 39.8 Ų | 39.8 | 23% | 0.231 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -58.3 | 130.3 | 177.2 | -60 | 168.7 | 0 | 0 | 0 | 110 | T1505 N1520 I1593 | T1505-I1591 HydrophobicContact CG2-CD1 4.18Å; N1520-I1591 HydrophobicContact CB-CG1 4.47Å; N1520-I1591 CarbonylContact O-C 3.45Å; N1520-I1591 WeakPolarHBondContact O-CA 3.42Å; N1520-I1591 VanDerWaalsContact OD1-CG1 3.31Å; N1520-I1591 WeakPolarHBondContact OD1-CG1 3.17Å; I1591-I1593 PolarHBondContact O-N 3.44Å |
| 1592 | I | 84.9 | Confident | 84.2 | Confident | 7.8 Ų | 7.8 | 40.6 Ų | 40.6 | 4% | 0.04 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -77.2 | 120.6 | 170.8 | -59.9 | 176.7 | 0 | 0 | 0 | 108.4 | N1520 M1521 Y1560 M1561 R1564 I1565 M1589 P1590 Y1594 | N1520-I1592 WeakPolarHBondContact O-CG1 3.3Å; N1520-I1592 PolarHBondContact O-N 3.1Å; M1521-I1592 HydrophobicContact CB-CD1 4.33Å; M1521-I1592 HydrophobicContact CG-CD1 4.46Å; Y1560-I1592 HydrophobicContact CD1-CG2 3.78Å; Y1560-I1592 HydrophobicContact CE1-CG2 3.68Å; M1561-I1592 HydrophobicContact CB-CD1 4.39Å; M1561-I1592 HydrophobicContact CG-CD1 3.88Å; R1564-I1592 HydrophobicContact CB-CD1 3.85Å; R1564-I1592 HydrophobicContact CB-CG1 4.12Å; R1564-I1592 HydrophobicContact CG-CD1 4.39Å; R1564-I1592 HydrophobicContact CG-CG1 4.47Å; R1564-I1592 HydrophobicContact CG-CG2 4.32Å; I1565-I1592 HydrophobicContact CG1-CD1 4.45Å; M1589-I1592 HydrophobicContact CE-CD1 3.49Å; M1589-I1592 VanDerWaalsContact CE-CD1 3.46Å; M1589-I1592 HydrophobicContact CE-CG1 3.56Å; M1589-I1592 VanDerWaalsContact CE-CG1 3.45Å; M1589-I1592 HydrophobicContact SD-CD1 4.44Å; P1590-I1592 PolarHBondContact O-N 3.13Å; I1592-Y1594 HydrophobicContact CB-CE2 3.98Å; I1592-Y1594 HydrophobicContact CG2-CD1 4.41Å; I1592-Y1594 HydrophobicContact CG2-CD2 4.14Å; I1592-Y1594 HydrophobicContact CG2-CE1 3.96Å; I1592-Y1594 HydrophobicContact CG2-CE2 3.65Å; I1592-Y1594 HydrophobicContact CG2-CG 4.48Å; I1592-Y1594 WeakPolarHBondContact O-CD2 3.4Å; I1592-Y1594 WeakPolarHBondContact O-CE2 3.11Å |
| 1593 | I | 82.2 | Confident | 84.3 | Confident | 22.8 Ų | 22.8 | 40.8 Ų | 40.8 | 12% | 0.117 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -98.2 | 120 | 174.3 | -57.7 | 175 | 0 | 0 | 0 | 108 | Y1560 I1591 P1595 C1706 N1707 S1709 K1710 | Y1560-I1593 VanDerWaalsContact CE1-O 3.25Å; Y1560-I1593 WeakPolarHBondContact CE1-O 3.4Å; Y1560-I1593 PolarHBondContact OH-O 2.73Å; I1591-I1593 PolarHBondContact O-N 3.44Å; I1593-P1595 WeakPolarHBondContact O-CD 3.32Å; I1593-C1706 WeakPolarHBondContact CD1-O 3.31Å; I1593-N1707 HydrophobicContact CD1-CB 4.14Å; I1593-N1707 WeakPolarHBondContact CD1-OD1 3.34Å; I1593-S1709 WeakPolarHBondContact CD1-OG 3.28Å; I1593-K1710 HydrophobicContact CD1-CB 4.4Å; I1593-K1710 HydrophobicContact CD1-CD 4.33Å; I1593-K1710 HydrophobicContact CD1-CG 4.09Å; I1593-K1710 HydrophobicContact CG1-CD 4.36Å; I1593-K1710 HydrophobicContact CG1-CG 4.44Å |
| 1594 | Y | 88 | Confident | 84.2 | Confident | 7.8 Ų | 7.8 | 40.4 Ų | 40.4 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -91.8 | 120 | -178.1 | -67 | -87.5 | 0 | 0 | 0 | 110 | M1521 P1523 W1553 M1557 Y1560 M1561 I1592 Q1596 L1597 | M1521-Y1594 WeakPolarHBondContact O-CE2 3.38Å; M1521-Y1594 PolarHBondContact O-OH 3.1Å; P1523-Y1594 HydrophobicContact CG-CD2 3.79Å; P1523-Y1594 HydrophobicContact CG-CE2 3.65Å; P1523-Y1594 HydrophobicContact CG-CG 4.48Å; W1553-Y1594 HydrophobicContact CH2-CE1 4.39Å; W1553-Y1594 HydrophobicContact CZ3-CE1 4.11Å; M1557-Y1594 HydrophobicContact CB-CD1 3.9Å; M1557-Y1594 HydrophobicContact CB-CE1 4.04Å; M1557-Y1594 HydrophobicContact CE-CD1 3.97Å; M1557-Y1594 HydrophobicContact CE-CG 3.96Å; M1557-Y1594 HydrophobicContact CG-CD1 4.02Å; M1557-Y1594 WeakPolarHBondContact O-CE1 3.3Å; Y1560-Y1594 AromaticContact CD1-CD1 3.94Å; Y1560-Y1594 HydrophobicContact CD1-CD1 3.96Å; Y1560-Y1594 HydrophobicContact CD1-CE1 4.09Å; M1561-Y1594 HydrophobicContact CB-CE1 4.33Å; M1561-Y1594 VanDerWaalsContact CB-OH 3.3Å; M1561-Y1594 WeakPolarHBondContact CB-OH 3.43Å; M1561-Y1594 WeakPolarHBondContact CG-OH 3.39Å; I1592-Y1594 HydrophobicContact CB-CE2 3.98Å; I1592-Y1594 HydrophobicContact CG2-CD1 4.41Å; I1592-Y1594 HydrophobicContact CG2-CD2 4.14Å; I1592-Y1594 HydrophobicContact CG2-CE1 3.96Å; I1592-Y1594 HydrophobicContact CG2-CE2 3.65Å; I1592-Y1594 HydrophobicContact CG2-CG 4.48Å; I1592-Y1594 WeakPolarHBondContact O-CD2 3.4Å; I1592-Y1594 WeakPolarHBondContact O-CE2 3.11Å; Y1594-Q1596 PolarHBondContact O-N 3.21Å; Y1594-Q1596 VanDerWaalsContact O-N 3.15Å; Y1594-L1597 HydrophobicContact CD2-CD1 4.42Å; Y1594-L1597 HydrophobicContact CG-CD1 4.48Å; Y1594-L1597 PolarHBondContact O-N 3.18Å |
| 1595 | P | 82.7 | Confident | 84.3 | Confident | 63.6 Ų | 63.6 | 41.4 Ų | 41.4 | 41% | 0.413 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -54.4 | -34.2 | 176.5 | -27.6 | 35.7 | 0 | 0 | 0 | 113.2 | I1593 L1597 E1598 | I1593-P1595 WeakPolarHBondContact O-CD 3.32Å; P1595-L1597 PolarHBondContact O-N 3.21Å; P1595-L1597 VanDerWaalsContact O-N 3.11Å; P1595-E1598 VanDerWaalsContact O-CB 3.3Å; P1595-E1598 WeakPolarHBondContact O-CB 3.17Å; P1595-E1598 VanDerWaalsContact O-CG 3.31Å; P1595-E1598 WeakPolarHBondContact O-CG 3.42Å; P1595-E1598 PolarHBondContact O-N 3.06Å |
| 1596 | Q | 86.4 | Confident | 84.7 | Confident | 48.8 Ų | 48.8 | 35.9 Ų | 35.9 | 23% | 0.228 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -64.1 | -18.2 | 178.6 | -61.4 | 82.2 | -1.4 | 0 | 0 | 113.4 | E1556 M1557 Y1594 | E1556-Q1596 PolarHBondContact OE2-NE2 3.08Å; M1557-Q1596 HydrophobicContact CG-CB 4.13Å; M1557-Q1596 HydrophobicContact CG-CG 3.92Å; M1557-Q1596 HydrophobicContact SD-CB 4.02Å; M1557-Q1596 HydrophobicContact SD-CG 4.34Å; Y1594-Q1596 PolarHBondContact O-N 3.21Å; Y1594-Q1596 VanDerWaalsContact O-N 3.15Å |
| 1597 | L | 87 | Confident | 85.1 | Confident | 28.2 Ų | 28.2 | 34 Ų | 34 | 15% | 0.148 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -108.9 | 8.8 | -178.2 | -57.9 | -179.1 | 0 | 0 | 0 | 113 | P1523 I1552 M1557 Y1594 P1595 N1599 E1600 Y1607 | P1523-L1597 HydrophobicContact CB-CD1 3.76Å; P1523-L1597 HydrophobicContact CG-CD1 3.81Å; I1552-L1597 HydrophobicContact CB-CD2 3.91Å; I1552-L1597 HydrophobicContact CD1-CD2 4.02Å; I1552-L1597 HydrophobicContact CG2-CD2 3.87Å; M1557-L1597 HydrophobicContact CE-CD1 3.77Å; M1557-L1597 HydrophobicContact CE-CD2 4.19Å; M1557-L1597 HydrophobicContact CE-CG 3.86Å; Y1594-L1597 HydrophobicContact CD2-CD1 4.42Å; Y1594-L1597 HydrophobicContact CG-CD1 4.48Å; Y1594-L1597 PolarHBondContact O-N 3.18Å; P1595-L1597 PolarHBondContact O-N 3.21Å; P1595-L1597 VanDerWaalsContact O-N 3.11Å; L1597-N1599 VanDerWaalsContact C-N 3.27Å; L1597-N1599 PolarHBondContact O-N 3.36Å; L1597-E1600 HydrophobicContact CB-CB 4.36Å; L1597-E1600 HydrophobicContact CB-CG 4.39Å; L1597-E1600 HydrophobicContact CD2-CB 4.4Å; L1597-E1600 HydrophobicContact CD2-CG 4.05Å; L1597-E1600 WeakPolarHBondContact O-CB 3.33Å; L1597-E1600 PolarHBondContact O-N 3.26Å; L1597-E1600 VanDerWaalsContact O-N 3.11Å; L1597-Y1607 HydrophobicContact CD1-CE1 4.44Å; L1597-Y1607 WeakPolarHBondContact CD1-OH 3.45Å; L1597-Y1607 HydrophobicContact CD2-CE1 3.95Å; L1597-Y1607 HydrophobicContact CD2-CE2 4.47Å |
| 1598 | E | 79 | Confident | 85.8 | Confident | 114.4 Ų | 114.4 | 32.4 Ų | 32.4 | 54% | 0.535 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -30.8 | -178.8 | -75 | -179.2 | 176.5 | 0 | 0 | 112.8 | P1595 E1600 | P1595-E1598 VanDerWaalsContact O-CB 3.3Å; P1595-E1598 WeakPolarHBondContact O-CB 3.17Å; P1595-E1598 VanDerWaalsContact O-CG 3.31Å; P1595-E1598 WeakPolarHBondContact O-CG 3.42Å; P1595-E1598 PolarHBondContact O-N 3.06Å; E1598-E1600 PolarHBondContact O-N 2.86Å; E1598-E1600 VanDerWaalsContact O-N 3.16Å |
| 1599 | N | 79.6 | Confident | 86.6 | Confident | 104 Ų | 104 | 35.4 Ų | 35.4 | 56% | 0.556 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 12.8 | 179.5 | -61.4 | -34.6 | 0 | 0 | 0 | 113.3 | L1597 R1609 L1718 | L1597-N1599 VanDerWaalsContact C-N 3.27Å; L1597-N1599 PolarHBondContact O-N 3.36Å; N1599-R1609 WeakPolarHBondContact O-CD 3.37Å; N1599-R1609 PolarHBondContact O-NE 3.06Å; N1599-L1718 HydrophobicContact CB-CD2 4.12Å |
| 1600 | E | 87.4 | Confident | 87.2 | Confident | 18 Ų | 18 | 35.6 Ų | 35.6 | 8% | 0.084 | 18% | 0.175 | C | C | . | . | trans | -96.7 | 141.6 | 177.5 | -73.3 | -59.1 | 156.8 | 0 | 0 | 112.4 | I1552 L1597 E1598 Y1607 R1609 H1610 | I1552-E1600 HydrophobicContact CD1-CG 3.84Å; L1597-E1600 HydrophobicContact CB-CB 4.36Å; L1597-E1600 HydrophobicContact CB-CG 4.39Å; L1597-E1600 HydrophobicContact CD2-CB 4.4Å; L1597-E1600 HydrophobicContact CD2-CG 4.05Å; L1597-E1600 WeakPolarHBondContact O-CB 3.33Å; L1597-E1600 PolarHBondContact O-N 3.26Å; L1597-E1600 VanDerWaalsContact O-N 3.11Å; E1598-E1600 PolarHBondContact O-N 2.86Å; E1598-E1600 VanDerWaalsContact O-N 3.16Å; E1600-Y1607 HydrophobicContact CB-CD1 3.73Å; E1600-Y1607 HydrophobicContact CB-CE1 4.01Å; E1600-Y1607 HydrophobicContact CG-CD1 3.98Å; E1600-Y1607 HydrophobicContact CG-CE1 4.35Å; E1600-Y1607 HydrophobicContact CG-CG 4.49Å; E1600-Y1607 WeakPolarHBondContact OE2-CB 3.37Å; E1600-R1609 WeakPolarHBondContact OE1-CB 3.4Å; E1600-R1609 IonicContact OE1-CZ 3.24Å; E1600-R1609 IonicContact OE1-NE 3.11Å; E1600-R1609 PolarHBondContact OE1-NE 3.15Å; E1600-R1609 IonicContact OE1-NH2 3.32Å; E1600-R1609 PolarHBondContact OE1-NH2 3.13Å; E1600-R1609 VanDerWaalsContact OE2-CB 3.29Å; E1600-R1609 WeakPolarHBondContact OE2-CB 3.39Å; E1600-R1609 PolarHBondContact OE2-N 3.39Å; E1600-R1609 IonicContact OE2-NE 3.45Å; E1600-H1610 IonicContact OE1-CE1 3.23Å; E1600-H1610 PolarHBondContact OE1-CE1 3.21Å; E1600-H1610 IonicContact OE1-CG 3.09Å; E1600-H1610 IonicContact OE1-ND1 3.41Å; E1600-H1610 PolarHBondContact OE1-ND1 3.43Å; E1600-H1610 IonicContact OE2-CE1 2.86Å; E1600-H1610 IonicContact OE2-ND1 3.13Å; E1600-H1610 PolarHBondContact OE2-ND1 2.64Å; E1600-H1610 VanDerWaalsContact OE2-ND1 3.16Å | ||
| 1601 | L | 89.9 | Confident | 88.2 | Confident | 19 Ų | 19 | 35 Ų | 35 | 10% | 0.099 | 17% | 0.172 | C | C | . | . | trans | -120.1 | 110.4 | 170.5 | 178.5 | 61.5 | 0 | 0 | 0 | 108.9 | Y1607 L1608 T1635 H1719 L1722 M1723 | L1601-Y1607 CarbonylContact O-C 3.52Å; L1601-Y1607 WeakPolarHBondContact O-CA 3.44Å; L1601-L1608 HydrophobicContact CB-CB 4.46Å; L1601-L1608 HydrophobicContact CD2-CD1 3.84Å; L1601-L1608 HydrophobicContact CD2-CG 4.5Å; L1601-L1608 HydrophobicContact CG-CD1 4.16Å; L1601-L1608 HydrophobicContact CG-CG 4.47Å; L1601-L1608 WeakPolarHBondContact O-CG 3.32Å; L1601-L1608 PolarHBondContact O-N 3.27Å; L1601-T1635 HydrophobicContact CD1-CG2 4.38Å; L1601-H1719 HydrophobicContact CD2-CB 3.86Å; L1601-L1722 HydrophobicContact CB-CD1 4.18Å; L1601-L1722 HydrophobicContact CD2-CB 4.48Å; L1601-M1723 HydrophobicContact CD1-CE 4.2Å; L1601-M1723 HydrophobicContact CD2-CE 4.04Å; L1601-M1723 VanDerWaalsContact CD2-CE 3.43Å; L1601-M1723 HydrophobicContact CD2-CG 3.65Å; L1601-M1723 HydrophobicContact CD2-SD 4.06Å; L1601-M1723 HydrophobicContact CG-CE 4.39Å | ||
| 1602 | F | 91.3 | Very high | 88.7 | Confident | 46.4 Ų | 46.4 | 33.8 Ų | 33.8 | 20% | 0.204 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 123.8 | 178 | -173.2 | -103.5 | 0 | 0 | 0 | 110.8 | D1524 A1525 A1528 Y1606 Y1607 | D1524-F1602 HydrophobicContact CB-CD1 3.48Å; D1524-F1602 VanDerWaalsContact CB-CD1 3.47Å; D1524-F1602 HydrophobicContact CB-CE1 3.66Å; D1524-F1602 HydrophobicContact CB-CG 4.29Å; A1525-F1602 VanDerWaalsContact CA-CE2 3.48Å; A1525-F1602 HydrophobicContact CB-CD2 3.87Å; A1525-F1602 HydrophobicContact CB-CE2 3.42Å; A1525-F1602 VanDerWaalsContact CB-CE2 3.42Å; A1525-F1602 HydrophobicContact CB-CZ 3.88Å; A1528-F1602 HydrophobicContact CB-CE1 4.34Å; A1528-F1602 HydrophobicContact CB-CZ 3.91Å; F1602-Y1606 CarbonylContact C-O 3.5Å; F1602-Y1606 WeakPolarHBondContact CA-O 3.32Å; F1602-Y1607 HydrophobicContact CB-CD1 3.96Å; F1602-Y1607 HydrophobicContact CB-CE1 3.86Å; F1602-Y1607 AromaticContact CD2-CD1 3.9Å; F1602-Y1607 HydrophobicContact CD2-CD1 3.9Å; F1602-Y1607 HydrophobicContact CD2-CD2 4.19Å; F1602-Y1607 AromaticContact CD2-CE1 3.89Å; F1602-Y1607 HydrophobicContact CD2-CE1 3.89Å; F1602-Y1607 HydrophobicContact CD2-CE2 4.17Å; F1602-Y1607 HydrophobicContact CD2-CG 4.08Å; F1602-Y1607 HydrophobicContact CG-CD1 4.43Å; F1602-Y1607 HydrophobicContact CG-CE1 4.26Å |
| 1603 | C | 91.2 | Very high | 89 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.034 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 132.4 | -179.9 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | N1605 Y1606 L1608 D1631 I1632 T1635 | C1603-N1605 VanDerWaalsContact C-N 3.27Å; C1603-N1605 PolarHBondContact O-N 3.16Å; C1603-N1605 VanDerWaalsContact O-N 3.11Å; C1603-Y1606 PolarHBondContact N-O 2.98Å; C1603-Y1606 PolarHBondContact O-N 3.01Å; C1603-L1608 HydrophobicContact CB-CD1 4.04Å; C1603-L1608 HydrophobicContact CB-CD2 4.2Å; C1603-L1608 HydrophobicContact CB-CG 4.1Å; C1603-D1631 VanDerWaalsContact SG-C 3.59Å; C1603-I1632 HydrophobicContact CB-CG1 4.48Å; C1603-T1635 PolarHBondContact SG-OG1 3.21Å |
| 1604 | H | 87.6 | Confident | 89.4 | Confident | 46.6 Ų | 46.6 | 37.8 Ų | 37.8 | 22% | 0.216 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 40.9 | 49.3 | 179.4 | -162.2 | 83.5 | 0 | 0 | 0 | 114.3 | Y1606 A1627 L1628 D1631 | H1604-Y1606 VanDerWaalsContact O-CD2 3.24Å; H1604-Y1606 WeakPolarHBondContact O-CD2 3.45Å; H1604-Y1606 WeakPolarHBondContact O-CE2 3.31Å; H1604-A1627 WeakPolarHBondContact CE1-CB 3.34Å; H1604-A1627 WeakPolarHBondContact NE2-CB 3.4Å; H1604-L1628 HydrophobicContact CB-CB 4.24Å; H1604-L1628 HydrophobicContact CB-CD1 3.67Å; H1604-L1628 PolarHBondContact CD2-N 2.64Å; H1604-D1631 HydrophobicContact CB-CB 3.93Å; H1604-D1631 IonicContact CE1-OD2 3.16Å; H1604-D1631 IonicContact CG-OD2 3.1Å; H1604-D1631 IonicContact ND1-OD2 3.1Å; H1604-D1631 PolarHBondContact ND1-OD2 2.96Å |
| 1605 | N | 90.8 | Very high | 89.4 | Confident | 41.4 Ų | 41.4 | 46.2 Ų | 46.2 | 22% | 0.221 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 5.9 | -179.8 | -40.8 | -59.7 | 0 | 0 | 0 | 117 | A1528 N1532 C1603 | A1528-N1605 WeakPolarHBondContact CB-OD1 3.3Å; N1532-N1605 VanDerWaalsContact ND2-CG 3.34Å; N1532-N1605 PolarHBondContact ND2-OD1 2.89Å; N1532-N1605 VanDerWaalsContact ND2-OD1 3.12Å; C1603-N1605 VanDerWaalsContact C-N 3.27Å; C1603-N1605 PolarHBondContact O-N 3.16Å; C1603-N1605 VanDerWaalsContact O-N 3.11Å |
| 1606 | Y | 94.2 | Very high | 89.8 | Confident | 3.4 Ų | 3.4 | 50 Ų | 50 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 137.4 | -178.6 | -57.5 | -80.8 | 0 | 0 | 0 | 113.3 | P1549 E1550 F1602 C1603 H1604 L1608 W1620 P1621 I1622 R1623 L1628 | P1549-Y1606 HydrophobicContact CB-CD1 4.29Å; P1549-Y1606 CarbonylContact O-C 3.44Å; P1549-Y1606 VanDerWaalsContact O-CA 3.25Å; P1549-Y1606 WeakPolarHBondContact O-CA 3.34Å; E1550-Y1606 HydrophobicContact CG-CD1 3.84Å; E1550-Y1606 HydrophobicContact CG-CE1 3.5Å; E1550-Y1606 VanDerWaalsContact CG-CE1 3.45Å; F1602-Y1606 CarbonylContact C-O 3.5Å; F1602-Y1606 WeakPolarHBondContact CA-O 3.32Å; C1603-Y1606 PolarHBondContact N-O 2.98Å; C1603-Y1606 PolarHBondContact O-N 3.01Å; H1604-Y1606 VanDerWaalsContact O-CD2 3.24Å; H1604-Y1606 WeakPolarHBondContact O-CD2 3.45Å; H1604-Y1606 WeakPolarHBondContact O-CE2 3.31Å; Y1606-L1608 PolarHBondContact O-N 3.06Å; Y1606-W1620 AromaticContact CE1-CD1 3.95Å; Y1606-W1620 AromaticContact CE1-NE1 3.7Å; Y1606-P1621 PolarHBondContact OH-O 3.19Å; Y1606-I1622 HydrophobicContact CE2-CG2 4.16Å; Y1606-I1622 WeakPolarHBondContact OH-CA 3.39Å; Y1606-R1623 PolarHBondContact OH-N 3.09Å; Y1606-R1623 VanDerWaalsContact OH-N 3.11Å; Y1606-L1628 HydrophobicContact CD2-CD1 4.15Å; Y1606-L1628 HydrophobicContact CD2-CD2 4.16Å; Y1606-L1628 HydrophobicContact CE2-CD2 4.44Å |
| 1607 | Y | 94.8 | Very high | 90.2 | Very high | 6.4 Ų | 6.4 | 49 Ų | 49 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 106.4 | 163 | -73.7 | -64.1 | 0 | 0 | 0 | 109.5 | A1525 P1549 I1552 L1597 E1600 L1601 F1602 R1609 H1610 L1611 | A1525-Y1607 HydrophobicContact CB-CD2 4.33Å; A1525-Y1607 HydrophobicContact CB-CE2 3.32Å; A1525-Y1607 VanDerWaalsContact CB-CZ 3.48Å; A1525-Y1607 VanDerWaalsContact CB-OH 3.27Å; A1525-Y1607 WeakPolarHBondContact CB-OH 3.42Å; P1549-Y1607 PolarHBondContact O-N 3.04Å; I1552-Y1607 HydrophobicContact CB-CD2 4.19Å; I1552-Y1607 HydrophobicContact CB-CE2 3.83Å; I1552-Y1607 HydrophobicContact CD1-CD1 4.03Å; I1552-Y1607 HydrophobicContact CD1-CD2 3.43Å; I1552-Y1607 VanDerWaalsContact CD1-CD2 3.45Å; I1552-Y1607 HydrophobicContact CD1-CE1 4.34Å; I1552-Y1607 HydrophobicContact CD1-CE2 3.8Å; I1552-Y1607 HydrophobicContact CD1-CG 3.54Å; I1552-Y1607 HydrophobicContact CG1-CD2 3.55Å; I1552-Y1607 HydrophobicContact CG1-CE2 3.73Å; I1552-Y1607 HydrophobicContact CG1-CG 4.19Å; L1597-Y1607 HydrophobicContact CD1-CE1 4.44Å; L1597-Y1607 WeakPolarHBondContact CD1-OH 3.45Å; L1597-Y1607 HydrophobicContact CD2-CE1 3.95Å; L1597-Y1607 HydrophobicContact CD2-CE2 4.47Å; E1600-Y1607 HydrophobicContact CB-CD1 3.73Å; E1600-Y1607 HydrophobicContact CB-CE1 4.01Å; E1600-Y1607 HydrophobicContact CG-CD1 3.98Å; E1600-Y1607 HydrophobicContact CG-CE1 4.35Å; E1600-Y1607 HydrophobicContact CG-CG 4.49Å; E1600-Y1607 WeakPolarHBondContact OE2-CB 3.37Å; L1601-Y1607 CarbonylContact O-C 3.52Å; L1601-Y1607 WeakPolarHBondContact O-CA 3.44Å; F1602-Y1607 HydrophobicContact CB-CD1 3.96Å; F1602-Y1607 HydrophobicContact CB-CE1 3.86Å; F1602-Y1607 AromaticContact CD2-CD1 3.9Å; F1602-Y1607 HydrophobicContact CD2-CD1 3.9Å; F1602-Y1607 HydrophobicContact CD2-CD2 4.19Å; F1602-Y1607 AromaticContact CD2-CE1 3.89Å; F1602-Y1607 HydrophobicContact CD2-CE1 3.89Å; F1602-Y1607 HydrophobicContact CD2-CE2 4.17Å; F1602-Y1607 HydrophobicContact CD2-CG 4.08Å; F1602-Y1607 HydrophobicContact CG-CD1 4.43Å; F1602-Y1607 HydrophobicContact CG-CE1 4.26Å; Y1607-R1609 VanDerWaalsContact C-N 3.27Å; Y1607-R1609 PolarHBondContact O-N 3.09Å; Y1607-H1610 PolarHBondContact O-N 3.16Å; Y1607-H1610 VanDerWaalsContact O-N 3.16Å; Y1607-L1611 WeakPolarHBondContact O-CB 3.09Å; Y1607-L1611 PolarHBondContact O-N 3.22Å |
| 1608 | L | 94.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.4 | -30.1 | -171.6 | -62.8 | -168.5 | 0 | 0 | 0 | 112.7 | L1601 C1603 Y1606 L1611 C1612 L1628 I1632 L1722 M1723 A1726 | L1601-L1608 HydrophobicContact CB-CB 4.46Å; L1601-L1608 HydrophobicContact CD2-CD1 3.84Å; L1601-L1608 HydrophobicContact CD2-CG 4.5Å; L1601-L1608 HydrophobicContact CG-CD1 4.16Å; L1601-L1608 HydrophobicContact CG-CG 4.47Å; L1601-L1608 WeakPolarHBondContact O-CG 3.32Å; L1601-L1608 PolarHBondContact O-N 3.27Å; C1603-L1608 HydrophobicContact CB-CD1 4.04Å; C1603-L1608 HydrophobicContact CB-CD2 4.2Å; C1603-L1608 HydrophobicContact CB-CG 4.1Å; Y1606-L1608 PolarHBondContact O-N 3.06Å; L1608-L1611 HydrophobicContact CD2-CD2 4.08Å; L1608-L1611 PolarHBondContact O-N 3.23Å; L1608-C1612 VanDerWaalsContact O-CB 3.25Å; L1608-C1612 WeakPolarHBondContact O-CB 3.38Å; L1608-C1612 PolarHBondContact O-N 2.91Å; L1608-C1612 PolarHBondContact O-SG 3.25Å; L1608-L1628 HydrophobicContact CD2-CD1 4.48Å; L1608-I1632 HydrophobicContact CD1-CD1 4.48Å; L1608-I1632 HydrophobicContact CD1-CG1 4.27Å; L1608-I1632 HydrophobicContact CD2-CD1 4.32Å; L1608-L1722 HydrophobicContact CB-CB 4.09Å; L1608-M1723 HydrophobicContact CD1-CG 3.93Å; L1608-A1726 HydrophobicContact CD1-CB 4.3Å; L1608-A1726 HydrophobicContact CD2-CB 3.96Å |
| 1609 | R | 92.7 | Very high | 90.7 | Very high | 98.8 Ų | 98.8 | 52.3 Ų | 52.3 | 37% | 0.373 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 175.8 | -168.2 | 177.4 | 62.9 | 93.2 | -1.8 | 111.3 | N1599 E1600 Y1607 C1612 D1613 L1722 | N1599-R1609 WeakPolarHBondContact O-CD 3.37Å; N1599-R1609 PolarHBondContact O-NE 3.06Å; E1600-R1609 WeakPolarHBondContact OE1-CB 3.4Å; E1600-R1609 IonicContact OE1-CZ 3.24Å; E1600-R1609 IonicContact OE1-NE 3.11Å; E1600-R1609 PolarHBondContact OE1-NE 3.15Å; E1600-R1609 IonicContact OE1-NH2 3.32Å; E1600-R1609 PolarHBondContact OE1-NH2 3.13Å; E1600-R1609 VanDerWaalsContact OE2-CB 3.29Å; E1600-R1609 WeakPolarHBondContact OE2-CB 3.39Å; E1600-R1609 PolarHBondContact OE2-N 3.39Å; E1600-R1609 IonicContact OE2-NE 3.45Å; Y1607-R1609 VanDerWaalsContact C-N 3.27Å; Y1607-R1609 PolarHBondContact O-N 3.09Å; R1609-C1612 PolarHBondContact O-N 3.17Å; R1609-D1613 PolarHBondContact O-N 3.22Å; R1609-D1613 VanDerWaalsContact O-N 3.14Å; R1609-L1722 HydrophobicContact CB-CD1 3.87Å; R1609-L1722 HydrophobicContact CB-CD2 4.04Å; R1609-L1722 HydrophobicContact CG-CD1 4.43Å; R1609-L1722 HydrophobicContact CG-CD2 4.22Å |
| 1610 | H | 92.9 | Very high | 91.3 | Very high | 7.8 Ų | 7.8 | 50.3 Ų | 50.3 | 4% | 0.036 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.1 | -38.5 | 175.4 | -77.2 | 73.4 | 0 | 0 | 0 | 112.2 | D1547 P1549 I1552 E1600 Y1607 C1612 D1613 R1616 F1617 | D1547-H1610 IonicContact OD1-CD2 3.24Å; D1547-H1610 IonicContact OD1-CE1 3.16Å; D1547-H1610 IonicContact OD1-NE2 3.44Å; D1547-H1610 PolarHBondContact OD1-NE2 3.19Å; D1547-H1610 IonicContact OD2-NE2 3.7Å; P1549-H1610 HydrophobicContact CB-CB 4.27Å; P1549-H1610 HydrophobicContact CG-CB 4.08Å; I1552-H1610 VanDerWaalsContact CD1-CE1 3.42Å; I1552-H1610 WeakPolarHBondContact CD1-CE1 3.41Å; I1552-H1610 WeakPolarHBondContact CD1-ND1 3.35Å; E1600-H1610 IonicContact OE1-CE1 3.23Å; E1600-H1610 PolarHBondContact OE1-CE1 3.21Å; E1600-H1610 IonicContact OE1-CG 3.09Å; E1600-H1610 IonicContact OE1-ND1 3.41Å; E1600-H1610 PolarHBondContact OE1-ND1 3.43Å; E1600-H1610 IonicContact OE2-CE1 2.86Å; E1600-H1610 IonicContact OE2-ND1 3.13Å; E1600-H1610 PolarHBondContact OE2-ND1 2.64Å; E1600-H1610 VanDerWaalsContact OE2-ND1 3.16Å; Y1607-H1610 PolarHBondContact O-N 3.16Å; Y1607-H1610 VanDerWaalsContact O-N 3.16Å; H1610-C1612 VanDerWaalsContact C-N 3.26Å; H1610-C1612 PolarHBondContact O-N 3.17Å; H1610-D1613 PolarHBondContact O-N 2.98Å; H1610-R1616 PolarHBondContact NE2-NH1 3.45Å; H1610-F1617 HydrophobicContact CB-CD2 4.48Å; H1610-F1617 HydrophobicContact CB-CE2 4.33Å; H1610-F1617 AromaticContact CD2-CE2 3.67Å; H1610-F1617 WeakPolarHBondContact O-CD2 3.37Å |
| 1611 | L | 94 | Very high | 91.5 | Very high | 0.2 Ų | 0.2 | 53.8 Ų | 53.8 | 0% | 0.001 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -34.5 | 175.2 | -173.6 | 64.6 | 0 | 0 | 0 | 112.1 | P1549 Y1607 L1608 D1613 W1620 I1622 L1628 A1726 I1729 | P1549-L1611 HydrophobicContact CB-CB 4.35Å; P1549-L1611 HydrophobicContact CB-CD1 4.4Å; Y1607-L1611 WeakPolarHBondContact O-CB 3.09Å; Y1607-L1611 PolarHBondContact O-N 3.22Å; L1608-L1611 HydrophobicContact CD2-CD2 4.08Å; L1608-L1611 PolarHBondContact O-N 3.23Å; L1611-D1613 VanDerWaalsContact C-N 3.33Å; L1611-W1620 HydrophobicContact CD1-CB 4.34Å; L1611-I1622 HydrophobicContact CD1-CD1 4.4Å; L1611-I1622 HydrophobicContact CD1-CG1 4.44Å; L1611-I1622 HydrophobicContact CD2-CD1 4.44Å; L1611-L1628 HydrophobicContact CD2-CD2 4.11Å; L1611-A1726 HydrophobicContact CD2-CB 4.49Å; L1611-I1729 WeakPolarHBondContact O-CD1 3.43Å |
| 1612 | C | 93 | Very high | 91.7 | Very high | 20 Ų | 20 | 53.3 Ų | 53.3 | 14% | 0.135 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -79.8 | -12.7 | 177.6 | -68.4 | 0 | 0 | 0 | 0 | 113.9 | L1608 R1609 H1610 L1614 L1722 R1725 A1726 I1729 | L1608-C1612 VanDerWaalsContact O-CB 3.25Å; L1608-C1612 WeakPolarHBondContact O-CB 3.38Å; L1608-C1612 PolarHBondContact O-N 2.91Å; L1608-C1612 PolarHBondContact O-SG 3.25Å; R1609-C1612 PolarHBondContact O-N 3.17Å; H1610-C1612 VanDerWaalsContact C-N 3.26Å; H1610-C1612 PolarHBondContact O-N 3.17Å; C1612-L1614 VanDerWaalsContact C-N 3.33Å; C1612-L1614 PolarHBondContact O-N 3.24Å; C1612-L1722 HydrophobicContact CB-CD2 4.3Å; C1612-R1725 HydrophobicContact CB-CB 4.44Å; C1612-R1725 HydrophobicContact CB-CG 3.97Å; C1612-A1726 PolarHBondContact SG-N 3.29Å; C1612-A1726 VanDerWaalsContact SG-N 3.43Å; C1612-I1729 HydrophobicContact CB-CD1 4.43Å |
| 1613 | D | 90.4 | Very high | 91.5 | Very high | 47.8 Ų | 47.8 | 59 Ų | 59 | 26% | 0.256 | 28% | 0.281 | S | S | . | . | trans | -78.6 | 83.2 | 174.2 | -170.6 | -18.8 | 0 | 0 | 0 | 110.3 | R1609 H1610 L1611 Q1615 R1616 F1617 | R1609-D1613 PolarHBondContact O-N 3.22Å; R1609-D1613 VanDerWaalsContact O-N 3.14Å; H1610-D1613 PolarHBondContact O-N 2.98Å; L1611-D1613 VanDerWaalsContact C-N 3.33Å; D1613-Q1615 PolarHBondContact O-N 2.95Å; D1613-Q1615 WeakPolarHBondContact OD1-CB 3.29Å; D1613-Q1615 PolarHBondContact OD1-N 3.02Å; D1613-Q1615 VanDerWaalsContact OD1-N 3.14Å; D1613-R1616 HydrophobicContact CB-CB 4.48Å; D1613-R1616 PolarHBondContact O-N 2.99Å; D1613-R1616 PolarHBondContact OD1-N 3.03Å; D1613-R1616 WeakPolarHBondContact OD2-CB 3.34Å; D1613-R1616 WeakPolarHBondContact OD2-CD 3.41Å; D1613-R1616 VanDerWaalsContact OD2-CG 3.25Å; D1613-R1616 WeakPolarHBondContact OD2-CG 3.35Å; D1613-R1616 IonicContact OD2-NE 2.67Å; D1613-R1616 PolarHBondContact OD2-NE 3.17Å; D1613-F1617 HydrophobicContact CB-CD2 4.4Å; D1613-F1617 PolarHBondContact O-N 3.17Å | ||
| 1614 | L | 89.6 | Confident | 91.5 | Very high | 66.8 Ų | 66.8 | 62.4 Ų | 62.4 | 35% | 0.35 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -13.1 | 179.2 | -61.9 | -176.9 | 0 | 0 | 0 | 113.6 | C1612 I1729 | C1612-L1614 VanDerWaalsContact C-N 3.33Å; C1612-L1614 PolarHBondContact O-N 3.24Å; L1614-I1729 HydrophobicContact CD1-CD1 4.49Å; L1614-I1729 HydrophobicContact CD1-CG1 4.43Å; L1614-I1729 HydrophobicContact CD2-CD1 3.81Å; L1614-I1729 HydrophobicContact CD2-CG1 4.19Å; L1614-I1729 HydrophobicContact CG-CD1 4.26Å |
| 1615 | Q | 89.1 | Confident | 91.8 | Very high | 184.6 Ų | 184.6 | 60.6 Ų | 60.6 | 86% | 0.863 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -46.2 | 176 | -67.5 | -160.8 | -15 | 0 | 0 | 110.4 | D1613 | D1613-Q1615 PolarHBondContact O-N 2.95Å; D1613-Q1615 WeakPolarHBondContact OD1-CB 3.29Å; D1613-Q1615 PolarHBondContact OD1-N 3.02Å; D1613-Q1615 VanDerWaalsContact OD1-N 3.14Å |
| 1616 | R | 91.6 | Very high | 91.8 | Very high | 141.8 Ų | 141.8 | 61.5 Ų | 61.5 | 54% | 0.535 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -38.5 | 178.4 | -79.9 | -178.9 | 142.9 | -154.3 | -0.9 | 112.8 | D1547 H1610 D1613 P1618 | D1547-R1616 IonicContact OD1-NH1 3.66Å; D1547-R1616 IonicContact OD2-CZ 3.21Å; D1547-R1616 VanDerWaalsContact OD2-CZ 3.27Å; D1547-R1616 IonicContact OD2-NH1 3.34Å; D1547-R1616 PolarHBondContact OD2-NH1 3.01Å; D1547-R1616 IonicContact OD2-NH2 3.85Å; D1547-R1616 PolarHBondContact OD2-NH2 2.79Å; H1610-R1616 PolarHBondContact NE2-NH1 3.45Å; D1613-R1616 HydrophobicContact CB-CB 4.48Å; D1613-R1616 PolarHBondContact O-N 2.99Å; D1613-R1616 PolarHBondContact OD1-N 3.03Å; D1613-R1616 WeakPolarHBondContact OD2-CB 3.34Å; D1613-R1616 WeakPolarHBondContact OD2-CD 3.41Å; D1613-R1616 VanDerWaalsContact OD2-CG 3.25Å; D1613-R1616 WeakPolarHBondContact OD2-CG 3.35Å; D1613-R1616 IonicContact OD2-NE 2.67Å; D1613-R1616 PolarHBondContact OD2-NE 3.17Å; R1616-P1618 VanDerWaalsContact C-CD 3.42Å; R1616-P1618 WeakPolarHBondContact O-CD 3.37Å |
| 1617 | F | 93.1 | Very high | 91.7 | Very high | 29.4 Ų | 29.4 | 61.8 Ų | 61.8 | 13% | 0.129 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -125.9 | 63.7 | -174.2 | -52.4 | -74.4 | 0 | 0 | 0 | 112.4 | D1547 P1549 H1610 D1613 N1619 W1620 | D1547-F1617 WeakPolarHBondContact O-CZ 3.44Å; P1549-F1617 HydrophobicContact CG-CB 4.21Å; P1549-F1617 HydrophobicContact CG-CD1 4.32Å; P1549-F1617 HydrophobicContact CG-CD2 4.09Å; P1549-F1617 HydrophobicContact CG-CG 3.93Å; H1610-F1617 HydrophobicContact CB-CD2 4.48Å; H1610-F1617 HydrophobicContact CB-CE2 4.33Å; H1610-F1617 AromaticContact CD2-CE2 3.67Å; H1610-F1617 WeakPolarHBondContact O-CD2 3.37Å; D1613-F1617 HydrophobicContact CB-CD2 4.4Å; D1613-F1617 PolarHBondContact O-N 3.17Å; F1617-N1619 PolarHBondContact O-N 3.06Å; F1617-W1620 HydrophobicContact CB-CB 4.4Å; F1617-W1620 HydrophobicContact CB-CE3 4.37Å; F1617-W1620 AromaticContact CD1-CE3 3.89Å; F1617-W1620 HydrophobicContact CD1-CE3 3.93Å; F1617-W1620 AromaticContact CD1-CZ3 3.95Å; F1617-W1620 HydrophobicContact CD1-CZ3 4.06Å; F1617-W1620 HydrophobicContact CE1-CZ3 4.41Å; F1617-W1620 HydrophobicContact CG-CE3 4.4Å |
| 1618 | P | 89.5 | Confident | 91.6 | Very high | 84 Ų | 84 | 61.5 Ų | 61.5 | 55% | 0.545 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 132.6 | 174.1 | 28.2 | -34.1 | 0 | 0 | 0 | 109.6 | R1616 W1620 | R1616-P1618 VanDerWaalsContact C-CD 3.42Å; R1616-P1618 WeakPolarHBondContact O-CD 3.37Å; P1618-W1620 VanDerWaalsContact C-N 3.28Å; P1618-W1620 PolarHBondContact O-N 3.08Å; P1618-W1620 VanDerWaalsContact O-N 3.16Å |
| 1619 | N | 86.8 | Confident | 91.6 | Very high | 126.8 Ų | 126.8 | 62.1 Ų | 62.1 | 68% | 0.678 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 31.7 | 173.7 | -57.3 | -33 | 0 | 0 | 0 | 115.7 | F1617 R1733 | F1617-N1619 PolarHBondContact O-N 3.06Å; N1619-R1733 VanDerWaalsContact CA-CZ 3.45Å; N1619-R1733 VanDerWaalsContact N-NH2 3.15Å |
| 1620 | W | 93.3 | Very high | 91.7 | Very high | 63 Ų | 63 | 64.9 Ų | 64.9 | 24% | 0.239 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -51.9 | 128.2 | 172.6 | -170 | -89.8 | 0 | 0 | 0 | 111.7 | P1549 E1550 Y1606 L1611 F1617 P1618 I1622 R1733 | P1549-W1620 HydrophobicContact CB-CD2 4.26Å; P1549-W1620 HydrophobicContact CB-CG 4.25Å; P1549-W1620 HydrophobicContact CG-CB 4.42Å; P1549-W1620 HydrophobicContact CG-CD2 3.69Å; P1549-W1620 HydrophobicContact CG-CE3 4.05Å; P1549-W1620 HydrophobicContact CG-CG 3.86Å; P1549-W1620 HydrophobicContact CG-CZ2 4.47Å; E1550-W1620 HydrophobicContact CB-CZ2 4.24Å; E1550-W1620 HydrophobicContact CG-CZ2 4.25Å; Y1606-W1620 AromaticContact CE1-CD1 3.95Å; Y1606-W1620 AromaticContact CE1-NE1 3.7Å; L1611-W1620 HydrophobicContact CD1-CB 4.34Å; F1617-W1620 HydrophobicContact CB-CB 4.4Å; F1617-W1620 HydrophobicContact CB-CE3 4.37Å; F1617-W1620 AromaticContact CD1-CE3 3.89Å; F1617-W1620 HydrophobicContact CD1-CE3 3.93Å; F1617-W1620 AromaticContact CD1-CZ3 3.95Å; F1617-W1620 HydrophobicContact CD1-CZ3 4.06Å; F1617-W1620 HydrophobicContact CE1-CZ3 4.41Å; F1617-W1620 HydrophobicContact CG-CE3 4.4Å; P1618-W1620 VanDerWaalsContact C-N 3.28Å; P1618-W1620 PolarHBondContact O-N 3.08Å; P1618-W1620 VanDerWaalsContact O-N 3.16Å; W1620-I1622 PolarHBondContact O-N 3.38Å; W1620-R1733 PolarHBondContact O-NH1 3.15Å; W1620-R1733 VanDerWaalsContact O-NH1 3.11Å |
| 1621 | P | 91.7 | Very high | 91.6 | Very high | 90.4 Ų | 90.4 | 66.7 Ų | 66.7 | 59% | 0.587 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 128.9 | -174.2 | 27.9 | -34.3 | 0 | 0 | 0 | 111.8 | Y1606 | Y1606-P1621 PolarHBondContact OH-O 3.19Š|
| 1622 | I | 93.1 | Very high | 91.7 | Very high | 9.4 Ų | 9.4 | 66.7 Ų | 66.7 | 5% | 0.048 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -102.5 | 118 | 175.5 | -56.9 | 175.6 | 0 | 0 | 0 | 108.1 | Y1606 L1611 W1620 P1625 L1628 V1730 Y1734 | Y1606-I1622 HydrophobicContact CE2-CG2 4.16Å; Y1606-I1622 WeakPolarHBondContact OH-CA 3.39Å; L1611-I1622 HydrophobicContact CD1-CD1 4.4Å; L1611-I1622 HydrophobicContact CD1-CG1 4.44Å; L1611-I1622 HydrophobicContact CD2-CD1 4.44Å; W1620-I1622 PolarHBondContact O-N 3.38Å; I1622-P1625 HydrophobicContact CB-CG 4.38Å; I1622-P1625 HydrophobicContact CG2-CB 4.33Å; I1622-P1625 HydrophobicContact CG2-CG 4.17Å; I1622-L1628 HydrophobicContact CD1-CD2 3.92Å; I1622-L1628 HydrophobicContact CG1-CD2 4.3Å; I1622-L1628 HydrophobicContact CG2-CB 4.38Å; I1622-L1628 HydrophobicContact CG2-CD2 3.68Å; I1622-V1730 HydrophobicContact CD1-CG2 3.95Å; I1622-Y1734 HydrophobicContact CB-CE2 4.08Å; I1622-Y1734 HydrophobicContact CD1-CE2 4.04Å; I1622-Y1734 HydrophobicContact CG1-CE2 4.35Å; I1622-Y1734 PolarHBondContact N-OH 3.1Å; I1622-Y1734 PolarHBondContact O-OH 3.22Å |
| 1623 | R | 88.8 | Confident | 91.8 | Very high | 165 Ų | 165 | 66.8 Ų | 66.8 | 62% | 0.623 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -65.6 | -45.9 | -174.1 | -68.1 | 177.1 | -171.1 | -88.4 | -6.6 | 112.6 | H1533 E1550 Y1606 | H1533-R1623 PolarHBondContact CE1-NH2 3.29Å; H1533-R1623 VanDerWaalsContact CE1-NH2 3.28Å; H1533-R1623 PolarHBondContact NE2-NH2 3.05Å; E1550-R1623 VanDerWaalsContact CD-NH2 3.32Å; E1550-R1623 IonicContact OE1-CZ 3.21Å; E1550-R1623 IonicContact OE1-NE 3.62Å; E1550-R1623 PolarHBondContact OE1-NE 3.38Å; E1550-R1623 VanDerWaalsContact OE1-NE 3.17Å; E1550-R1623 IonicContact OE1-NH2 3.25Å; E1550-R1623 PolarHBondContact OE1-NH2 3.06Å; E1550-R1623 IonicContact OE2-CZ 3.09Å; E1550-R1623 IonicContact OE2-NH2 3.33Å; E1550-R1623 PolarHBondContact OE2-NH2 3.34Å; Y1606-R1623 PolarHBondContact OH-N 3.09Å; Y1606-R1623 VanDerWaalsContact OH-N 3.11Å |
| 1624 | D | 90.9 | Very high | 91.9 | Very high | 76 Ų | 76 | 68.2 Ų | 68.2 | 41% | 0.406 | 33% | 0.327 | S | S | . | . | trans | -132.5 | 91 | 177.2 | -170.8 | -21.1 | 0 | 0 | 0 | 109.6 | V1626 A1627 L1628 | D1624-V1626 VanDerWaalsContact C-N 3.31Å; D1624-V1626 PolarHBondContact O-N 3.11Å; D1624-V1626 PolarHBondContact OD1-N 3.17Å; D1624-A1627 HydrophobicContact CB-CB 4.04Å; D1624-A1627 WeakPolarHBondContact OD1-CB 3.38Å; D1624-A1627 PolarHBondContact OD1-N 3.18Å; D1624-A1627 VanDerWaalsContact OD2-CB 3.29Å; D1624-A1627 WeakPolarHBondContact OD2-CB 3.36Å; D1624-L1628 WeakPolarHBondContact O-CB 3.47Å; D1624-L1628 PolarHBondContact O-N 3.23Å; D1624-L1628 VanDerWaalsContact O-N 3.09Å | ||
| 1625 | P | 92.4 | Very high | 91.9 | Very high | 10.6 Ų | 10.6 | 67 Ų | 67 | 7% | 0.069 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.7 | -34 | -178.2 | -22.4 | 33.1 | 0 | 0 | 0 | 113.5 | I1622 L1629 V1730 Y1734 L1737 | I1622-P1625 HydrophobicContact CB-CG 4.38Å; I1622-P1625 HydrophobicContact CG2-CB 4.33Å; I1622-P1625 HydrophobicContact CG2-CG 4.17Å; P1625-L1629 WeakPolarHBondContact O-CB 3.32Å; P1625-L1629 PolarHBondContact O-N 3.2Å; P1625-V1730 HydrophobicContact CB-CG1 4.14Å; P1625-Y1734 HydrophobicContact CB-CD1 4.33Å; P1625-Y1734 HydrophobicContact CB-CD2 3.79Å; P1625-Y1734 HydrophobicContact CB-CE2 4.12Å; P1625-Y1734 HydrophobicContact CB-CG 3.91Å; P1625-Y1734 HydrophobicContact CG-CD1 3.66Å; P1625-Y1734 HydrophobicContact CG-CD2 3.79Å; P1625-Y1734 HydrophobicContact CG-CE1 3.61Å; P1625-Y1734 HydrophobicContact CG-CE2 3.77Å; P1625-Y1734 HydrophobicContact CG-CG 3.75Å; P1625-L1737 HydrophobicContact CB-CD2 4.41Å; P1625-L1737 HydrophobicContact CG-CD2 4.4Å |
| 1626 | V | 92.2 | Very high | 92.2 | Very high | 58.4 Ų | 58.4 | 58.2 Ų | 58.2 | 35% | 0.354 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -74 | -42.6 | -176.9 | 179.4 | 0 | 0 | 0 | 0 | 110.1 | D1624 L1629 R1630 L1737 L1738 | D1624-V1626 VanDerWaalsContact C-N 3.31Å; D1624-V1626 PolarHBondContact O-N 3.11Å; D1624-V1626 PolarHBondContact OD1-N 3.17Å; V1626-L1629 PolarHBondContact O-N 3.14Å; V1626-R1630 WeakPolarHBondContact O-CB 3.39Å; V1626-R1630 WeakPolarHBondContact O-CG 3.5Å; V1626-R1630 PolarHBondContact O-N 3.13Å; V1626-L1737 HydrophobicContact CG2-CD2 3.79Å; V1626-L1737 HydrophobicContact CG2-CG 4.12Å; V1626-L1738 HydrophobicContact CG2-CD2 4.24Å |
| 1627 | A | 91.1 | Very high | 92.2 | Very high | 11 Ų | 11 | 57.3 Ų | 57.3 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.5 | -39.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | H1604 D1624 L1629 R1630 D1631 | H1604-A1627 WeakPolarHBondContact CE1-CB 3.34Å; H1604-A1627 WeakPolarHBondContact NE2-CB 3.4Å; D1624-A1627 HydrophobicContact CB-CB 4.04Å; D1624-A1627 WeakPolarHBondContact OD1-CB 3.38Å; D1624-A1627 PolarHBondContact OD1-N 3.18Å; D1624-A1627 VanDerWaalsContact OD2-CB 3.29Å; D1624-A1627 WeakPolarHBondContact OD2-CB 3.36Å; A1627-L1629 PolarHBondContact O-N 3.19Å; A1627-R1630 PolarHBondContact O-N 3.21Å; A1627-D1631 WeakPolarHBondContact O-CB 3.38Å; A1627-D1631 PolarHBondContact O-N 3.23Å |
| 1628 | L | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.3 | -48.2 | 170.9 | 174.7 | 62.7 | 0 | 0 | 0 | 111.6 | H1604 Y1606 L1608 L1611 I1622 D1624 R1630 D1631 I1632 V1730 | H1604-L1628 HydrophobicContact CB-CB 4.24Å; H1604-L1628 HydrophobicContact CB-CD1 3.67Å; H1604-L1628 PolarHBondContact CD2-N 2.64Å; Y1606-L1628 HydrophobicContact CD2-CD1 4.15Å; Y1606-L1628 HydrophobicContact CD2-CD2 4.16Å; Y1606-L1628 HydrophobicContact CE2-CD2 4.44Å; L1608-L1628 HydrophobicContact CD2-CD1 4.48Å; L1611-L1628 HydrophobicContact CD2-CD2 4.11Å; I1622-L1628 HydrophobicContact CD1-CD2 3.92Å; I1622-L1628 HydrophobicContact CG1-CD2 4.3Å; I1622-L1628 HydrophobicContact CG2-CB 4.38Å; I1622-L1628 HydrophobicContact CG2-CD2 3.68Å; D1624-L1628 WeakPolarHBondContact O-CB 3.47Å; D1624-L1628 PolarHBondContact O-N 3.23Å; D1624-L1628 VanDerWaalsContact O-N 3.09Å; L1628-R1630 VanDerWaalsContact C-N 3.34Å; L1628-R1630 PolarHBondContact O-N 3.15Å; L1628-D1631 PolarHBondContact O-N 3.2Å; L1628-I1632 HydrophobicContact CD1-CD1 3.72Å; L1628-I1632 HydrophobicContact CD1-CG1 3.96Å; L1628-I1632 HydrophobicContact CD2-CD1 4.45Å; L1628-I1632 HydrophobicContact CG-CD1 3.75Å; L1628-I1632 HydrophobicContact CG-CG1 4.38Å; L1628-I1632 VanDerWaalsContact O-CG1 3.28Å; L1628-I1632 WeakPolarHBondContact O-CG1 3.3Å; L1628-I1632 PolarHBondContact O-N 2.96Å; L1628-V1730 HydrophobicContact CD2-CG2 4.01Å |
| 1629 | L | 94 | Very high | 91.9 | Very high | 13.2 Ų | 13.2 | 55.6 Ų | 55.6 | 7% | 0.069 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 179.1 | 178.3 | 59.1 | 0 | 0 | 0 | 112 | P1625 V1626 A1627 D1631 I1632 L1633 Q1727 V1730 Y1731 L1738 Y1743 | P1625-L1629 WeakPolarHBondContact O-CB 3.32Å; P1625-L1629 PolarHBondContact O-N 3.2Å; V1626-L1629 PolarHBondContact O-N 3.14Å; A1627-L1629 PolarHBondContact O-N 3.19Å; L1629-D1631 VanDerWaalsContact C-N 3.34Å; L1629-D1631 PolarHBondContact O-N 3.07Å; L1629-I1632 PolarHBondContact O-N 3.24Å; L1629-L1633 HydrophobicContact CD1-CD1 4.43Å; L1629-L1633 HydrophobicContact CD1-CG 4.45Å; L1629-L1633 HydrophobicContact CG-CD1 4.36Å; L1629-L1633 WeakPolarHBondContact O-CG 3.27Å; L1629-L1633 PolarHBondContact O-N 3.07Å; L1629-Q1727 HydrophobicContact CD1-CB 4.29Å; L1629-Q1727 HydrophobicContact CD1-CG 3.67Å; L1629-V1730 HydrophobicContact CB-CG1 4.41Å; L1629-Y1731 HydrophobicContact CD1-CE2 4.14Å; L1629-Y1731 HydrophobicContact CD2-CE2 3.84Å; L1629-L1738 HydrophobicContact CD2-CD1 4.39Å; L1629-L1738 HydrophobicContact CD2-CD2 3.99Å; L1629-Y1743 HydrophobicContact CD1-CE2 4.45Å |
| 1630 | R | 93.1 | Very high | 91.9 | Very high | 156.4 Ų | 156.4 | 52.6 Ų | 52.6 | 59% | 0.59 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60.7 | -43.2 | 177.9 | -161.6 | -177.3 | 40.5 | 113.4 | 4.3 | 112 | V1626 A1627 L1628 L1633 K1634 | V1626-R1630 WeakPolarHBondContact O-CB 3.39Å; V1626-R1630 WeakPolarHBondContact O-CG 3.5Å; V1626-R1630 PolarHBondContact O-N 3.13Å; A1627-R1630 PolarHBondContact O-N 3.21Å; L1628-R1630 VanDerWaalsContact C-N 3.34Å; L1628-R1630 PolarHBondContact O-N 3.15Å; R1630-L1633 PolarHBondContact O-N 3.26Å; R1630-K1634 PolarHBondContact O-N 3.01Å; R1630-K1634 VanDerWaalsContact O-N 3.11Å |
| 1631 | D | 92.1 | Very high | 91.5 | Very high | 45.8 Ų | 45.8 | 55.8 Ų | 55.8 | 25% | 0.245 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.9 | -35.4 | -179.6 | -73.7 | 1.1 | 0 | 0 | 0 | 111.5 | C1603 H1604 A1627 L1628 L1629 L1633 K1634 T1635 | C1603-D1631 VanDerWaalsContact SG-C 3.59Å; H1604-D1631 HydrophobicContact CB-CB 3.93Å; H1604-D1631 IonicContact CE1-OD2 3.16Å; H1604-D1631 IonicContact CG-OD2 3.1Å; H1604-D1631 IonicContact ND1-OD2 3.1Å; H1604-D1631 PolarHBondContact ND1-OD2 2.96Å; A1627-D1631 WeakPolarHBondContact O-CB 3.38Å; A1627-D1631 PolarHBondContact O-N 3.23Å; L1628-D1631 PolarHBondContact O-N 3.2Å; L1629-D1631 VanDerWaalsContact C-N 3.34Å; L1629-D1631 PolarHBondContact O-N 3.07Å; D1631-L1633 PolarHBondContact O-N 3.24Å; D1631-K1634 WeakPolarHBondContact O-CB 3.25Å; D1631-K1634 PolarHBondContact O-N 3.28Å; D1631-T1635 VanDerWaalsContact O-CB 3.32Å; D1631-T1635 WeakPolarHBondContact O-CB 3.38Å; D1631-T1635 VanDerWaalsContact O-CG2 3.31Å; D1631-T1635 WeakPolarHBondContact O-CG2 3.22Å; D1631-T1635 PolarHBondContact O-N 3.03Å; D1631-T1635 PolarHBondContact O-OG1 3Å; D1631-T1635 VanDerWaalsContact O-OG1 3.08Å |
| 1632 | I | 96.2 | Very high | 91 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 171.1 | -68.9 | 166.9 | 0 | 0 | 0 | 110.5 | C1603 L1608 L1628 L1629 K1634 T1635 W1636 M1723 A1726 Q1727 | C1603-I1632 HydrophobicContact CB-CG1 4.48Å; L1608-I1632 HydrophobicContact CD1-CD1 4.48Å; L1608-I1632 HydrophobicContact CD1-CG1 4.27Å; L1608-I1632 HydrophobicContact CD2-CD1 4.32Å; L1628-I1632 HydrophobicContact CD1-CD1 3.72Å; L1628-I1632 HydrophobicContact CD1-CG1 3.96Å; L1628-I1632 HydrophobicContact CD2-CD1 4.45Å; L1628-I1632 HydrophobicContact CG-CD1 3.75Å; L1628-I1632 HydrophobicContact CG-CG1 4.38Å; L1628-I1632 VanDerWaalsContact O-CG1 3.28Å; L1628-I1632 WeakPolarHBondContact O-CG1 3.3Å; L1628-I1632 PolarHBondContact O-N 2.96Å; L1629-I1632 PolarHBondContact O-N 3.24Å; I1632-K1634 VanDerWaalsContact C-N 3.29Å; I1632-K1634 PolarHBondContact O-N 3.02Å; I1632-T1635 VanDerWaalsContact CA-OG1 3.3Å; I1632-T1635 WeakPolarHBondContact CA-OG1 3.3Å; I1632-T1635 PolarHBondContact O-N 3.14Å; I1632-T1635 PolarHBondContact O-OG1 3.05Å; I1632-T1635 VanDerWaalsContact O-OG1 3.04Å; I1632-W1636 VanDerWaalsContact O-CB 3.28Å; I1632-W1636 WeakPolarHBondContact O-CB 3.33Å; I1632-W1636 PolarHBondContact O-N 3.19Å; I1632-M1723 HydrophobicContact CG2-CB 3.71Å; I1632-M1723 HydrophobicContact CG2-CG 3.97Å; I1632-A1726 HydrophobicContact CD1-CB 3.81Å; I1632-Q1727 HydrophobicContact CB-CG 4.4Å; I1632-Q1727 HydrophobicContact CD1-CG 4.45Å; I1632-Q1727 HydrophobicContact CG2-CG 3.72Å |
| 1633 | L | 94.8 | Very high | 90.1 | Very high | 22 Ų | 22 | 63.3 Ų | 63.3 | 12% | 0.115 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 178.1 | -75.4 | 171.4 | 0 | 0 | 0 | 112.1 | L1629 R1630 D1631 W1636 R1637 Q1727 Y1743 A1744 | L1629-L1633 HydrophobicContact CD1-CD1 4.43Å; L1629-L1633 HydrophobicContact CD1-CG 4.45Å; L1629-L1633 HydrophobicContact CG-CD1 4.36Å; L1629-L1633 WeakPolarHBondContact O-CG 3.27Å; L1629-L1633 PolarHBondContact O-N 3.07Å; R1630-L1633 PolarHBondContact O-N 3.26Å; D1631-L1633 PolarHBondContact O-N 3.24Å; L1633-W1636 HydrophobicContact CD2-CE3 4.19Å; L1633-W1636 HydrophobicContact CD2-CZ3 4.4Å; L1633-R1637 WeakPolarHBondContact O-CB 3.34Å; L1633-R1637 PolarHBondContact O-N 3.06Å; L1633-R1637 VanDerWaalsContact O-N 3.11Å; L1633-Q1727 VanDerWaalsContact CD2-OE1 3.26Å; L1633-Y1743 HydrophobicContact CD1-CE2 4.42Å; L1633-Y1743 HydrophobicContact CD2-CE2 4.03Å; L1633-A1744 HydrophobicContact CD1-CB 4.47Å |
| 1634 | K | 92.2 | Very high | 89.2 | Confident | 76.6 Ų | 76.6 | 59.4 Ų | 59.4 | 33% | 0.333 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.4 | -52.5 | 174.7 | -175.2 | -170.3 | 170.7 | -160.5 | 0 | 111 | R1630 D1631 I1632 W1636 R1637 D1638 | R1630-K1634 PolarHBondContact O-N 3.01Å; R1630-K1634 VanDerWaalsContact O-N 3.11Å; D1631-K1634 WeakPolarHBondContact O-CB 3.25Å; D1631-K1634 PolarHBondContact O-N 3.28Å; I1632-K1634 VanDerWaalsContact C-N 3.29Å; I1632-K1634 PolarHBondContact O-N 3.02Å; K1634-W1636 VanDerWaalsContact C-N 3.27Å; K1634-W1636 PolarHBondContact O-N 3.32Å; K1634-R1637 WeakPolarHBondContact O-CB 3.35Å; K1634-R1637 PolarHBondContact O-N 3.25Å; K1634-R1637 VanDerWaalsContact O-N 3.1Å; K1634-D1638 VanDerWaalsContact O-CG 3.3Å; K1634-D1638 PolarHBondContact O-N 3.07Å |
| 1635 | T | 90.8 | Very high | 88 | Confident | 41.6 Ų | 41.6 | 59.1 Ų | 59.1 | 26% | 0.255 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.6 | -36.5 | -180 | 10 | 0 | 0 | 0 | 0 | 111.9 | L1601 C1603 D1631 I1632 D1638 E1639 M1723 | L1601-T1635 HydrophobicContact CD1-CG2 4.38Å; C1603-T1635 PolarHBondContact SG-OG1 3.21Å; D1631-T1635 VanDerWaalsContact O-CB 3.32Å; D1631-T1635 WeakPolarHBondContact O-CB 3.38Å; D1631-T1635 VanDerWaalsContact O-CG2 3.31Å; D1631-T1635 WeakPolarHBondContact O-CG2 3.22Å; D1631-T1635 PolarHBondContact O-N 3.03Å; D1631-T1635 PolarHBondContact O-OG1 3Å; D1631-T1635 VanDerWaalsContact O-OG1 3.08Å; I1632-T1635 VanDerWaalsContact CA-OG1 3.3Å; I1632-T1635 WeakPolarHBondContact CA-OG1 3.3Å; I1632-T1635 PolarHBondContact O-N 3.14Å; I1632-T1635 PolarHBondContact O-OG1 3.05Å; I1632-T1635 VanDerWaalsContact O-OG1 3.04Å; T1635-D1638 PolarHBondContact O-N 3.1Å; T1635-E1639 VanDerWaalsContact O-CB 3.32Å; T1635-E1639 WeakPolarHBondContact O-CB 3.33Å; T1635-E1639 PolarHBondContact O-N 3.19Å; T1635-M1723 HydrophobicContact CG2-SD 3.84Å; T1635-M1723 WeakPolarHBondContact O-CE 3.14Å; T1635-M1723 WeakPolarHBondContact OG1-CE 3.12Å |
| 1636 | W | 94.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 176.2 | -177.6 | 20.3 | 0 | 0 | 0 | 111.6 | I1632 L1633 K1634 D1638 E1639 L1640 M1723 L1724 M1748 L1749 T1752 | I1632-W1636 VanDerWaalsContact O-CB 3.28Å; I1632-W1636 WeakPolarHBondContact O-CB 3.33Å; I1632-W1636 PolarHBondContact O-N 3.19Å; L1633-W1636 HydrophobicContact CD2-CE3 4.19Å; L1633-W1636 HydrophobicContact CD2-CZ3 4.4Å; K1634-W1636 VanDerWaalsContact C-N 3.27Å; K1634-W1636 PolarHBondContact O-N 3.32Å; W1636-D1638 VanDerWaalsContact C-N 3.33Å; W1636-D1638 PolarHBondContact O-N 3.36Å; W1636-E1639 PolarHBondContact O-N 3.09Å; W1636-L1640 WeakPolarHBondContact O-CG 3.33Å; W1636-L1640 PolarHBondContact O-N 3.31Å; W1636-M1723 VanDerWaalsContact CA-CE 3.47Å; W1636-M1723 VanDerWaalsContact CA-SD 3.58Å; W1636-M1723 WeakPolarHBondContact CA-SD 3.3Å; W1636-M1723 HydrophobicContact CB-CE 3.97Å; W1636-M1723 HydrophobicContact CB-SD 3.57Å; W1636-M1723 VanDerWaalsContact CB-SD 3.57Å; W1636-M1723 WeakPolarHBondContact CB-SD 3.44Å; W1636-M1723 HydrophobicContact CG-CE 4.21Å; W1636-M1723 HydrophobicContact CG-SD 4.22Å; W1636-M1723 PolarHBondContact N-SD 3.21Å; W1636-M1723 VanDerWaalsContact N-SD 3.38Å; W1636-L1724 HydrophobicContact CD2-CD2 4.32Å; W1636-L1724 HydrophobicContact CE3-CD2 4.32Å; W1636-L1724 HydrophobicContact CH2-CD2 3.43Å; W1636-L1724 VanDerWaalsContact CH2-CD2 3.43Å; W1636-L1724 HydrophobicContact CZ2-CD2 3.64Å; W1636-L1724 VanDerWaalsContact CZ2-CD2 3.5Å; W1636-L1724 HydrophobicContact CZ3-CD2 3.81Å; W1636-M1748 VanDerWaalsContact C-CE 3.41Å; W1636-M1748 HydrophobicContact CB-CE 3.66Å; W1636-M1748 HydrophobicContact CD2-CB 4.42Å; W1636-M1748 HydrophobicContact CD2-CE 3.23Å; W1636-M1748 HydrophobicContact CE3-CB 4.34Å; W1636-M1748 HydrophobicContact CE3-CE 3.56Å; W1636-M1748 HydrophobicContact CG-CE 3.27Å; W1636-M1748 HydrophobicContact CH2-CB 3.66Å; W1636-M1748 HydrophobicContact CZ2-CB 3.73Å; W1636-M1748 HydrophobicContact CZ2-CE 4.42Å; W1636-M1748 HydrophobicContact CZ3-CB 3.97Å; W1636-M1748 HydrophobicContact CZ3-CE 4.28Å; W1636-L1749 HydrophobicContact CH2-CB 3.95Å; W1636-L1749 HydrophobicContact CH2-CD1 4.22Å; W1636-T1752 WeakPolarHBondContact CZ2-OG1 3.15Å |
| 1637 | R | 92.2 | Very high | 85.9 | Confident | 123.2 Ų | 123.2 | 66.7 Ų | 66.7 | 47% | 0.465 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 175.2 | -172.8 | -179.7 | -60.5 | 163.6 | 2.3 | 111.1 | L1633 K1634 E1639 L1640 Q1641 M1748 | L1633-R1637 WeakPolarHBondContact O-CB 3.34Å; L1633-R1637 PolarHBondContact O-N 3.06Å; L1633-R1637 VanDerWaalsContact O-N 3.11Å; K1634-R1637 WeakPolarHBondContact O-CB 3.35Å; K1634-R1637 PolarHBondContact O-N 3.25Å; K1634-R1637 VanDerWaalsContact O-N 3.1Å; R1637-E1639 VanDerWaalsContact C-N 3.34Å; R1637-L1640 PolarHBondContact O-N 2.99Å; R1637-Q1641 WeakPolarHBondContact O-CG 3.39Å; R1637-Q1641 PolarHBondContact O-N 3.16Å; R1637-M1748 VanDerWaalsContact CA-CE 3.44Å; R1637-M1748 HydrophobicContact CB-CE 3.91Å; R1637-M1748 HydrophobicContact CB-SD 3.97Å; R1637-M1748 HydrophobicContact CG-SD 4.33Å |
| 1638 | D | 87.3 | Confident | 85.3 | Confident | 71.6 Ų | 71.6 | 68.4 Ų | 68.4 | 38% | 0.383 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66 | -38.8 | 178.4 | -62.8 | -19.7 | 0 | 0 | 0 | 110.9 | K1634 T1635 W1636 Q1641 K1642 | K1634-D1638 VanDerWaalsContact O-CG 3.3Å; K1634-D1638 PolarHBondContact O-N 3.07Å; T1635-D1638 PolarHBondContact O-N 3.1Å; W1636-D1638 VanDerWaalsContact C-N 3.33Å; W1636-D1638 PolarHBondContact O-N 3.36Å; D1638-Q1641 PolarHBondContact O-N 3.33Å; D1638-K1642 WeakPolarHBondContact O-CG 3.36Å; D1638-K1642 PolarHBondContact O-N 3.22Å |
| 1639 | E | 88 | Confident | 84.6 | Confident | 6.2 Ų | 6.2 | 71.6 Ų | 71.6 | 3% | 0.029 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 175.7 | -170.5 | 69.1 | -131.2 | 0 | 0 | 112.1 | T1635 W1636 R1637 Q1641 K1642 P1715 N1716 H1719 I1720 M1723 | T1635-E1639 VanDerWaalsContact O-CB 3.32Å; T1635-E1639 WeakPolarHBondContact O-CB 3.33Å; T1635-E1639 PolarHBondContact O-N 3.19Å; W1636-E1639 PolarHBondContact O-N 3.09Å; R1637-E1639 VanDerWaalsContact C-N 3.34Å; E1639-Q1641 PolarHBondContact O-N 3.16Å; E1639-K1642 VanDerWaalsContact CD-NZ 3.28Å; E1639-K1642 WeakPolarHBondContact O-CB 3.34Å; E1639-K1642 PolarHBondContact O-N 3.17Å; E1639-K1642 WeakPolarHBondContact OE1-CD 3.41Å; E1639-K1642 IonicContact OE1-NZ 3.57Å; E1639-K1642 PolarHBondContact OE1-NZ 3.14Å; E1639-K1642 VanDerWaalsContact OE1-NZ 3.12Å; E1639-K1642 WeakPolarHBondContact OE2-CE 3.39Å; E1639-K1642 IonicContact OE2-NZ 3.22Å; E1639-K1642 PolarHBondContact OE2-NZ 3.06Å; E1639-P1715 WeakPolarHBondContact O-CB 3.44Å; E1639-N1716 VanDerWaalsContact OE1-CB 3.29Å; E1639-N1716 WeakPolarHBondContact OE1-CB 3.3Å; E1639-N1716 PolarHBondContact OE1-N 3.06Å; E1639-H1719 HydrophobicContact CG-CB 4.28Å; E1639-H1719 IonicContact OE1-ND1 3.56Å; E1639-H1719 IonicContact OE2-CG 3.69Å; E1639-H1719 IonicContact OE2-ND1 3.14Å; E1639-H1719 PolarHBondContact OE2-ND1 3.23Å; E1639-H1719 VanDerWaalsContact OE2-ND1 3.11Å; E1639-I1720 HydrophobicContact CG-CG1 4.27Å; E1639-M1723 HydrophobicContact CB-CE 3.99Å; E1639-M1723 HydrophobicContact CG-CE 4.01Å |
| 1640 | L | 86.7 | Confident | 84 | Confident | 63.8 Ų | 63.8 | 77.9 Ų | 77.9 | 33% | 0.334 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.7 | -24.6 | 176.4 | -70.2 | -179.1 | 0 | 0 | 0 | 113 | W1636 R1637 I1720 M1748 | W1636-L1640 WeakPolarHBondContact O-CG 3.33Å; W1636-L1640 PolarHBondContact O-N 3.31Å; R1637-L1640 PolarHBondContact O-N 2.99Å; L1640-I1720 HydrophobicContact CD2-CD1 3.79Å; L1640-I1720 HydrophobicContact CD2-CG1 4.47Å; L1640-M1748 HydrophobicContact CD1-CB 4.12Å; L1640-M1748 HydrophobicContact CD1-CE 3.78Å; L1640-M1748 HydrophobicContact CD1-CG 4.06Å; L1640-M1748 HydrophobicContact CG-CE 4.47Å |
| 1641 | Q | 85.3 | Confident | 83.5 | Confident | 130.6 Ų | 130.6 | 75.5 Ų | 75.5 | 61% | 0.61 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -6.6 | 178.7 | -70.2 | 178.2 | 13.1 | 0 | 0 | 113.6 | R1637 D1638 E1639 K1643 | R1637-Q1641 WeakPolarHBondContact O-CG 3.39Å; R1637-Q1641 PolarHBondContact O-N 3.16Å; D1638-Q1641 PolarHBondContact O-N 3.33Å; E1639-Q1641 PolarHBondContact O-N 3.16Å; Q1641-K1643 PolarHBondContact O-N 3.17Å |
| 1642 | K | 81.8 | Confident | 83.1 | Confident | 84.4 Ų | 84.4 | 73.3 Ų | 73.3 | 37% | 0.367 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -64 | 128.8 | -179.8 | -71.5 | -178 | -177 | 170.8 | 0 | 111.3 | D1638 E1639 S1712 | D1638-K1642 WeakPolarHBondContact O-CG 3.36Å; D1638-K1642 PolarHBondContact O-N 3.22Å; E1639-K1642 VanDerWaalsContact CD-NZ 3.28Å; E1639-K1642 WeakPolarHBondContact O-CB 3.34Å; E1639-K1642 PolarHBondContact O-N 3.17Å; E1639-K1642 WeakPolarHBondContact OE1-CD 3.41Å; E1639-K1642 IonicContact OE1-NZ 3.57Å; E1639-K1642 PolarHBondContact OE1-NZ 3.14Å; E1639-K1642 VanDerWaalsContact OE1-NZ 3.12Å; E1639-K1642 WeakPolarHBondContact OE2-CE 3.39Å; E1639-K1642 IonicContact OE2-NZ 3.22Å; E1639-K1642 PolarHBondContact OE2-NZ 3.06Å; K1642-S1712 WeakPolarHBondContact CB-OG 3.41Å |
| 1643 | K | 74.1 | Confident | 82.5 | Confident | 173 Ų | 173 | 73.3 Ų | 73.3 | 75% | 0.752 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -102.9 | 150.6 | 175.3 | -66 | -178.5 | -178 | 179.2 | 0 | 110.2 | Q1641 V1645 | Q1641-K1643 PolarHBondContact O-N 3.17Å; K1643-V1645 PolarHBondContact O-N 3.11Å |
| 1644 | P | 68.5 | Low | 82 | Confident | 82.2 Ų | 82.2 | 74.6 Ų | 74.6 | 53% | 0.534 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 140.8 | 171.1 | 26.5 | -34 | 0 | 0 | 0 | 110.2 | N1646 S1712 | P1644-N1646 PolarHBondContact O-N 2.92Å; P1644-N1646 PolarHBondContact O-OD1 3.07Å; P1644-S1712 WeakPolarHBondContact CA-O 3.4Å |
| 1645 | V | 66.7 | Low | 81.7 | Confident | 70.4 Ų | 70.4 | 74.9 Ų | 74.9 | 43% | 0.427 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 135 | -177.1 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | K1643 M1647 F1704 L1711 S1712 | K1643-V1645 PolarHBondContact O-N 3.11Å; V1645-M1647 HydrophobicContact CG1-CB 4.35Å; V1645-F1704 HydrophobicContact CB-CE2 4.48Å; V1645-F1704 HydrophobicContact CG1-CD2 4.12Å; V1645-F1704 HydrophobicContact CG1-CE2 3.78Å; V1645-L1711 HydrophobicContact CB-CD2 3.91Å; V1645-L1711 HydrophobicContact CG1-CD2 3.81Å; V1645-L1711 VanDerWaalsContact CG1-CD2 3.4Å; V1645-L1711 HydrophobicContact CG2-CB 4.28Å; V1645-L1711 HydrophobicContact CG2-CD2 3.52Å; V1645-L1711 VanDerWaalsContact CG2-CD2 3.46Å; V1645-L1711 HydrophobicContact CG2-CG 4.38Å; V1645-S1712 PolarHBondContact N-O 3.26Å |
| 1646 | N | 64.5 | Low | 81.3 | Confident | 157.4 Ų | 157.4 | 73.1 Ų | 73.1 | 84% | 0.842 | 37% | 0.37 | S | S | * | . | trans | -82.2 | -23.6 | -175.7 | -65.6 | -11.1 | 0 | 0 | 0 | 114.7 | P1644 | P1644-N1646 PolarHBondContact O-N 2.92Å; P1644-N1646 PolarHBondContact O-OD1 3.07Å | ||
| 1647 | M | 76.8 | Confident | 80.7 | Confident | 71.4 Ų | 71.4 | 76.1 Ų | 76.1 | 35% | 0.352 | 40% | 0.401 | S | S | . | . | trans | -75.4 | 129.5 | -178.1 | -177.9 | 69.6 | 70.3 | 0 | 0 | 110 | V1645 E1651 A1652 F1704 | V1645-M1647 HydrophobicContact CG1-CB 4.35Å; M1647-E1651 WeakPolarHBondContact CA-OE2 3.32Å; M1647-E1651 HydrophobicContact SD-CB 3.53Å; M1647-E1651 VanDerWaalsContact SD-CB 3.55Å; M1647-E1651 WeakPolarHBondContact SD-CB 3.43Å; M1647-A1652 HydrophobicContact CG-CB 4.18Å; M1647-A1652 HydrophobicContact SD-CB 4.47Å; M1647-F1704 HydrophobicContact CB-CD2 3.93Å; M1647-F1704 HydrophobicContact CB-CE2 3.87Å; M1647-F1704 HydrophobicContact CB-CG 4.48Å; M1647-F1704 HydrophobicContact CB-CZ 4.4Å; M1647-F1704 HydrophobicContact CG-CD1 4.31Å; M1647-F1704 HydrophobicContact CG-CD2 4.05Å; M1647-F1704 HydrophobicContact CG-CE1 4.44Å; M1647-F1704 HydrophobicContact CG-CE2 4.2Å; M1647-F1704 HydrophobicContact CG-CG 4.13Å; M1647-F1704 HydrophobicContact CG-CZ 4.37Å; M1647-F1704 WeakPolarHBondContact O-CE2 3.4Å; M1647-F1704 WeakPolarHBondContact O-CZ 3.41Å | ||
| 1648 | S | 78.7 | Confident | 80.3 | Confident | 46.6 Ų | 46.6 | 71.5 Ų | 71.5 | 33% | 0.326 | 39% | 0.386 | S | S | . | . | trans | -88 | 160.7 | 174.8 | 73 | 0 | 0 | 0 | 0 | 112.4 | E1650 E1651 A1652 | S1648-E1650 VanDerWaalsContact C-N 3.29Å; S1648-E1650 PolarHBondContact O-N 2.99Å; S1648-E1651 WeakPolarHBondContact CB-OE2 3.34Å; S1648-E1651 PolarHBondContact N-OE2 3.27Å; S1648-E1651 PolarHBondContact O-N 3.26Å; S1648-E1651 WeakPolarHBondContact OG-CB 3.43Å; S1648-E1651 VanDerWaalsContact OG-CG 3.23Å; S1648-E1651 WeakPolarHBondContact OG-CG 3.34Å; S1648-E1651 PolarHBondContact OG-N 3.01Å; S1648-E1651 VanDerWaalsContact OG-N 3.13Å; S1648-E1651 PolarHBondContact OG-OE2 3.01Å; S1648-A1652 PolarHBondContact O-N 3.1Å; S1648-A1652 VanDerWaalsContact O-N 3.11Å | ||
| 1649 | Y | 78.8 | Confident | 80 | Confident | 67.4 Ų | 67.4 | 72.6 Ų | 72.6 | 26% | 0.264 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 175.7 | 177.7 | -107 | 0 | 0 | 0 | 112.2 | A1652 L1653 E1668 L1705 R1708 | Y1649-A1652 PolarHBondContact O-N 2.8Å; Y1649-L1653 HydrophobicContact CD1-CD1 3.92Å; Y1649-L1653 HydrophobicContact CD2-CD1 4.06Å; Y1649-L1653 HydrophobicContact CE1-CD1 3.4Å; Y1649-L1653 HydrophobicContact CE1-CD2 3.78Å; Y1649-L1653 HydrophobicContact CE1-CG 4.37Å; Y1649-L1653 HydrophobicContact CE2-CD1 3.92Å; Y1649-L1653 VanDerWaalsContact CE2-CD1 3.48Å; Y1649-L1653 HydrophobicContact CE2-CG 4.28Å; Y1649-L1653 HydrophobicContact CG-CD1 4.28Å; Y1649-L1653 VanDerWaalsContact CZ-CD1 3.43Å; Y1649-L1653 WeakPolarHBondContact O-CD1 3.26Å; Y1649-L1653 WeakPolarHBondContact O-CG 3.33Å; Y1649-L1653 PolarHBondContact O-N 3.19Å; Y1649-L1653 VanDerWaalsContact O-N 3.09Å; Y1649-E1668 WeakPolarHBondContact CE2-OE1 3.22Å; Y1649-E1668 PolarHBondContact OH-OE1 3.18Å; Y1649-E1668 VanDerWaalsContact OH-OE1 3.06Å; Y1649-L1705 HydrophobicContact CD2-CD2 3.5Å; Y1649-L1705 VanDerWaalsContact CD2-CD2 3.48Å; Y1649-L1705 HydrophobicContact CE2-CD2 3.56Å; Y1649-L1705 HydrophobicContact CG-CD2 4.49Å; Y1649-R1708 VanDerWaalsContact CE2-NH1 3.28Å |
| 1650 | E | 80.1 | Confident | 79.4 | Confident | 145.2 Ų | 145.2 | 75.2 Ų | 75.2 | 68% | 0.679 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -69 | -42.3 | 179.9 | -64.2 | 178.9 | 179.5 | 0 | 0 | 111.7 | S1648 A1652 L1653 G1654 | S1648-E1650 VanDerWaalsContact C-N 3.29Å; S1648-E1650 PolarHBondContact O-N 2.99Å; E1650-A1652 PolarHBondContact O-N 3.11Å; E1650-L1653 PolarHBondContact O-N 3.04Å; E1650-G1654 PolarHBondContact O-N 3.23Å |
| 1651 | E | 84.1 | Confident | 78.9 | Confident | 106 Ų | 106 | 77.9 Ų | 77.9 | 50% | 0.495 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.4 | -44 | 175.2 | -72.9 | 165.3 | 163 | 0 | 0 | 111.7 | M1647 S1648 L1653 G1654 E1655 | M1647-E1651 WeakPolarHBondContact CA-OE2 3.32Å; M1647-E1651 HydrophobicContact SD-CB 3.53Å; M1647-E1651 VanDerWaalsContact SD-CB 3.55Å; M1647-E1651 WeakPolarHBondContact SD-CB 3.43Å; S1648-E1651 WeakPolarHBondContact CB-OE2 3.34Å; S1648-E1651 PolarHBondContact N-OE2 3.27Å; S1648-E1651 PolarHBondContact O-N 3.26Å; S1648-E1651 WeakPolarHBondContact OG-CB 3.43Å; S1648-E1651 VanDerWaalsContact OG-CG 3.23Å; S1648-E1651 WeakPolarHBondContact OG-CG 3.34Å; S1648-E1651 PolarHBondContact OG-N 3.01Å; S1648-E1651 VanDerWaalsContact OG-N 3.13Å; S1648-E1651 PolarHBondContact OG-OE2 3.01Å; E1651-L1653 PolarHBondContact O-N 2.98Å; E1651-G1654 PolarHBondContact O-N 3.21Å; E1651-E1655 WeakPolarHBondContact O-CG 3.41Å; E1651-E1655 PolarHBondContact O-N 3.02Å |
| 1652 | A | 82.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -67.4 | -37.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | M1647 S1648 Y1649 E1650 E1655 L1656 A1701 F1704 L1705 | M1647-A1652 HydrophobicContact CG-CB 4.18Å; M1647-A1652 HydrophobicContact SD-CB 4.47Å; S1648-A1652 PolarHBondContact O-N 3.1Å; S1648-A1652 VanDerWaalsContact O-N 3.11Å; Y1649-A1652 PolarHBondContact O-N 2.8Å; E1650-A1652 PolarHBondContact O-N 3.11Å; A1652-E1655 PolarHBondContact O-N 3.12Å; A1652-L1656 PolarHBondContact O-N 3.25Å; A1652-A1701 HydrophobicContact CB-CB 4.2Å; A1652-F1704 HydrophobicContact CB-CB 4.46Å; A1652-F1704 HydrophobicContact CB-CD1 3.52Å; A1652-F1704 VanDerWaalsContact CB-CD1 3.47Å; A1652-F1704 HydrophobicContact CB-CE1 4.08Å; A1652-F1704 HydrophobicContact CB-CG 4.32Å; A1652-L1705 HydrophobicContact CB-CD1 4.22Å; A1652-L1705 HydrophobicContact CB-CD2 3.96Å; A1652-L1705 HydrophobicContact CB-CG 3.87Å |
| 1653 | L | 83.9 | Confident | 78.2 | Confident | 0.2 Ų | 0.2 | 74.7 Ų | 74.7 | 0% | 0.001 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 172.1 | -81.2 | 161.8 | 0 | 0 | 0 | 111.9 | Y1649 E1650 E1651 E1655 L1656 G1657 L1658 P1660 L1663 I1672 L1705 | Y1649-L1653 HydrophobicContact CD1-CD1 3.92Å; Y1649-L1653 HydrophobicContact CD2-CD1 4.06Å; Y1649-L1653 HydrophobicContact CE1-CD1 3.4Å; Y1649-L1653 HydrophobicContact CE1-CD2 3.78Å; Y1649-L1653 HydrophobicContact CE1-CG 4.37Å; Y1649-L1653 HydrophobicContact CE2-CD1 3.92Å; Y1649-L1653 VanDerWaalsContact CE2-CD1 3.48Å; Y1649-L1653 HydrophobicContact CE2-CG 4.28Å; Y1649-L1653 HydrophobicContact CG-CD1 4.28Å; Y1649-L1653 VanDerWaalsContact CZ-CD1 3.43Å; Y1649-L1653 WeakPolarHBondContact O-CD1 3.26Å; Y1649-L1653 WeakPolarHBondContact O-CG 3.33Å; Y1649-L1653 PolarHBondContact O-N 3.19Å; Y1649-L1653 VanDerWaalsContact O-N 3.09Å; E1650-L1653 PolarHBondContact O-N 3.04Å; E1651-L1653 PolarHBondContact O-N 2.98Å; L1653-E1655 VanDerWaalsContact C-N 3.32Å; L1653-E1655 PolarHBondContact O-N 2.97Å; L1653-L1656 CarbonylContact O-C 3.54Å; L1653-L1656 PolarHBondContact O-N 3.1Å; L1653-L1656 VanDerWaalsContact O-N 3.11Å; L1653-G1657 PolarHBondContact O-N 3.22Å; L1653-G1657 VanDerWaalsContact O-N 3.15Å; L1653-L1658 CarbonylContact C-O 3.25Å; L1653-L1658 HydrophobicContact CB-CB 4.45Å; L1653-L1658 HydrophobicContact CD2-CB 4.01Å; L1653-L1658 HydrophobicContact CD2-CD1 4.17Å; L1653-L1658 PolarHBondContact O-N 3.23Å; L1653-P1660 HydrophobicContact CD1-CB 3.81Å; L1653-P1660 HydrophobicContact CD1-CG 4.49Å; L1653-P1660 HydrophobicContact CD2-CB 3.83Å; L1653-L1663 HydrophobicContact CD1-CD1 3.73Å; L1653-L1663 HydrophobicContact CD2-CD1 3.4Å; L1653-L1663 VanDerWaalsContact CD2-CD1 3.44Å; L1653-L1663 HydrophobicContact CG-CD1 4.2Å; L1653-I1672 HydrophobicContact CD2-CD1 4.18Å; L1653-I1672 HydrophobicContact CD2-CG1 4.1Å; L1653-L1705 HydrophobicContact CD1-CD1 3.81Å; L1653-L1705 HydrophobicContact CD1-CD2 3.41Å; L1653-L1705 VanDerWaalsContact CD1-CD2 3.41Å; L1653-L1705 HydrophobicContact CD1-CG 4.26Å; L1653-L1705 HydrophobicContact CD2-CD1 3.93Å; L1653-L1705 HydrophobicContact CD2-CD2 4.09Å; L1653-L1705 HydrophobicContact CG-CD1 4.39Å; L1653-L1705 HydrophobicContact CG-CD2 4.08Å |
| 1654 | G | 84.6 | Confident | 78.2 | Confident | 49.6 Ų | 49.6 | 70.5 Ų | 70.5 | 51% | 0.511 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.7 | -41.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1650 E1651 L1656 G1657 | E1650-G1654 PolarHBondContact O-N 3.23Å; E1651-G1654 PolarHBondContact O-N 3.21Å; G1654-L1656 VanDerWaalsContact C-N 3.28Å; G1654-L1656 PolarHBondContact O-N 3.24Å; G1654-G1657 WeakPolarHBondContact O-CA 3.2Å; G1654-G1657 PolarHBondContact O-N 3.05Å |
| 1655 | E | 85.5 | Confident | 78.1 | Confident | 81.2 Ų | 81.2 | 72.3 Ų | 72.3 | 38% | 0.379 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.8 | -35 | 175.2 | -78.3 | -67.1 | 133.4 | 0 | 0 | 112.9 | E1651 A1652 L1653 G1657 K1694 S1697 L1698 A1701 | E1651-E1655 WeakPolarHBondContact O-CG 3.41Å; E1651-E1655 PolarHBondContact O-N 3.02Å; A1652-E1655 PolarHBondContact O-N 3.12Å; L1653-E1655 VanDerWaalsContact C-N 3.32Å; L1653-E1655 PolarHBondContact O-N 2.97Å; E1655-G1657 VanDerWaalsContact C-N 3.26Å; E1655-G1657 PolarHBondContact O-N 3.22Å; E1655-K1694 VanDerWaalsContact CD-NZ 3.26Å; E1655-K1694 IonicContact OE1-NZ 3.04Å; E1655-K1694 PolarHBondContact OE1-NZ 3.49Å; E1655-K1694 IonicContact OE2-NZ 2.72Å; E1655-K1694 PolarHBondContact OE2-NZ 3Å; E1655-S1697 VanDerWaalsContact CD-OG 3.31Å; E1655-S1697 WeakPolarHBondContact OE2-CB 3.43Å; E1655-S1697 PolarHBondContact OE2-OG 3.35Å; E1655-L1698 WeakPolarHBondContact O-CD2 3.25Å; E1655-A1701 HydrophobicContact CB-CB 3.73Å; E1655-A1701 HydrophobicContact CG-CB 4.4Å |
| 1656 | L | 82.5 | Confident | 78 | Confident | 5.2 Ų | 5.2 | 73.8 Ų | 73.8 | 3% | 0.027 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -4.6 | 174.3 | -72.5 | 168.2 | 0 | 0 | 0 | 113.5 | A1652 L1653 G1654 L1658 I1672 A1675 Y1676 L1698 L1705 | A1652-L1656 PolarHBondContact O-N 3.25Å; L1653-L1656 CarbonylContact O-C 3.54Å; L1653-L1656 PolarHBondContact O-N 3.1Å; L1653-L1656 VanDerWaalsContact O-N 3.11Å; G1654-L1656 VanDerWaalsContact C-N 3.28Å; G1654-L1656 PolarHBondContact O-N 3.24Å; L1656-L1658 VanDerWaalsContact C-N 3.29Å; L1656-L1658 HydrophobicContact CB-CD1 4.27Å; L1656-L1658 HydrophobicContact CB-CG 4.27Å; L1656-L1658 HydrophobicContact CD1-CD1 4.46Å; L1656-L1658 PolarHBondContact O-N 3.2Å; L1656-I1672 HydrophobicContact CD1-CG2 3.87Å; L1656-A1675 HydrophobicContact CB-CB 4.38Å; L1656-A1675 HydrophobicContact CD2-CB 4.5Å; L1656-Y1676 HydrophobicContact CD2-CD2 4.17Å; L1656-Y1676 HydrophobicContact CD2-CG 4.5Å; L1656-L1698 HydrophobicContact CD2-CD2 4.01Å; L1656-L1705 HydrophobicContact CD1-CD1 3.4Å; L1656-L1705 VanDerWaalsContact CD1-CD1 3.43Å; L1656-L1705 HydrophobicContact CG-CD1 4.49Å |
| 1657 | G | 81.6 | Confident | 78.4 | Confident | 63.4 Ų | 63.4 | 68.4 Ų | 68.4 | 65% | 0.654 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 28 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1653 G1654 E1655 | L1653-G1657 PolarHBondContact O-N 3.22Å; L1653-G1657 VanDerWaalsContact O-N 3.15Å; G1654-G1657 WeakPolarHBondContact O-CA 3.2Å; G1654-G1657 PolarHBondContact O-N 3.05Å; E1655-G1657 VanDerWaalsContact C-N 3.26Å; E1655-G1657 PolarHBondContact O-N 3.22Å |
| 1658 | L | 84 | Confident | 78.2 | Confident | 26.4 Ų | 26.4 | 66.8 Ų | 66.8 | 14% | 0.138 | 40% | 0.396 | C | S | . | . | trans | -101 | 131.5 | 178.3 | -72 | 175.7 | 0 | 0 | 0 | 110.8 | L1653 L1656 F1671 I1672 A1675 | L1653-L1658 CarbonylContact C-O 3.25Å; L1653-L1658 HydrophobicContact CB-CB 4.45Å; L1653-L1658 HydrophobicContact CD2-CB 4.01Å; L1653-L1658 HydrophobicContact CD2-CD1 4.17Å; L1653-L1658 PolarHBondContact O-N 3.23Å; L1656-L1658 VanDerWaalsContact C-N 3.29Å; L1656-L1658 HydrophobicContact CB-CD1 4.27Å; L1656-L1658 HydrophobicContact CB-CG 4.27Å; L1656-L1658 HydrophobicContact CD1-CD1 4.46Å; L1656-L1658 PolarHBondContact O-N 3.2Å; L1658-F1671 HydrophobicContact CD2-CB 4.48Å; L1658-F1671 HydrophobicContact CD2-CD1 4.49Å; L1658-I1672 HydrophobicContact CD1-CB 4.28Å; L1658-I1672 HydrophobicContact CD1-CG1 3.78Å; L1658-A1675 HydrophobicContact CD1-CB 3.8Å; L1658-A1675 HydrophobicContact CD2-CB 3.95Å; L1658-A1675 HydrophobicContact CG-CB 3.82Å | ||
| 1659 | D | 80.2 | Confident | 77.7 | Confident | 94.8 Ų | 94.8 | 68.7 Ų | 68.7 | 51% | 0.507 | 40% | 0.399 | S | S | . | . | trans | -83.2 | 124.6 | 172.9 | -109.1 | -33.7 | 0 | 0 | 0 | 110 | T1661 L1662 | D1659-T1661 PolarHBondContact O-N 3.2Å; D1659-T1661 VanDerWaalsContact O-N 3.1Å; D1659-T1661 WeakPolarHBondContact OD1-CB 3.48Å; D1659-T1661 PolarHBondContact OD1-N 3.29Å; D1659-T1661 PolarHBondContact OD1-OG1 3.27Å; D1659-T1661 PolarHBondContact OD2-OG1 3.46Å; D1659-L1662 HydrophobicContact CB-CD1 4.19Å; D1659-L1662 HydrophobicContact CB-CG 4.3Å; D1659-L1662 PolarHBondContact O-N 3.06Å; D1659-L1662 VanDerWaalsContact O-N 3.13Å | ||
| 1660 | P | 76 | Confident | 77.3 | Confident | 61 Ų | 61 | 68.9 Ų | 68.9 | 40% | 0.396 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -58.5 | -25.2 | -179.7 | 20.5 | -30.9 | 0 | 0 | 0 | 113.4 | L1653 L1662 L1663 | L1653-P1660 HydrophobicContact CD1-CB 3.81Å; L1653-P1660 HydrophobicContact CD1-CG 4.49Å; L1653-P1660 HydrophobicContact CD2-CB 3.83Å; P1660-L1662 VanDerWaalsContact C-N 3.3Å; P1660-L1662 PolarHBondContact O-N 3.08Å; P1660-L1663 PolarHBondContact O-N 3.21Å |
| 1661 | T | 77.1 | Confident | 77.1 | Confident | 119.8 Ų | 119.8 | 66.3 Ų | 66.3 | 74% | 0.735 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -71.8 | -20.7 | -179.2 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | D1659 | D1659-T1661 PolarHBondContact O-N 3.2Å; D1659-T1661 VanDerWaalsContact O-N 3.1Å; D1659-T1661 WeakPolarHBondContact OD1-CB 3.48Å; D1659-T1661 PolarHBondContact OD1-N 3.29Å; D1659-T1661 PolarHBondContact OD1-OG1 3.27Å; D1659-T1661 PolarHBondContact OD2-OG1 3.46Å |
| 1662 | L | 77 | Confident | 76.8 | Confident | 122.6 Ų | 122.6 | 61.6 Ų | 61.6 | 64% | 0.642 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -89.3 | -7.9 | 179.3 | -63.4 | 176.2 | 0 | 0 | 0 | 112.9 | D1659 P1660 N1667 | D1659-L1662 HydrophobicContact CB-CD1 4.19Å; D1659-L1662 HydrophobicContact CB-CG 4.3Å; D1659-L1662 PolarHBondContact O-N 3.06Å; D1659-L1662 VanDerWaalsContact O-N 3.13Å; P1660-L1662 VanDerWaalsContact C-N 3.3Å; P1660-L1662 PolarHBondContact O-N 3.08Å; L1662-N1667 PolarHBondContact O-ND2 3.09Å; L1662-N1667 VanDerWaalsContact O-ND2 3.14Å |
| 1663 | L | 75.8 | Confident | 76.3 | Confident | 25.4 Ų | 25.4 | 63.4 Ų | 63.4 | 13% | 0.133 | 38% | 0.382 | C | S | . | . | trans | -95.6 | 131 | -175.4 | -60.2 | 169.9 | 0 | 0 | 0 | 110.5 | L1653 P1660 N1667 E1668 F1671 | L1653-L1663 HydrophobicContact CD1-CD1 3.73Å; L1653-L1663 HydrophobicContact CD2-CD1 3.4Å; L1653-L1663 VanDerWaalsContact CD2-CD1 3.44Å; L1653-L1663 HydrophobicContact CG-CD1 4.2Å; P1660-L1663 PolarHBondContact O-N 3.21Å; L1663-N1667 WeakPolarHBondContact CA-OD1 3.49Å; L1663-E1668 HydrophobicContact CB-CG 4.44Å; L1663-E1668 HydrophobicContact CD1-CG 4.48Å; L1663-F1671 HydrophobicContact CD2-CB 3.67Å; L1663-F1671 HydrophobicContact CD2-CG 4.27Å | ||
| 1664 | N | 73.2 | Confident | 75.7 | Confident | 84.4 Ų | 84.4 | 71.3 Ų | 71.3 | 45% | 0.451 | 41% | 0.412 | S | S | . | . | trans | -122.9 | 162.8 | 168.6 | 55.7 | 29.7 | 0 | 0 | 0 | 109.3 | S1666 N1667 E1668 | N1664-S1666 PolarHBondContact O-N 3.28Å; N1664-S1666 VanDerWaalsContact O-N 3.07Å; N1664-S1666 WeakPolarHBondContact OD1-CA 3.23Å; N1664-S1666 WeakPolarHBondContact OD1-CB 3.43Å; N1664-S1666 PolarHBondContact OD1-N 2.9Å; N1664-S1666 VanDerWaalsContact OD1-N 3.11Å; N1664-S1666 PolarHBondContact OD1-OG 3.44Å; N1664-N1667 WeakPolarHBondContact CA-OD1 3.41Å; N1664-N1667 PolarHBondContact N-OD1 3.26Å; N1664-N1667 PolarHBondContact ND2-ND2 3.15Å; N1664-N1667 VanDerWaalsContact ND2-ND2 3.18Å; N1664-N1667 PolarHBondContact O-N 3.14Å; N1664-N1667 VanDerWaalsContact O-N 3.09Å; N1664-N1667 PolarHBondContact O-OD1 3.2Å; N1664-N1667 WeakPolarHBondContact OD1-CB 3.44Å; N1664-N1667 VanDerWaalsContact OD1-CG 3.28Å; N1664-N1667 PolarHBondContact OD1-N 2.93Å; N1664-N1667 PolarHBondContact OD1-ND2 3.24Å; N1664-N1667 PolarHBondContact OD1-OD1 3.1Å; N1664-E1668 VanDerWaalsContact O-CB 3.31Å; N1664-E1668 WeakPolarHBondContact O-CB 3.28Å; N1664-E1668 PolarHBondContact O-N 3.16Å | ||
| 1665 | S | 65.8 | Low | 75.5 | Confident | 120.2 Ų | 120.2 | 69.4 Ų | 69.4 | 84% | 0.841 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -26.3 | -176.9 | 56 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1666 | S | 65.9 | Low | 75.2 | Confident | 102.6 Ų | 102.6 | 66.4 Ų | 66.4 | 72% | 0.717 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -26.8 | 179.4 | 137.4 | 0 | 0 | 0 | 0 | 113.7 | N1664 | N1664-S1666 PolarHBondContact O-N 3.28Å; N1664-S1666 VanDerWaalsContact O-N 3.07Å; N1664-S1666 WeakPolarHBondContact OD1-CA 3.23Å; N1664-S1666 WeakPolarHBondContact OD1-CB 3.43Å; N1664-S1666 PolarHBondContact OD1-N 2.9Å; N1664-S1666 VanDerWaalsContact OD1-N 3.11Å; N1664-S1666 PolarHBondContact OD1-OG 3.44Å |
| 1667 | N | 72.3 | Confident | 74.7 | Confident | 42.6 Ų | 42.6 | 70.4 Ų | 70.4 | 23% | 0.228 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -19.8 | -171.5 | 34.2 | -1.8 | 0 | 0 | 0 | 113 | L1662 L1663 N1664 E1669 S1670 F1671 | L1662-N1667 PolarHBondContact O-ND2 3.09Å; L1662-N1667 VanDerWaalsContact O-ND2 3.14Å; L1663-N1667 WeakPolarHBondContact CA-OD1 3.49Å; N1664-N1667 WeakPolarHBondContact CA-OD1 3.41Å; N1664-N1667 PolarHBondContact N-OD1 3.26Å; N1664-N1667 PolarHBondContact ND2-ND2 3.15Å; N1664-N1667 VanDerWaalsContact ND2-ND2 3.18Å; N1664-N1667 PolarHBondContact O-N 3.14Å; N1664-N1667 VanDerWaalsContact O-N 3.09Å; N1664-N1667 PolarHBondContact O-OD1 3.2Å; N1664-N1667 WeakPolarHBondContact OD1-CB 3.44Å; N1664-N1667 VanDerWaalsContact OD1-CG 3.28Å; N1664-N1667 PolarHBondContact OD1-N 2.93Å; N1664-N1667 PolarHBondContact OD1-ND2 3.24Å; N1664-N1667 PolarHBondContact OD1-OD1 3.1Å; N1667-E1669 PolarHBondContact O-N 3Å; N1667-S1670 WeakPolarHBondContact O-CB 3.48Å; N1667-S1670 PolarHBondContact O-N 2.99Å; N1667-S1670 PolarHBondContact O-OG 3.4Å; N1667-F1671 HydrophobicContact CB-CD2 3.75Å; N1667-F1671 HydrophobicContact CB-CE2 3.82Å; N1667-F1671 WeakPolarHBondContact O-CD2 3.4Å; N1667-F1671 PolarHBondContact O-N 3.15Å; N1667-F1671 VanDerWaalsContact O-N 3.12Å |
| 1668 | E | 72.1 | Confident | 74.5 | Confident | 39.2 Ų | 39.2 | 72.5 Ų | 72.5 | 18% | 0.183 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -47.6 | -55.1 | -172.2 | -176.2 | -179 | 170.3 | 0 | 0 | 112.5 | Y1649 L1663 N1664 S1670 F1671 I1672 R1708 | Y1649-E1668 WeakPolarHBondContact CE2-OE1 3.22Å; Y1649-E1668 PolarHBondContact OH-OE1 3.18Å; Y1649-E1668 VanDerWaalsContact OH-OE1 3.06Å; L1663-E1668 HydrophobicContact CB-CG 4.44Å; L1663-E1668 HydrophobicContact CD1-CG 4.48Å; N1664-E1668 VanDerWaalsContact O-CB 3.31Å; N1664-E1668 WeakPolarHBondContact O-CB 3.28Å; N1664-E1668 PolarHBondContact O-N 3.16Å; E1668-S1670 VanDerWaalsContact C-N 3.31Å; E1668-S1670 PolarHBondContact O-N 3.14Å; E1668-F1671 PolarHBondContact O-N 3.01Å; E1668-I1672 HydrophobicContact CG-CD1 3.57Å; E1668-I1672 HydrophobicContact CG-CG1 4.4Å; E1668-I1672 WeakPolarHBondContact O-CB 3.41Å; E1668-I1672 WeakPolarHBondContact O-CD1 3.36Å; E1668-I1672 VanDerWaalsContact O-CG1 3.24Å; E1668-I1672 WeakPolarHBondContact O-CG1 3.41Å; E1668-I1672 PolarHBondContact O-N 3.02Å; E1668-R1708 VanDerWaalsContact CD-NH2 3.34Å; E1668-R1708 IonicContact OE1-CZ 3.82Å; E1668-R1708 IonicContact OE1-NH1 3.46Å; E1668-R1708 PolarHBondContact OE1-NH1 3.28Å; E1668-R1708 IonicContact OE1-NH2 3.29Å; E1668-R1708 PolarHBondContact OE1-NH2 2.99Å; E1668-R1708 IonicContact OE2-NH1 2.72Å; E1668-R1708 IonicContact OE2-NH2 3.38Å; E1668-R1708 PolarHBondContact OE2-NH2 3.14Å |
| 1669 | E | 69.6 | Low | 74.3 | Confident | 85.4 Ų | 85.4 | 73.4 Ų | 73.4 | 40% | 0.399 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | -177.4 | -172.7 | 176.1 | -178.5 | 0 | 0 | 112.7 | R1564 N1667 R1673 | R1564-E1669 IonicContact CZ-OE1 2.98Å; R1564-E1669 VanDerWaalsContact CZ-OE1 3.24Å; R1564-E1669 IonicContact NE-OE1 3.49Å; R1564-E1669 PolarHBondContact NE-OE1 3.14Å; R1564-E1669 IonicContact NH1-OE1 3.2Å; R1564-E1669 PolarHBondContact NH1-OE1 3.04Å; R1564-E1669 IonicContact NH1-OE2 2.87Å; R1564-E1669 PolarHBondContact NH1-OE2 3.45Å; R1564-E1669 IonicContact NH2-OE1 3.14Å; N1667-E1669 PolarHBondContact O-N 3Å; E1669-R1673 VanDerWaalsContact O-CB 3.3Å; E1669-R1673 WeakPolarHBondContact O-CB 3.35Å; E1669-R1673 WeakPolarHBondContact O-CD 3.37Å; E1669-R1673 VanDerWaalsContact O-CG 3.27Å; E1669-R1673 WeakPolarHBondContact O-CG 3.31Å; E1669-R1673 PolarHBondContact O-N 3.02Å; E1669-R1673 VanDerWaalsContact O-N 3.09Å; E1669-R1673 IonicContact OE1-CZ 3.15Å; E1669-R1673 VanDerWaalsContact OE1-CZ 3.27Å; E1669-R1673 IonicContact OE1-NE 3.14Å; E1669-R1673 IonicContact OE1-NH1 2.96Å; E1669-R1673 PolarHBondContact OE1-NH1 2.92Å; E1669-R1673 IonicContact OE1-NH2 2.82Å; E1669-R1673 PolarHBondContact OE1-NH2 3.02Å |
| 1670 | S | 68.6 | Low | 74 | Confident | 72 Ų | 72 | 69.3 Ų | 69.3 | 50% | 0.503 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -70.7 | -40.4 | -179 | 30.4 | 0 | 0 | 0 | 0 | 112.1 | N1667 E1668 R1674 | N1667-S1670 WeakPolarHBondContact O-CB 3.48Å; N1667-S1670 PolarHBondContact O-N 2.99Å; N1667-S1670 PolarHBondContact O-OG 3.4Å; E1668-S1670 VanDerWaalsContact C-N 3.31Å; E1668-S1670 PolarHBondContact O-N 3.14Å; S1670-R1674 VanDerWaalsContact O-CB 3.31Å; S1670-R1674 WeakPolarHBondContact O-CB 3.4Å; S1670-R1674 PolarHBondContact O-N 3.09Å |
| 1671 | F | 76.6 | Confident | 73.8 | Confident | 90 Ų | 90 | 68.6 Ų | 68.6 | 40% | 0.395 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.5 | -45.3 | 178.1 | -86.5 | -94.5 | 0 | 0 | 0 | 111.8 | L1658 L1663 N1667 E1668 R1673 R1674 A1675 | L1658-F1671 HydrophobicContact CD2-CB 4.48Å; L1658-F1671 HydrophobicContact CD2-CD1 4.49Å; L1663-F1671 HydrophobicContact CD2-CB 3.67Å; L1663-F1671 HydrophobicContact CD2-CG 4.27Å; N1667-F1671 HydrophobicContact CB-CD2 3.75Å; N1667-F1671 HydrophobicContact CB-CE2 3.82Å; N1667-F1671 WeakPolarHBondContact O-CD2 3.4Å; N1667-F1671 PolarHBondContact O-N 3.15Å; N1667-F1671 VanDerWaalsContact O-N 3.12Å; E1668-F1671 PolarHBondContact O-N 3.01Å; F1671-R1673 VanDerWaalsContact C-N 3.3Å; F1671-R1673 PolarHBondContact O-N 3.01Å; F1671-R1674 PolarHBondContact O-N 3.03Å; F1671-A1675 WeakPolarHBondContact O-CB 3.37Å; F1671-A1675 PolarHBondContact O-N 3.17Å |
| 1672 | I | 78 | Confident | 73.8 | Confident | 6.8 Ų | 6.8 | 68.9 Ų | 68.9 | 4% | 0.035 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.5 | -44.8 | 175.8 | -68 | 171.2 | 0 | 0 | 0 | 110.5 | L1653 L1656 L1658 E1668 Y1676 Y1702 L1705 | L1653-I1672 HydrophobicContact CD2-CD1 4.18Å; L1653-I1672 HydrophobicContact CD2-CG1 4.1Å; L1656-I1672 HydrophobicContact CD1-CG2 3.87Å; L1658-I1672 HydrophobicContact CD1-CB 4.28Å; L1658-I1672 HydrophobicContact CD1-CG1 3.78Å; E1668-I1672 HydrophobicContact CG-CD1 3.57Å; E1668-I1672 HydrophobicContact CG-CG1 4.4Å; E1668-I1672 WeakPolarHBondContact O-CB 3.41Å; E1668-I1672 WeakPolarHBondContact O-CD1 3.36Å; E1668-I1672 VanDerWaalsContact O-CG1 3.24Å; E1668-I1672 WeakPolarHBondContact O-CG1 3.41Å; E1668-I1672 PolarHBondContact O-N 3.02Å; I1672-Y1676 VanDerWaalsContact O-CB 3.29Å; I1672-Y1676 WeakPolarHBondContact O-CB 3.32Å; I1672-Y1676 PolarHBondContact O-N 3.18Å; I1672-Y1702 HydrophobicContact CG2-CD2 3.58Å; I1672-Y1702 VanDerWaalsContact CG2-CD2 3.5Å; I1672-Y1702 HydrophobicContact CG2-CE2 3.8Å; I1672-L1705 HydrophobicContact CD1-CB 4.21Å; I1672-L1705 HydrophobicContact CD1-CD1 4.14Å; I1672-L1705 HydrophobicContact CD1-CD2 4.45Å; I1672-L1705 HydrophobicContact CG1-CD1 4.32Å; I1672-L1705 HydrophobicContact CG2-CB 4.18Å; I1672-L1705 HydrophobicContact CG2-CD1 3.94Å |
| 1673 | R | 71.9 | Confident | 73.7 | Confident | 38.6 Ų | 38.6 | 65 Ų | 65 | 15% | 0.146 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.3 | -48.7 | 175.3 | -83.9 | 175.5 | -176.8 | -176.8 | 7.7 | 113.3 | R1564 S1567 E1669 F1671 A1675 Y1676 Y1677 Y1702 | R1564-R1673 VanDerWaalsContact NH2-NH2 3.15Å; S1567-R1673 VanDerWaalsContact CB-NH1 3.27Å; E1669-R1673 VanDerWaalsContact O-CB 3.3Å; E1669-R1673 WeakPolarHBondContact O-CB 3.35Å; E1669-R1673 WeakPolarHBondContact O-CD 3.37Å; E1669-R1673 VanDerWaalsContact O-CG 3.27Å; E1669-R1673 WeakPolarHBondContact O-CG 3.31Å; E1669-R1673 PolarHBondContact O-N 3.02Å; E1669-R1673 VanDerWaalsContact O-N 3.09Å; E1669-R1673 IonicContact OE1-CZ 3.15Å; E1669-R1673 VanDerWaalsContact OE1-CZ 3.27Å; E1669-R1673 IonicContact OE1-NE 3.14Å; E1669-R1673 IonicContact OE1-NH1 2.96Å; E1669-R1673 PolarHBondContact OE1-NH1 2.92Å; E1669-R1673 IonicContact OE1-NH2 2.82Å; E1669-R1673 PolarHBondContact OE1-NH2 3.02Å; F1671-R1673 VanDerWaalsContact C-N 3.3Å; F1671-R1673 PolarHBondContact O-N 3.01Å; R1673-A1675 VanDerWaalsContact C-N 3.35Å; R1673-A1675 PolarHBondContact O-N 3.25Å; R1673-Y1676 PolarHBondContact O-N 3.2Å; R1673-Y1677 WeakPolarHBondContact O-CB 3.38Å; R1673-Y1677 PolarHBondContact O-N 3.28Å; R1673-Y1702 HydrophobicContact CG-CE2 3.99Å; R1673-Y1702 VanDerWaalsContact CG-OH 3.3Å; R1673-Y1702 WeakPolarHBondContact CG-OH 3.39Å; R1673-Y1702 PolarHBondContact NE-OH 3.29Å |
| 1674 | R | 72 | Confident | 73.5 | Confident | 165.6 Ų | 165.6 | 66.4 Ų | 66.4 | 63% | 0.625 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.5 | -43.5 | -178.2 | -174.9 | 176.5 | -163.3 | 173.7 | 0.7 | 111.2 | S1670 F1671 Y1677 Q1678 | S1670-R1674 VanDerWaalsContact O-CB 3.31Å; S1670-R1674 WeakPolarHBondContact O-CB 3.4Å; S1670-R1674 PolarHBondContact O-N 3.09Å; F1671-R1674 PolarHBondContact O-N 3.03Å; R1674-Y1677 PolarHBondContact O-N 3.21Å; R1674-Q1678 HydrophobicContact CG-CG 4.5Å; R1674-Q1678 WeakPolarHBondContact O-CB 3.34Å; R1674-Q1678 VanDerWaalsContact O-CG 3.26Å; R1674-Q1678 WeakPolarHBondContact O-CG 3.27Å; R1674-Q1678 PolarHBondContact O-N 3.09Å |
| 1675 | A | 79.7 | Confident | 73.3 | Confident | 9.6 Ų | 9.6 | 64.6 Ų | 64.6 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.1 | -48 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | L1656 L1658 F1671 R1673 Y1677 Q1678 M1679 | L1656-A1675 HydrophobicContact CB-CB 4.38Å; L1656-A1675 HydrophobicContact CD2-CB 4.5Å; L1658-A1675 HydrophobicContact CD1-CB 3.8Å; L1658-A1675 HydrophobicContact CD2-CB 3.95Å; L1658-A1675 HydrophobicContact CG-CB 3.82Å; F1671-A1675 WeakPolarHBondContact O-CB 3.37Å; F1671-A1675 PolarHBondContact O-N 3.17Å; R1673-A1675 VanDerWaalsContact C-N 3.35Å; R1673-A1675 PolarHBondContact O-N 3.25Å; A1675-Y1677 PolarHBondContact O-N 2.94Å; A1675-Q1678 PolarHBondContact O-N 3.26Å; A1675-M1679 VanDerWaalsContact O-CB 3.29Å; A1675-M1679 WeakPolarHBondContact O-CB 3.31Å; A1675-M1679 WeakPolarHBondContact O-CG 3.34Å; A1675-M1679 PolarHBondContact O-N 3.03Å |
| 1676 | Y | 80.2 | Confident | 73.3 | Confident | 18.2 Ų | 18.2 | 65.3 Ų | 65.3 | 7% | 0.071 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 176.3 | 177.2 | -108.6 | 0 | 0 | 0 | 112.2 | L1656 I1672 R1673 M1679 S1680 L1698 T1699 Y1702 | L1656-Y1676 HydrophobicContact CD2-CD2 4.17Å; L1656-Y1676 HydrophobicContact CD2-CG 4.5Å; I1672-Y1676 VanDerWaalsContact O-CB 3.29Å; I1672-Y1676 WeakPolarHBondContact O-CB 3.32Å; I1672-Y1676 PolarHBondContact O-N 3.18Å; R1673-Y1676 PolarHBondContact O-N 3.2Å; Y1676-M1679 PolarHBondContact O-N 3.12Å; Y1676-S1680 WeakPolarHBondContact CD2-OG 3.46Å; Y1676-S1680 WeakPolarHBondContact CE1-OG 3.37Å; Y1676-S1680 WeakPolarHBondContact CE2-OG 3.32Å; Y1676-S1680 VanDerWaalsContact CZ-OG 3.24Å; Y1676-S1680 WeakPolarHBondContact O-CA 3.39Å; Y1676-S1680 WeakPolarHBondContact O-CB 3.35Å; Y1676-S1680 PolarHBondContact O-N 3.18Å; Y1676-S1680 PolarHBondContact O-OG 3.14Å; Y1676-L1698 HydrophobicContact CD2-CB 4.48Å; Y1676-L1698 HydrophobicContact CE2-CB 4.44Å; Y1676-T1699 PolarHBondContact OH-OG1 3.17Å; Y1676-Y1702 VanDerWaalsContact CB-CD2 3.43Å; Y1676-Y1702 AromaticContact CD1-CD1 3.43Å; Y1676-Y1702 HydrophobicContact CD1-CD1 3.43Å; Y1676-Y1702 VanDerWaalsContact CD1-CD1 3.41Å; Y1676-Y1702 HydrophobicContact CD1-CD2 4.23Å; Y1676-Y1702 AromaticContact CD1-CE1 3.5Å; Y1676-Y1702 HydrophobicContact CD1-CE1 3.5Å; Y1676-Y1702 VanDerWaalsContact CD1-CE1 3.44Å; Y1676-Y1702 HydrophobicContact CD1-CE2 4.29Å; Y1676-Y1702 AromaticContact CD1-CG 3.81Å; Y1676-Y1702 HydrophobicContact CD1-CG 3.81Å; Y1676-Y1702 AromaticContact CD1-CZ 3.95Å; Y1676-Y1702 VanDerWaalsContact CD2-CB 3.43Å; Y1676-Y1702 AromaticContact CD2-CD1 3.77Å; Y1676-Y1702 HydrophobicContact CD2-CD1 3.86Å; Y1676-Y1702 HydrophobicContact CD2-CD2 4.34Å; Y1676-Y1702 AromaticContact CD2-CG 3.64Å; Y1676-Y1702 HydrophobicContact CD2-CG 3.64Å; Y1676-Y1702 AromaticContact CE1-CD1 3.56Å; Y1676-Y1702 HydrophobicContact CE1-CD1 3.56Å; Y1676-Y1702 VanDerWaalsContact CE1-CD1 3.41Å; Y1676-Y1702 AromaticContact CE1-CE1 3.74Å; Y1676-Y1702 HydrophobicContact CE1-CE1 3.74Å; Y1676-Y1702 HydrophobicContact CE1-CG 4.29Å; Y1676-Y1702 AromaticContact CE2-CD1 3.91Å; Y1676-Y1702 HydrophobicContact CE2-CD1 4Å; Y1676-Y1702 HydrophobicContact CE2-CG 4.15Å; Y1676-Y1702 AromaticContact CG-CD1 3.57Å; Y1676-Y1702 HydrophobicContact CG-CD1 3.57Å; Y1676-Y1702 AromaticContact CG-CD2 3.8Å; Y1676-Y1702 HydrophobicContact CG-CD2 3.8Å; Y1676-Y1702 AromaticContact CG-CE1 3.9Å; Y1676-Y1702 HydrophobicContact CG-CE1 4.03Å; Y1676-Y1702 HydrophobicContact CG-CE2 4.28Å; Y1676-Y1702 AromaticContact CG-CG 3.43Å; Y1676-Y1702 HydrophobicContact CG-CG 3.43Å; Y1676-Y1702 VanDerWaalsContact CG-CG 3.44Å; Y1676-Y1702 AromaticContact CZ-CD1 3.8Å |
| 1677 | Y | 72.1 | Confident | 73.3 | Confident | 89 Ų | 89 | 65.9 Ų | 65.9 | 35% | 0.349 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.3 | -49.2 | 177.8 | 179.1 | -84.5 | 0 | 0 | 0 | 111.6 | D1571 I1587 R1673 R1674 A1675 M1679 S1680 M1681 | D1571-Y1677 PolarHBondContact OD2-OH 3.25Å; I1587-Y1677 HydrophobicContact CD1-CD2 3.39Å; I1587-Y1677 VanDerWaalsContact CD1-CD2 3.43Å; I1587-Y1677 HydrophobicContact CD1-CE2 3.12Å; I1587-Y1677 HydrophobicContact CD1-CG 4.39Å; R1673-Y1677 WeakPolarHBondContact O-CB 3.38Å; R1673-Y1677 PolarHBondContact O-N 3.28Å; R1674-Y1677 PolarHBondContact O-N 3.21Å; A1675-Y1677 PolarHBondContact O-N 2.94Å; Y1677-M1679 PolarHBondContact O-N 3.12Å; Y1677-S1680 PolarHBondContact O-N 3.12Å; Y1677-M1681 HydrophobicContact CD1-CG 4.26Å; Y1677-M1681 HydrophobicContact CE1-CG 3.93Å; Y1677-M1681 WeakPolarHBondContact O-CB 3.39Å; Y1677-M1681 VanDerWaalsContact O-CG 3.32Å; Y1677-M1681 WeakPolarHBondContact O-CG 3.35Å; Y1677-M1681 PolarHBondContact O-N 3.14Å |
| 1678 | Q | 76.9 | Confident | 73.3 | Confident | 109.2 Ų | 109.2 | 67 Ų | 67 | 51% | 0.51 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | -179.9 | -73.1 | 176.3 | -8 | 0 | 0 | 111.6 | R1674 A1675 M1681 K1682 | R1674-Q1678 HydrophobicContact CG-CG 4.5Å; R1674-Q1678 WeakPolarHBondContact O-CB 3.34Å; R1674-Q1678 VanDerWaalsContact O-CG 3.26Å; R1674-Q1678 WeakPolarHBondContact O-CG 3.27Å; R1674-Q1678 PolarHBondContact O-N 3.09Å; A1675-Q1678 PolarHBondContact O-N 3.26Å; Q1678-M1681 PolarHBondContact O-N 3.18Å; Q1678-K1682 WeakPolarHBondContact O-CB 3.33Å; Q1678-K1682 PolarHBondContact O-N 3.34Å; Q1678-K1682 VanDerWaalsContact O-N 3.11Å |
| 1679 | M | 79.6 | Confident | 73.3 | Confident | 45.2 Ų | 45.2 | 70 Ų | 70 | 22% | 0.223 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.5 | -39.6 | 179.7 | -66.7 | -67.4 | -87.6 | 0 | 0 | 111.5 | A1675 Y1676 Y1677 M1681 K1682 Y1683 L1698 | A1675-M1679 VanDerWaalsContact O-CB 3.29Å; A1675-M1679 WeakPolarHBondContact O-CB 3.31Å; A1675-M1679 WeakPolarHBondContact O-CG 3.34Å; A1675-M1679 PolarHBondContact O-N 3.03Å; Y1676-M1679 PolarHBondContact O-N 3.12Å; Y1677-M1679 PolarHBondContact O-N 3.12Å; M1679-M1681 VanDerWaalsContact C-N 3.33Å; M1679-M1681 PolarHBondContact O-N 3.04Å; M1679-K1682 WeakPolarHBondContact O-CB 3.42Å; M1679-K1682 PolarHBondContact O-N 3.23Å; M1679-K1682 VanDerWaalsContact O-N 3.12Å; M1679-Y1683 HydrophobicContact CE-CD2 4.42Å; M1679-Y1683 HydrophobicContact CE-CE2 3.67Å; M1679-Y1683 VanDerWaalsContact O-CD2 3.29Å; M1679-Y1683 WeakPolarHBondContact O-CD2 3.28Å; M1679-Y1683 PolarHBondContact O-N 3.18Å; M1679-Y1683 HydrophobicContact SD-CE2 4.02Å; M1679-L1698 HydrophobicContact CB-CD1 3.7Å; M1679-L1698 HydrophobicContact CB-CD2 3.88Å; M1679-L1698 HydrophobicContact CB-CG 4.41Å; M1679-L1698 HydrophobicContact CE-CD1 4.45Å; M1679-L1698 HydrophobicContact CE-CD2 4.07Å; M1679-L1698 HydrophobicContact CG-CD2 4.29Å |
| 1680 | S | 74.1 | Confident | 73.5 | Confident | 7.4 Ų | 7.4 | 73.4 Ų | 73.4 | 5% | 0.052 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 173.2 | -70.3 | 0 | 0 | 0 | 0 | 111.6 | Y1676 Y1677 K1682 Y1683 H1684 | Y1676-S1680 WeakPolarHBondContact CD2-OG 3.46Å; Y1676-S1680 WeakPolarHBondContact CE1-OG 3.37Å; Y1676-S1680 WeakPolarHBondContact CE2-OG 3.32Å; Y1676-S1680 VanDerWaalsContact CZ-OG 3.24Å; Y1676-S1680 WeakPolarHBondContact O-CA 3.39Å; Y1676-S1680 WeakPolarHBondContact O-CB 3.35Å; Y1676-S1680 PolarHBondContact O-N 3.18Å; Y1676-S1680 PolarHBondContact O-OG 3.14Å; Y1677-S1680 PolarHBondContact O-N 3.12Å; S1680-K1682 VanDerWaalsContact C-N 3.27Å; S1680-K1682 PolarHBondContact O-N 3.04Å; S1680-Y1683 PolarHBondContact O-N 3.24Å; S1680-H1684 WeakPolarHBondContact O-CA 3.35Å; S1680-H1684 VanDerWaalsContact O-CB 3.31Å; S1680-H1684 WeakPolarHBondContact O-CB 3.42Å; S1680-H1684 PolarHBondContact O-N 3Å |
| 1681 | M | 71.2 | Confident | 73.7 | Confident | 45.8 Ų | 45.8 | 70.2 Ų | 70.2 | 23% | 0.226 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.6 | -29 | 176.2 | -78.9 | -64.4 | -69.2 | 0 | 0 | 113.3 | I1587 Y1677 Q1678 M1679 | I1587-M1681 HydrophobicContact CD1-SD 4.3Å; Y1677-M1681 HydrophobicContact CD1-CG 4.26Å; Y1677-M1681 HydrophobicContact CE1-CG 3.93Å; Y1677-M1681 WeakPolarHBondContact O-CB 3.39Å; Y1677-M1681 VanDerWaalsContact O-CG 3.32Å; Y1677-M1681 WeakPolarHBondContact O-CG 3.35Å; Y1677-M1681 PolarHBondContact O-N 3.14Å; Q1678-M1681 PolarHBondContact O-N 3.18Å; M1679-M1681 VanDerWaalsContact C-N 3.33Å; M1679-M1681 PolarHBondContact O-N 3.04Å |
| 1682 | K | 76.4 | Confident | 73.7 | Confident | 126.6 Ų | 126.6 | 72.5 Ų | 72.5 | 55% | 0.55 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -79 | -41.4 | 177.8 | -174.6 | 175.5 | 179.5 | 177.6 | 0 | 112.5 | Q1678 M1679 S1680 N1688 | Q1678-K1682 WeakPolarHBondContact O-CB 3.33Å; Q1678-K1682 PolarHBondContact O-N 3.34Å; Q1678-K1682 VanDerWaalsContact O-N 3.11Å; M1679-K1682 WeakPolarHBondContact O-CB 3.42Å; M1679-K1682 PolarHBondContact O-N 3.23Å; M1679-K1682 VanDerWaalsContact O-N 3.12Å; S1680-K1682 VanDerWaalsContact C-N 3.27Å; S1680-K1682 PolarHBondContact O-N 3.04Å; K1682-N1688 PolarHBondContact O-ND2 3.05Å |
| 1683 | Y | 76.1 | Confident | 73.8 | Confident | 41.4 Ų | 41.4 | 79.9 Ų | 79.9 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -103.5 | 8.3 | -174.9 | -64 | -72.4 | 0 | 0 | 0 | 114.2 | M1679 S1680 K1694 L1698 | M1679-Y1683 HydrophobicContact CE-CD2 4.42Å; M1679-Y1683 HydrophobicContact CE-CE2 3.67Å; M1679-Y1683 VanDerWaalsContact O-CD2 3.29Å; M1679-Y1683 WeakPolarHBondContact O-CD2 3.28Å; M1679-Y1683 PolarHBondContact O-N 3.18Å; M1679-Y1683 HydrophobicContact SD-CE2 4.02Å; S1680-Y1683 PolarHBondContact O-N 3.24Å; Y1683-K1694 HydrophobicContact CD1-CB 4.07Å; Y1683-K1694 HydrophobicContact CD1-CD 3.96Å; Y1683-K1694 HydrophobicContact CD1-CG 4.17Å; Y1683-K1694 HydrophobicContact CD2-CG 4.23Å; Y1683-K1694 HydrophobicContact CE1-CB 4.44Å; Y1683-K1694 HydrophobicContact CE1-CD 3.5Å; Y1683-K1694 VanDerWaalsContact CE1-CD 3.48Å; Y1683-K1694 HydrophobicContact CE1-CG 4.15Å; Y1683-K1694 HydrophobicContact CE2-CD 4.43Å; Y1683-K1694 HydrophobicContact CE2-CG 4.2Å; Y1683-K1694 HydrophobicContact CG-CB 4.16Å; Y1683-K1694 HydrophobicContact CG-CG 4.22Å; Y1683-L1698 HydrophobicContact CD2-CD1 3.61Å; Y1683-L1698 HydrophobicContact CE2-CD1 4.29Å; Y1683-L1698 HydrophobicContact CG-CD1 4.34Å |
| 1684 | H | 71.9 | Confident | 74.2 | Confident | 55.6 Ų | 55.6 | 83.2 Ų | 83.2 | 26% | 0.257 | 39% | 0.394 | S | S | . | . | trans | -54.3 | 131 | 178.2 | -167 | -84.2 | 0 | 0 | 0 | 111.1 | S1680 D1686 K1687 N1688 | S1680-H1684 WeakPolarHBondContact O-CA 3.35Å; S1680-H1684 VanDerWaalsContact O-CB 3.31Å; S1680-H1684 WeakPolarHBondContact O-CB 3.42Å; S1680-H1684 PolarHBondContact O-N 3Å; H1684-D1686 VanDerWaalsContact C-N 3.28Å; H1684-D1686 IonicContact CE1-OD1 3.01Å; H1684-D1686 IonicContact CE1-OD2 3.67Å; H1684-D1686 PolarHBondContact CE1-OD2 3.27Å; H1684-D1686 VanDerWaalsContact CE1-OD2 3.28Å; H1684-D1686 WeakPolarHBondContact ND1-CB 3.31Å; H1684-D1686 PolarHBondContact ND1-N 3.05Å; H1684-D1686 IonicContact ND1-OD2 3.28Å; H1684-D1686 PolarHBondContact O-N 3.13Å; H1684-D1686 VanDerWaalsContact O-N 3.11Å; H1684-K1687 PolarHBondContact O-N 3.12Å; H1684-N1688 PolarHBondContact O-N 3.2Å | ||
| 1685 | P | 68.9 | Low | 74.5 | Confident | 45 Ų | 45 | 76.8 Ų | 76.8 | 29% | 0.292 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -34.9 | -172.9 | -0.5 | -5.3 | 0 | 0 | 0 | 114.3 | K1687 N1688 R1692 | P1685-K1687 VanDerWaalsContact C-N 3.32Å; P1685-K1687 PolarHBondContact O-N 3.2Å; P1685-N1688 CarbonylContact O-C 3.51Å; P1685-N1688 VanDerWaalsContact O-C 3.29Å; P1685-N1688 PolarHBondContact O-N 2.79Å; P1685-R1692 HydrophobicContact CG-CG 4.44Å |
| 1686 | D | 64.4 | Low | 74.4 | Confident | 135.6 Ų | 135.6 | 80 Ų | 80 | 73% | 0.725 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -32.6 | 176.8 | -69.9 | -8.1 | 0 | 0 | 0 | 114.5 | H1684 | H1684-D1686 VanDerWaalsContact C-N 3.28Å; H1684-D1686 IonicContact CE1-OD1 3.01Å; H1684-D1686 IonicContact CE1-OD2 3.67Å; H1684-D1686 PolarHBondContact CE1-OD2 3.27Å; H1684-D1686 VanDerWaalsContact CE1-OD2 3.28Å; H1684-D1686 WeakPolarHBondContact ND1-CB 3.31Å; H1684-D1686 PolarHBondContact ND1-N 3.05Å; H1684-D1686 IonicContact ND1-OD2 3.28Å; H1684-D1686 PolarHBondContact O-N 3.13Å; H1684-D1686 VanDerWaalsContact O-N 3.11Å |
| 1687 | K | 67.6 | Low | 74.5 | Confident | 115.6 Ų | 115.6 | 81 Ų | 81 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -28.7 | -179.3 | -68.2 | -174.8 | 179.7 | -177.7 | 0 | 112.1 | H1684 P1685 | H1684-K1687 PolarHBondContact O-N 3.12Å; P1685-K1687 VanDerWaalsContact C-N 3.32Å; P1685-K1687 PolarHBondContact O-N 3.2Å |
| 1688 | N | 72.5 | Confident | 75 | Confident | 64.4 Ų | 64.4 | 76.9 Ų | 76.9 | 34% | 0.344 | 38% | 0.377 | S | S | . | . | trans | -135.8 | 91.7 | -177.4 | -124.2 | -28.3 | 0 | 0 | 0 | 108.6 | K1682 H1684 P1685 N1690 G1691 | K1682-N1688 PolarHBondContact O-ND2 3.05Å; H1684-N1688 PolarHBondContact O-N 3.2Å; P1685-N1688 CarbonylContact O-C 3.51Å; P1685-N1688 VanDerWaalsContact O-C 3.29Å; P1685-N1688 PolarHBondContact O-N 2.79Å; N1688-N1690 PolarHBondContact O-N 3.28Å; N1688-N1690 PolarHBondContact OD1-N 2.91Å; N1688-G1691 WeakPolarHBondContact O-CA 3.41Å; N1688-G1691 PolarHBondContact O-N 3.19Å; N1688-G1691 PolarHBondContact OD1-N 3.12Å | ||
| 1689 | P | 70.7 | Confident | 75 | Confident | 102.4 Ų | 102.4 | 72 Ų | 72 | 67% | 0.665 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -55.7 | -36.3 | -178.9 | -25.4 | 33.4 | 0 | 0 | 0 | 112.8 | G1691 | P1689-G1691 VanDerWaalsContact C-N 3.27Å; P1689-G1691 PolarHBondContact O-N 3.12Å |
| 1690 | N | 73.8 | Confident | 74.9 | Confident | 157.6 Ų | 157.6 | 76.3 Ų | 76.3 | 84% | 0.843 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -80.4 | -5.4 | 178.1 | -60.6 | -14.6 | 0 | 0 | 0 | 113.1 | N1688 R1692 | N1688-N1690 PolarHBondContact O-N 3.28Å; N1688-N1690 PolarHBondContact OD1-N 2.91Å; N1690-R1692 VanDerWaalsContact C-N 3.31Å; N1690-R1692 PolarHBondContact O-N 3.24Å |
| 1691 | G | 74.1 | Confident | 75.2 | Confident | 3.6 Ų | 3.6 | 76 Ų | 76 | 4% | 0.037 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -82.9 | -5.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | N1688 P1689 E1693 K1694 F1695 | N1688-G1691 WeakPolarHBondContact O-CA 3.41Å; N1688-G1691 PolarHBondContact O-N 3.19Å; N1688-G1691 PolarHBondContact OD1-N 3.12Å; P1689-G1691 VanDerWaalsContact C-N 3.27Å; P1689-G1691 PolarHBondContact O-N 3.12Å; G1691-E1693 PolarHBondContact O-N 3.43Å; G1691-K1694 PolarHBondContact O-N 3.01Å; G1691-F1695 WeakPolarHBondContact O-CB 3.36Å; G1691-F1695 PolarHBondContact O-N 3.29Å |
| 1692 | R | 76.3 | Confident | 75.6 | Confident | 139 Ų | 139 | 74.3 Ų | 74.3 | 53% | 0.525 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56.5 | -44.5 | -171.8 | -165.5 | -179.8 | -167 | -173.6 | 1.7 | 113.2 | E1503 P1685 N1690 F1695 Q1696 | E1503-R1692 IonicContact OE1-NH2 3.06Å; E1503-R1692 PolarHBondContact OE1-NH2 3.21Å; E1503-R1692 VanDerWaalsContact OE1-NH2 3.15Å; E1503-R1692 IonicContact OE2-NH2 3.84Å; E1503-R1692 PolarHBondContact OE2-NH2 2.83Å; P1685-R1692 HydrophobicContact CG-CG 4.44Å; N1690-R1692 VanDerWaalsContact C-N 3.31Å; N1690-R1692 PolarHBondContact O-N 3.24Å; R1692-F1695 PolarHBondContact O-N 3.04Å; R1692-Q1696 WeakPolarHBondContact O-CG 3.44Å; R1692-Q1696 PolarHBondContact O-N 3.15Å |
| 1693 | E | 79.1 | Confident | 75.4 | Confident | 161.8 Ų | 161.8 | 70.1 Ų | 70.1 | 76% | 0.756 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.7 | -45.4 | 179.7 | -68.2 | -176.6 | 171.5 | 0 | 0 | 111.8 | G1691 F1695 Q1696 S1697 | G1691-E1693 PolarHBondContact O-N 3.43Å; E1693-F1695 VanDerWaalsContact C-N 3.32Å; E1693-F1695 PolarHBondContact O-N 3.21Å; E1693-Q1696 PolarHBondContact O-N 3.12Å; E1693-S1697 PolarHBondContact O-N 3.32Å |
| 1694 | K | 80.5 | Confident | 75.4 | Confident | 109.6 Ų | 109.6 | 69.5 Ų | 69.5 | 48% | 0.477 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 175.5 | -90.3 | -178.8 | 174.6 | -175.4 | 0 | 111.5 | E1655 Y1683 G1691 Q1696 S1697 L1698 | E1655-K1694 VanDerWaalsContact CD-NZ 3.26Å; E1655-K1694 IonicContact OE1-NZ 3.04Å; E1655-K1694 PolarHBondContact OE1-NZ 3.49Å; E1655-K1694 IonicContact OE2-NZ 2.72Å; E1655-K1694 PolarHBondContact OE2-NZ 3Å; Y1683-K1694 HydrophobicContact CD1-CB 4.07Å; Y1683-K1694 HydrophobicContact CD1-CD 3.96Å; Y1683-K1694 HydrophobicContact CD1-CG 4.17Å; Y1683-K1694 HydrophobicContact CD2-CG 4.23Å; Y1683-K1694 HydrophobicContact CE1-CB 4.44Å; Y1683-K1694 HydrophobicContact CE1-CD 3.5Å; Y1683-K1694 VanDerWaalsContact CE1-CD 3.48Å; Y1683-K1694 HydrophobicContact CE1-CG 4.15Å; Y1683-K1694 HydrophobicContact CE2-CD 4.43Å; Y1683-K1694 HydrophobicContact CE2-CG 4.2Å; Y1683-K1694 HydrophobicContact CG-CB 4.16Å; Y1683-K1694 HydrophobicContact CG-CG 4.22Å; G1691-K1694 PolarHBondContact O-N 3.01Å; K1694-Q1696 VanDerWaalsContact C-N 3.33Å; K1694-Q1696 PolarHBondContact O-N 3.14Å; K1694-S1697 PolarHBondContact O-N 3.09Å; K1694-L1698 HydrophobicContact CG-CD1 4.23Å; K1694-L1698 WeakPolarHBondContact O-CB 3.38Å; K1694-L1698 WeakPolarHBondContact O-CD1 3.44Å; K1694-L1698 WeakPolarHBondContact O-CG 3.37Å; K1694-L1698 PolarHBondContact O-N 3.13Å |
| 1695 | F | 79.2 | Confident | 75.5 | Confident | 29.8 Ų | 29.8 | 67.4 Ų | 67.4 | 13% | 0.131 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 175.9 | -176 | -94 | 0 | 0 | 0 | 112 | F1504 G1691 R1692 E1693 S1697 L1698 T1699 | F1504-F1695 HydrophobicContact CE1-CE1 4.26Å; G1691-F1695 WeakPolarHBondContact O-CB 3.36Å; G1691-F1695 PolarHBondContact O-N 3.29Å; R1692-F1695 PolarHBondContact O-N 3.04Å; E1693-F1695 VanDerWaalsContact C-N 3.32Å; E1693-F1695 PolarHBondContact O-N 3.21Å; F1695-S1697 PolarHBondContact O-N 3.01Å; F1695-L1698 PolarHBondContact O-N 3.13Å; F1695-T1699 WeakPolarHBondContact O-CB 3.44Å; F1695-T1699 PolarHBondContact O-N 3.12Å; F1695-T1699 PolarHBondContact O-OG1 2.96Å |
| 1696 | Q | 77.8 | Confident | 75.6 | Confident | 77.4 Ų | 77.4 | 66.7 Ų | 66.7 | 36% | 0.362 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 175 | -73.1 | 175.3 | 1.3 | 0 | 0 | 112.1 | R1692 E1693 K1694 T1699 K1700 | R1692-Q1696 WeakPolarHBondContact O-CG 3.44Å; R1692-Q1696 PolarHBondContact O-N 3.15Å; E1693-Q1696 PolarHBondContact O-N 3.12Å; K1694-Q1696 VanDerWaalsContact C-N 3.33Å; K1694-Q1696 PolarHBondContact O-N 3.14Å; Q1696-T1699 PolarHBondContact O-N 3.31Å; Q1696-K1700 VanDerWaalsContact O-CG 3.32Å; Q1696-K1700 WeakPolarHBondContact O-CG 3.44Å; Q1696-K1700 PolarHBondContact O-N 3.18Å |
| 1697 | S | 81.1 | Confident | 75.7 | Confident | 38.4 Ų | 38.4 | 61.8 Ų | 61.8 | 27% | 0.269 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.3 | -49.2 | 175.5 | -167.3 | 0 | 0 | 0 | 0 | 111.6 | E1655 E1693 K1694 F1695 T1699 K1700 A1701 | E1655-S1697 VanDerWaalsContact CD-OG 3.31Å; E1655-S1697 WeakPolarHBondContact OE2-CB 3.43Å; E1655-S1697 PolarHBondContact OE2-OG 3.35Å; E1693-S1697 PolarHBondContact O-N 3.32Å; K1694-S1697 PolarHBondContact O-N 3.09Å; F1695-S1697 PolarHBondContact O-N 3.01Å; S1697-T1699 VanDerWaalsContact C-N 3.3Å; S1697-T1699 PolarHBondContact O-N 3.28Å; S1697-K1700 WeakPolarHBondContact O-CB 3.36Å; S1697-K1700 PolarHBondContact O-N 3.09Å; S1697-K1700 VanDerWaalsContact O-N 3.14Å; S1697-A1701 WeakPolarHBondContact O-CB 3.38Å; S1697-A1701 PolarHBondContact O-N 3.24Å |
| 1698 | L | 82 | Confident | 75.7 | Confident | 3.2 Ų | 3.2 | 61.9 Ų | 61.9 | 2% | 0.017 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.2 | -41.7 | 176.6 | -72.5 | 163.4 | 0 | 0 | 0 | 112.1 | E1655 L1656 Y1676 M1679 Y1683 K1694 F1695 A1701 Y1702 | E1655-L1698 WeakPolarHBondContact O-CD2 3.25Å; L1656-L1698 HydrophobicContact CD2-CD2 4.01Å; Y1676-L1698 HydrophobicContact CD2-CB 4.48Å; Y1676-L1698 HydrophobicContact CE2-CB 4.44Å; M1679-L1698 HydrophobicContact CB-CD1 3.7Å; M1679-L1698 HydrophobicContact CB-CD2 3.88Å; M1679-L1698 HydrophobicContact CB-CG 4.41Å; M1679-L1698 HydrophobicContact CE-CD1 4.45Å; M1679-L1698 HydrophobicContact CE-CD2 4.07Å; M1679-L1698 HydrophobicContact CG-CD2 4.29Å; Y1683-L1698 HydrophobicContact CD2-CD1 3.61Å; Y1683-L1698 HydrophobicContact CE2-CD1 4.29Å; Y1683-L1698 HydrophobicContact CG-CD1 4.34Å; K1694-L1698 HydrophobicContact CG-CD1 4.23Å; K1694-L1698 WeakPolarHBondContact O-CB 3.38Å; K1694-L1698 WeakPolarHBondContact O-CD1 3.44Å; K1694-L1698 WeakPolarHBondContact O-CG 3.37Å; K1694-L1698 PolarHBondContact O-N 3.13Å; F1695-L1698 PolarHBondContact O-N 3.13Å; L1698-A1701 PolarHBondContact O-N 3.07Å; L1698-Y1702 VanDerWaalsContact O-CB 3.24Å; L1698-Y1702 WeakPolarHBondContact O-CB 3.37Å; L1698-Y1702 PolarHBondContact O-N 3.11Å |
| 1699 | T | 77.6 | Confident | 75.1 | Confident | 6.4 Ų | 6.4 | 62.8 Ų | 62.8 | 4% | 0.039 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 177.5 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | F1504 Y1676 F1695 Q1696 S1697 Y1702 Q1703 | F1504-T1699 HydrophobicContact CD1-CG2 4.04Å; F1504-T1699 HydrophobicContact CE1-CG2 4.04Å; Y1676-T1699 PolarHBondContact OH-OG1 3.17Å; F1695-T1699 WeakPolarHBondContact O-CB 3.44Å; F1695-T1699 PolarHBondContact O-N 3.12Å; F1695-T1699 PolarHBondContact O-OG1 2.96Å; Q1696-T1699 PolarHBondContact O-N 3.31Å; S1697-T1699 VanDerWaalsContact C-N 3.3Å; S1697-T1699 PolarHBondContact O-N 3.28Å; T1699-Y1702 PolarHBondContact O-N 3.08Å; T1699-Q1703 HydrophobicContact CG2-CG 4.43Å; T1699-Q1703 WeakPolarHBondContact O-CB 3.36Å; T1699-Q1703 VanDerWaalsContact O-CG 3.29Å; T1699-Q1703 WeakPolarHBondContact O-CG 3.42Å; T1699-Q1703 PolarHBondContact O-N 3.05Å |
| 1700 | K | 77.9 | Confident | 74.7 | Confident | 135.2 Ų | 135.2 | 64.5 Ų | 64.5 | 59% | 0.588 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.5 | -45.5 | 175.2 | -74.3 | 175.8 | -179 | 178.5 | 0 | 111.8 | Q1696 S1697 Q1703 F1704 | Q1696-K1700 VanDerWaalsContact O-CG 3.32Å; Q1696-K1700 WeakPolarHBondContact O-CG 3.44Å; Q1696-K1700 PolarHBondContact O-N 3.18Å; S1697-K1700 WeakPolarHBondContact O-CB 3.36Å; S1697-K1700 PolarHBondContact O-N 3.09Å; S1697-K1700 VanDerWaalsContact O-N 3.14Å; K1700-Q1703 PolarHBondContact O-N 3Å; K1700-F1704 VanDerWaalsContact O-CB 3.29Å; K1700-F1704 WeakPolarHBondContact O-CB 3.37Å; K1700-F1704 PolarHBondContact O-N 3.05Å |
| 1701 | A | 80.3 | Confident | 74.1 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1652 E1655 S1697 L1698 Q1703 F1704 L1705 | A1652-A1701 HydrophobicContact CB-CB 4.2Å; E1655-A1701 HydrophobicContact CB-CB 3.73Å; E1655-A1701 HydrophobicContact CG-CB 4.4Å; S1697-A1701 WeakPolarHBondContact O-CB 3.38Å; S1697-A1701 PolarHBondContact O-N 3.24Å; L1698-A1701 PolarHBondContact O-N 3.07Å; A1701-Q1703 VanDerWaalsContact C-N 3.34Å; A1701-Q1703 PolarHBondContact O-N 3.12Å; A1701-F1704 WeakPolarHBondContact O-CB 3.32Å; A1701-F1704 PolarHBondContact O-N 3.09Å; A1701-L1705 VanDerWaalsContact O-CG 3.29Å; A1701-L1705 WeakPolarHBondContact O-CG 3.41Å; A1701-L1705 PolarHBondContact O-N 2.94Å |
| 1702 | Y | 79.2 | Confident | 73.5 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 4% | 0.039 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 177.5 | 177.1 | -119.4 | 0 | 0 | 0 | 112.8 | P1590 I1672 R1673 Y1676 L1698 T1699 L1705 C1706 | P1590-Y1702 HydrophobicContact CB-CE1 4.15Å; P1590-Y1702 WeakPolarHBondContact CD-OH 3.41Å; P1590-Y1702 HydrophobicContact CG-CD1 4.06Å; P1590-Y1702 HydrophobicContact CG-CE1 3.36Å; P1590-Y1702 HydrophobicContact CG-CE2 4.46Å; P1590-Y1702 VanDerWaalsContact CG-CZ 3.48Å; P1590-Y1702 VanDerWaalsContact CG-OH 3.27Å; P1590-Y1702 WeakPolarHBondContact CG-OH 3.35Å; I1672-Y1702 HydrophobicContact CG2-CD2 3.58Å; I1672-Y1702 VanDerWaalsContact CG2-CD2 3.5Å; I1672-Y1702 HydrophobicContact CG2-CE2 3.8Å; R1673-Y1702 HydrophobicContact CG-CE2 3.99Å; R1673-Y1702 VanDerWaalsContact CG-OH 3.3Å; R1673-Y1702 WeakPolarHBondContact CG-OH 3.39Å; R1673-Y1702 PolarHBondContact NE-OH 3.29Å; Y1676-Y1702 VanDerWaalsContact CB-CD2 3.43Å; Y1676-Y1702 AromaticContact CD1-CD1 3.43Å; Y1676-Y1702 HydrophobicContact CD1-CD1 3.43Å; Y1676-Y1702 VanDerWaalsContact CD1-CD1 3.41Å; Y1676-Y1702 HydrophobicContact CD1-CD2 4.23Å; Y1676-Y1702 AromaticContact CD1-CE1 3.5Å; Y1676-Y1702 HydrophobicContact CD1-CE1 3.5Å; Y1676-Y1702 VanDerWaalsContact CD1-CE1 3.44Å; Y1676-Y1702 HydrophobicContact CD1-CE2 4.29Å; Y1676-Y1702 AromaticContact CD1-CG 3.81Å; Y1676-Y1702 HydrophobicContact CD1-CG 3.81Å; Y1676-Y1702 AromaticContact CD1-CZ 3.95Å; Y1676-Y1702 VanDerWaalsContact CD2-CB 3.43Å; Y1676-Y1702 AromaticContact CD2-CD1 3.77Å; Y1676-Y1702 HydrophobicContact CD2-CD1 3.86Å; Y1676-Y1702 HydrophobicContact CD2-CD2 4.34Å; Y1676-Y1702 AromaticContact CD2-CG 3.64Å; Y1676-Y1702 HydrophobicContact CD2-CG 3.64Å; Y1676-Y1702 AromaticContact CE1-CD1 3.56Å; Y1676-Y1702 HydrophobicContact CE1-CD1 3.56Å; Y1676-Y1702 VanDerWaalsContact CE1-CD1 3.41Å; Y1676-Y1702 AromaticContact CE1-CE1 3.74Å; Y1676-Y1702 HydrophobicContact CE1-CE1 3.74Å; Y1676-Y1702 HydrophobicContact CE1-CG 4.29Å; Y1676-Y1702 AromaticContact CE2-CD1 3.91Å; Y1676-Y1702 HydrophobicContact CE2-CD1 4Å; Y1676-Y1702 HydrophobicContact CE2-CG 4.15Å; Y1676-Y1702 AromaticContact CG-CD1 3.57Å; Y1676-Y1702 HydrophobicContact CG-CD1 3.57Å; Y1676-Y1702 AromaticContact CG-CD2 3.8Å; Y1676-Y1702 HydrophobicContact CG-CD2 3.8Å; Y1676-Y1702 AromaticContact CG-CE1 3.9Å; Y1676-Y1702 HydrophobicContact CG-CE1 4.03Å; Y1676-Y1702 HydrophobicContact CG-CE2 4.28Å; Y1676-Y1702 AromaticContact CG-CG 3.43Å; Y1676-Y1702 HydrophobicContact CG-CG 3.43Å; Y1676-Y1702 VanDerWaalsContact CG-CG 3.44Å; Y1676-Y1702 AromaticContact CZ-CD1 3.8Å; L1698-Y1702 VanDerWaalsContact O-CB 3.24Å; L1698-Y1702 WeakPolarHBondContact O-CB 3.37Å; L1698-Y1702 PolarHBondContact O-N 3.11Å; T1699-Y1702 PolarHBondContact O-N 3.08Å; Y1702-L1705 PolarHBondContact O-N 3Å; Y1702-C1706 WeakPolarHBondContact CE2-SG 3.42Å; Y1702-C1706 VanDerWaalsContact CZ-SG 3.55Å; Y1702-C1706 WeakPolarHBondContact O-CB 3.34Å; Y1702-C1706 PolarHBondContact O-N 3.08Å; Y1702-C1706 PolarHBondContact O-SG 3.11Å |
| 1703 | Q | 71.6 | Confident | 72.9 | Confident | 40 Ų | 40 | 65.5 Ų | 65.5 | 19% | 0.187 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 175 | -75.5 | 179.4 | -4 | 0 | 0 | 112.1 | F1504 T1699 K1700 A1701 L1705 C1706 N1707 | F1504-Q1703 VanDerWaalsContact O-CD 3.24Å; F1504-Q1703 PolarHBondContact O-NE2 3.05Å; F1504-Q1703 PolarHBondContact O-OE1 3.19Å; T1699-Q1703 HydrophobicContact CG2-CG 4.43Å; T1699-Q1703 WeakPolarHBondContact O-CB 3.36Å; T1699-Q1703 VanDerWaalsContact O-CG 3.29Å; T1699-Q1703 WeakPolarHBondContact O-CG 3.42Å; T1699-Q1703 PolarHBondContact O-N 3.05Å; K1700-Q1703 PolarHBondContact O-N 3Å; A1701-Q1703 VanDerWaalsContact C-N 3.34Å; A1701-Q1703 PolarHBondContact O-N 3.12Å; Q1703-L1705 VanDerWaalsContact C-N 3.29Å; Q1703-L1705 PolarHBondContact O-N 3.1Å; Q1703-C1706 PolarHBondContact O-N 3.02Å; Q1703-N1707 VanDerWaalsContact O-CB 3.24Å; Q1703-N1707 WeakPolarHBondContact O-CB 3.45Å; Q1703-N1707 PolarHBondContact O-N 3.05Å |
| 1704 | F | 76.2 | Confident | 72.6 | Confident | 28.2 Ų | 28.2 | 58.3 Ų | 58.3 | 12% | 0.124 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.2 | -46.9 | 174.4 | 175.1 | -86.2 | 0 | 0 | 0 | 110.9 | V1645 M1647 A1652 K1700 A1701 N1707 R1708 L1711 | V1645-F1704 HydrophobicContact CB-CE2 4.48Å; V1645-F1704 HydrophobicContact CG1-CD2 4.12Å; V1645-F1704 HydrophobicContact CG1-CE2 3.78Å; M1647-F1704 HydrophobicContact CB-CD2 3.93Å; M1647-F1704 HydrophobicContact CB-CE2 3.87Å; M1647-F1704 HydrophobicContact CB-CG 4.48Å; M1647-F1704 HydrophobicContact CB-CZ 4.4Å; M1647-F1704 HydrophobicContact CG-CD1 4.31Å; M1647-F1704 HydrophobicContact CG-CD2 4.05Å; M1647-F1704 HydrophobicContact CG-CE1 4.44Å; M1647-F1704 HydrophobicContact CG-CE2 4.2Å; M1647-F1704 HydrophobicContact CG-CG 4.13Å; M1647-F1704 HydrophobicContact CG-CZ 4.37Å; M1647-F1704 WeakPolarHBondContact O-CE2 3.4Å; M1647-F1704 WeakPolarHBondContact O-CZ 3.41Å; A1652-F1704 HydrophobicContact CB-CB 4.46Å; A1652-F1704 HydrophobicContact CB-CD1 3.52Å; A1652-F1704 VanDerWaalsContact CB-CD1 3.47Å; A1652-F1704 HydrophobicContact CB-CE1 4.08Å; A1652-F1704 HydrophobicContact CB-CG 4.32Å; K1700-F1704 VanDerWaalsContact O-CB 3.29Å; K1700-F1704 WeakPolarHBondContact O-CB 3.37Å; K1700-F1704 PolarHBondContact O-N 3.05Å; A1701-F1704 WeakPolarHBondContact O-CB 3.32Å; A1701-F1704 PolarHBondContact O-N 3.09Å; F1704-N1707 PolarHBondContact O-N 3.13Å; F1704-R1708 VanDerWaalsContact O-CG 3.31Å; F1704-R1708 WeakPolarHBondContact O-CG 3.37Å; F1704-R1708 PolarHBondContact O-N 3.06Å; F1704-L1711 HydrophobicContact CB-CD1 4.32Å; F1704-L1711 HydrophobicContact CD1-CD1 4.36Å; F1704-L1711 HydrophobicContact CD2-CD1 3.57Å; F1704-L1711 VanDerWaalsContact CD2-CD1 3.41Å; F1704-L1711 HydrophobicContact CD2-CD2 3.57Å; F1704-L1711 VanDerWaalsContact CD2-CD2 3.47Å; F1704-L1711 HydrophobicContact CD2-CG 4.23Å; F1704-L1711 HydrophobicContact CE1-CD1 4.16Å; F1704-L1711 HydrophobicContact CE2-CD1 3.42Å; F1704-L1711 VanDerWaalsContact CE2-CD1 3.45Å; F1704-L1711 HydrophobicContact CE2-CD2 3.62Å; F1704-L1711 HydrophobicContact CE2-CG 4.15Å; F1704-L1711 HydrophobicContact CG-CD1 4.09Å; F1704-L1711 HydrophobicContact CG-CD2 4.38Å; F1704-L1711 HydrophobicContact CZ-CD1 3.8Å; F1704-L1711 HydrophobicContact CZ-CD2 4.32Å; F1704-L1711 HydrophobicContact CZ-CG 4.48Å; F1704-L1711 WeakPolarHBondContact O-CD1 3.3Å |
| 1705 | L | 75.6 | Confident | 72.7 | Confident | 11.6 Ų | 11.6 | 56.1 Ų | 56.1 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 178.7 | -67.5 | 169.3 | 0 | 0 | 0 | 112.8 | Y1649 A1652 L1653 L1656 I1672 A1701 Y1702 Q1703 R1708 | Y1649-L1705 HydrophobicContact CD2-CD2 3.5Å; Y1649-L1705 VanDerWaalsContact CD2-CD2 3.48Å; Y1649-L1705 HydrophobicContact CE2-CD2 3.56Å; Y1649-L1705 HydrophobicContact CG-CD2 4.49Å; A1652-L1705 HydrophobicContact CB-CD1 4.22Å; A1652-L1705 HydrophobicContact CB-CD2 3.96Å; A1652-L1705 HydrophobicContact CB-CG 3.87Å; L1653-L1705 HydrophobicContact CD1-CD1 3.81Å; L1653-L1705 HydrophobicContact CD1-CD2 3.41Å; L1653-L1705 VanDerWaalsContact CD1-CD2 3.41Å; L1653-L1705 HydrophobicContact CD1-CG 4.26Å; L1653-L1705 HydrophobicContact CD2-CD1 3.93Å; L1653-L1705 HydrophobicContact CD2-CD2 4.09Å; L1653-L1705 HydrophobicContact CG-CD1 4.39Å; L1653-L1705 HydrophobicContact CG-CD2 4.08Å; L1656-L1705 HydrophobicContact CD1-CD1 3.4Å; L1656-L1705 VanDerWaalsContact CD1-CD1 3.43Å; L1656-L1705 HydrophobicContact CG-CD1 4.49Å; I1672-L1705 HydrophobicContact CD1-CB 4.21Å; I1672-L1705 HydrophobicContact CD1-CD1 4.14Å; I1672-L1705 HydrophobicContact CD1-CD2 4.45Å; I1672-L1705 HydrophobicContact CG1-CD1 4.32Å; I1672-L1705 HydrophobicContact CG2-CB 4.18Å; I1672-L1705 HydrophobicContact CG2-CD1 3.94Å; A1701-L1705 VanDerWaalsContact O-CG 3.29Å; A1701-L1705 WeakPolarHBondContact O-CG 3.41Å; A1701-L1705 PolarHBondContact O-N 2.94Å; Y1702-L1705 PolarHBondContact O-N 3Å; Q1703-L1705 VanDerWaalsContact C-N 3.29Å; Q1703-L1705 PolarHBondContact O-N 3.1Å; L1705-R1708 WeakPolarHBondContact O-CD 3.33Å; L1705-R1708 VanDerWaalsContact O-CG 3.3Å; L1705-R1708 WeakPolarHBondContact O-CG 3.37Å; L1705-R1708 PolarHBondContact O-NE 2.93Å |
| 1706 | C | 70.2 | Confident | 72.9 | Confident | 30 Ų | 30 | 57.6 Ų | 57.6 | 20% | 0.203 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -71.3 | -32.5 | 177.7 | -68.1 | 0 | 0 | 0 | 0 | 113 | P1590 I1593 Y1702 Q1703 | P1590-C1706 HydrophobicContact CB-CB 4.26Å; P1590-C1706 HydrophobicContact CG-CB 4.36Å; I1593-C1706 WeakPolarHBondContact CD1-O 3.31Å; Y1702-C1706 WeakPolarHBondContact CE2-SG 3.42Å; Y1702-C1706 VanDerWaalsContact CZ-SG 3.55Å; Y1702-C1706 WeakPolarHBondContact O-CB 3.34Å; Y1702-C1706 PolarHBondContact O-N 3.08Å; Y1702-C1706 PolarHBondContact O-SG 3.11Å; Q1703-C1706 PolarHBondContact O-N 3.02Å |
| 1707 | N | 67.2 | Low | 73.2 | Confident | 31.6 Ų | 31.6 | 57.7 Ų | 57.7 | 17% | 0.169 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 22.7 | -174 | -64.1 | -14.6 | 0 | 0 | 0 | 113.3 | I1593 Q1703 F1704 S1709 K1710 L1711 | I1593-N1707 HydrophobicContact CD1-CB 4.14Å; I1593-N1707 WeakPolarHBondContact CD1-OD1 3.34Å; Q1703-N1707 VanDerWaalsContact O-CB 3.24Å; Q1703-N1707 WeakPolarHBondContact O-CB 3.45Å; Q1703-N1707 PolarHBondContact O-N 3.05Å; F1704-N1707 PolarHBondContact O-N 3.13Å; N1707-S1709 PolarHBondContact O-N 3.25Å; N1707-S1709 VanDerWaalsContact O-N 3.11Å; N1707-K1710 WeakPolarHBondContact O-CA 3.46Å; N1707-K1710 PolarHBondContact O-N 3.19Å; N1707-L1711 PolarHBondContact O-N 3.17Å; N1707-L1711 VanDerWaalsContact O-N 3.15Å |
| 1708 | R | 66.5 | Low | 73.4 | Confident | 119.2 Ų | 119.2 | 57.8 Ų | 57.8 | 45% | 0.45 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -37 | -176.9 | -131.5 | 174.5 | 53.6 | -164.4 | -3.2 | 113.8 | Y1649 E1668 F1704 L1705 K1710 L1711 | Y1649-R1708 VanDerWaalsContact CE2-NH1 3.28Å; E1668-R1708 VanDerWaalsContact CD-NH2 3.34Å; E1668-R1708 IonicContact OE1-CZ 3.82Å; E1668-R1708 IonicContact OE1-NH1 3.46Å; E1668-R1708 PolarHBondContact OE1-NH1 3.28Å; E1668-R1708 IonicContact OE1-NH2 3.29Å; E1668-R1708 PolarHBondContact OE1-NH2 2.99Å; E1668-R1708 IonicContact OE2-NH1 2.72Å; E1668-R1708 IonicContact OE2-NH2 3.38Å; E1668-R1708 PolarHBondContact OE2-NH2 3.14Å; F1704-R1708 VanDerWaalsContact O-CG 3.31Å; F1704-R1708 WeakPolarHBondContact O-CG 3.37Å; F1704-R1708 PolarHBondContact O-N 3.06Å; L1705-R1708 WeakPolarHBondContact O-CD 3.33Å; L1705-R1708 VanDerWaalsContact O-CG 3.3Å; L1705-R1708 WeakPolarHBondContact O-CG 3.37Å; L1705-R1708 PolarHBondContact O-NE 2.93Å; R1708-K1710 VanDerWaalsContact C-N 3.31Å; R1708-K1710 PolarHBondContact O-N 3.4Å; R1708-L1711 VanDerWaalsContact CA-CD1 3.45Å; R1708-L1711 HydrophobicContact CB-CD1 4.33Å; R1708-L1711 HydrophobicContact CG-CD1 4.18Å; R1708-L1711 WeakPolarHBondContact O-CB 3.37Å; R1708-L1711 PolarHBondContact O-N 3.37Å |
| 1709 | S | 60.6 | Low | 73.8 | Confident | 81.8 Ų | 81.8 | 58.9 Ų | 58.9 | 57% | 0.572 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -28.4 | 177.8 | 52.7 | 0 | 0 | 0 | 0 | 113.8 | I1593 N1707 | I1593-S1709 WeakPolarHBondContact CD1-OG 3.28Å; N1707-S1709 PolarHBondContact O-N 3.25Å; N1707-S1709 VanDerWaalsContact O-N 3.11Å |
| 1710 | K | 61 | Low | 74.4 | Confident | 138.2 Ų | 138.2 | 59.1 Ų | 59.1 | 60% | 0.601 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -8.5 | 177 | -78.5 | -165.6 | 174.3 | -172.1 | 0 | 114 | I1593 N1707 R1708 S1712 | I1593-K1710 HydrophobicContact CD1-CB 4.4Å; I1593-K1710 HydrophobicContact CD1-CD 4.33Å; I1593-K1710 HydrophobicContact CD1-CG 4.09Å; I1593-K1710 HydrophobicContact CG1-CD 4.36Å; I1593-K1710 HydrophobicContact CG1-CG 4.44Å; N1707-K1710 WeakPolarHBondContact O-CA 3.46Å; N1707-K1710 PolarHBondContact O-N 3.19Å; R1708-K1710 VanDerWaalsContact C-N 3.31Å; R1708-K1710 PolarHBondContact O-N 3.4Å; K1710-S1712 PolarHBondContact O-N 3.09Å; K1710-S1712 VanDerWaalsContact O-N 3.1Å |
| 1711 | L | 61.6 | Low | 75.1 | Confident | 48.8 Ų | 48.8 | 54.4 Ų | 54.4 | 26% | 0.255 | 26% | 0.262 | S | S | . | . | trans | -63.1 | 110.9 | -178.9 | -79.1 | 155.3 | 0 | 0 | 0 | 109.7 | V1645 F1704 N1707 R1708 R1713 | V1645-L1711 HydrophobicContact CB-CD2 3.91Å; V1645-L1711 HydrophobicContact CG1-CD2 3.81Å; V1645-L1711 VanDerWaalsContact CG1-CD2 3.4Å; V1645-L1711 HydrophobicContact CG2-CB 4.28Å; V1645-L1711 HydrophobicContact CG2-CD2 3.52Å; V1645-L1711 VanDerWaalsContact CG2-CD2 3.46Å; V1645-L1711 HydrophobicContact CG2-CG 4.38Å; F1704-L1711 HydrophobicContact CB-CD1 4.32Å; F1704-L1711 HydrophobicContact CD1-CD1 4.36Å; F1704-L1711 HydrophobicContact CD2-CD1 3.57Å; F1704-L1711 VanDerWaalsContact CD2-CD1 3.41Å; F1704-L1711 HydrophobicContact CD2-CD2 3.57Å; F1704-L1711 VanDerWaalsContact CD2-CD2 3.47Å; F1704-L1711 HydrophobicContact CD2-CG 4.23Å; F1704-L1711 HydrophobicContact CE1-CD1 4.16Å; F1704-L1711 HydrophobicContact CE2-CD1 3.42Å; F1704-L1711 VanDerWaalsContact CE2-CD1 3.45Å; F1704-L1711 HydrophobicContact CE2-CD2 3.62Å; F1704-L1711 HydrophobicContact CE2-CG 4.15Å; F1704-L1711 HydrophobicContact CG-CD1 4.09Å; F1704-L1711 HydrophobicContact CG-CD2 4.38Å; F1704-L1711 HydrophobicContact CZ-CD1 3.8Å; F1704-L1711 HydrophobicContact CZ-CD2 4.32Å; F1704-L1711 HydrophobicContact CZ-CG 4.48Å; F1704-L1711 WeakPolarHBondContact O-CD1 3.3Å; N1707-L1711 PolarHBondContact O-N 3.17Å; N1707-L1711 VanDerWaalsContact O-N 3.15Å; R1708-L1711 VanDerWaalsContact CA-CD1 3.45Å; R1708-L1711 HydrophobicContact CB-CD1 4.33Å; R1708-L1711 HydrophobicContact CG-CD1 4.18Å; R1708-L1711 WeakPolarHBondContact O-CB 3.37Å; R1708-L1711 PolarHBondContact O-N 3.37Å; L1711-R1713 PolarHBondContact O-N 3.35Å | ||
| 1712 | S | 62.2 | Low | 75.7 | Confident | 28.6 Ų | 28.6 | 54.8 Ų | 54.8 | 20% | 0.2 | 26% | 0.264 | C | S | . | . | trans | -63.4 | 125.7 | -176.9 | 167.8 | 0 | 0 | 0 | 0 | 109.9 | K1642 P1644 V1645 K1710 G1714 | K1642-S1712 WeakPolarHBondContact CB-OG 3.41Å; P1644-S1712 WeakPolarHBondContact CA-O 3.4Å; V1645-S1712 PolarHBondContact N-O 3.26Å; K1710-S1712 PolarHBondContact O-N 3.09Å; K1710-S1712 VanDerWaalsContact O-N 3.1Å; S1712-G1714 PolarHBondContact O-N 3.32Å; S1712-G1714 VanDerWaalsContact OG-C 3.27Å; S1712-G1714 WeakPolarHBondContact OG-CA 3.4Å; S1712-G1714 PolarHBondContact OG-N 3.2Å; S1712-G1714 VanDerWaalsContact OG-N 3.08Å; S1712-G1714 PolarHBondContact OG-O 3.2Å | ||
| 1713 | R | 63.2 | Low | 76.4 | Confident | 244.6 Ų | 244.6 | 54.3 Ų | 54.3 | 92% | 0.923 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -84.4 | 18.8 | 168 | -64.7 | -179.5 | 178.2 | 156.8 | 0 | 111.6 | L1711 | L1711-R1713 PolarHBondContact O-N 3.35Š|
| 1714 | G | 73.8 | Confident | 77.6 | Confident | 11 Ų | 11 | 52.4 Ų | 52.4 | 11% | 0.113 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 107.5 | -168.5 | -162.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1712 N1716 | S1712-G1714 PolarHBondContact O-N 3.32Å; S1712-G1714 VanDerWaalsContact OG-C 3.27Å; S1712-G1714 WeakPolarHBondContact OG-CA 3.4Å; S1712-G1714 PolarHBondContact OG-N 3.2Å; S1712-G1714 VanDerWaalsContact OG-N 3.08Å; S1712-G1714 PolarHBondContact OG-O 3.2Å; G1714-N1716 PolarHBondContact O-N 2.99Å |
| 1715 | P | 82 | Confident | 78.5 | Confident | 62.2 Ų | 62.2 | 54.9 Ų | 54.9 | 40% | 0.404 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -60 | 128.3 | -178.4 | -23.1 | 34.1 | 0 | 0 | 0 | 112.1 | E1639 R1717 I1720 | E1639-P1715 WeakPolarHBondContact O-CB 3.44Å; P1715-R1717 PolarHBondContact O-N 3.21Å; P1715-I1720 HydrophobicContact CB-CD1 4.21Å |
| 1716 | N | 83.8 | Confident | 79.5 | Confident | 61.6 Ų | 61.6 | 54.3 Ų | 54.3 | 33% | 0.329 | 26% | 0.259 | S | S | . | . | trans | -82.4 | 117.3 | 177.7 | -175.5 | -28.1 | 0 | 0 | 0 | 110.9 | E1639 G1714 L1718 H1719 I1720 | E1639-N1716 VanDerWaalsContact OE1-CB 3.29Å; E1639-N1716 WeakPolarHBondContact OE1-CB 3.3Å; E1639-N1716 PolarHBondContact OE1-N 3.06Å; G1714-N1716 PolarHBondContact O-N 2.99Å; N1716-L1718 WeakPolarHBondContact OD1-CB 3.41Å; N1716-L1718 PolarHBondContact OD1-N 3.21Å; N1716-H1719 HydrophobicContact CB-CB 3.99Å; N1716-H1719 PolarHBondContact ND2-CE1 2.74Å; N1716-H1719 PolarHBondContact ND2-NE2 3.2Å; N1716-H1719 WeakPolarHBondContact O-CB 3.33Å; N1716-H1719 PolarHBondContact O-N 3.16Å; N1716-H1719 PolarHBondContact OD1-N 3.19Å; N1716-I1720 WeakPolarHBondContact O-CG1 3.46Å; N1716-I1720 PolarHBondContact O-N 3.21Å; N1716-I1720 VanDerWaalsContact O-N 3.11Å | ||
| 1717 | R | 83.5 | Confident | 80.8 | Confident | 80.6 Ų | 80.6 | 52.9 Ų | 52.9 | 30% | 0.304 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.5 | -43.8 | -178.9 | -87.9 | -179.8 | 170.5 | -130.3 | -7.7 | 113.5 | P1715 H1719 I1720 Q1721 E1756 D1759 N1802 | P1715-R1717 PolarHBondContact O-N 3.21Å; R1717-H1719 VanDerWaalsContact C-N 3.29Å; R1717-H1719 PolarHBondContact O-N 3.15Å; R1717-I1720 PolarHBondContact O-N 3.12Å; R1717-I1720 VanDerWaalsContact O-N 3.15Å; R1717-Q1721 PolarHBondContact O-N 3.12Å; R1717-E1756 IonicContact CZ-OE1 3.29Å; R1717-E1756 IonicContact CZ-OE2 3.1Å; R1717-E1756 IonicContact NE-OE1 3.71Å; R1717-E1756 VanDerWaalsContact NH1-CD 3.3Å; R1717-E1756 IonicContact NH1-OE1 3.26Å; R1717-E1756 PolarHBondContact NH1-OE1 3.31Å; R1717-E1756 IonicContact NH1-OE2 3.35Å; R1717-E1756 PolarHBondContact NH1-OE2 3.27Å; R1717-E1756 IonicContact NH2-OE1 2.85Å; R1717-E1756 PolarHBondContact NH2-OE1 3.25Å; R1717-E1756 IonicContact NH2-OE2 3.02Å; R1717-E1756 PolarHBondContact NH2-OE2 3.15Å; R1717-D1759 IonicContact NH2-OD2 3.87Å; R1717-N1802 WeakPolarHBondContact CD-OD1 3.45Å; R1717-N1802 PolarHBondContact NH1-OD1 3.03Å |
| 1718 | L | 85.8 | Confident | 82.1 | Confident | 39.4 Ų | 39.4 | 51.5 Ų | 51.5 | 21% | 0.206 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.4 | -42.8 | 176.9 | 176.1 | 64.3 | 0 | 0 | 0 | 110.5 | N1599 N1716 I1720 Q1721 L1722 | N1599-L1718 HydrophobicContact CB-CD2 4.12Å; N1716-L1718 WeakPolarHBondContact OD1-CB 3.41Å; N1716-L1718 PolarHBondContact OD1-N 3.21Å; L1718-I1720 VanDerWaalsContact C-N 3.33Å; L1718-I1720 PolarHBondContact O-N 2.91Å; L1718-Q1721 PolarHBondContact O-N 3.03Å; L1718-L1722 HydrophobicContact CD1-CD1 4.47Å; L1718-L1722 HydrophobicContact CD1-CG 4.29Å; L1718-L1722 HydrophobicContact CG-CD1 4.26Å; L1718-L1722 HydrophobicContact CG-CG 4.46Å; L1718-L1722 WeakPolarHBondContact O-CB 3.31Å; L1718-L1722 VanDerWaalsContact O-CG 3.28Å; L1718-L1722 WeakPolarHBondContact O-CG 3.39Å; L1718-L1722 PolarHBondContact O-N 3.11Å |
| 1719 | H | 89.2 | Confident | 83.5 | Confident | 27.4 Ų | 27.4 | 46.2 Ų | 46.2 | 13% | 0.127 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -46.1 | 176.3 | -70.4 | -176.5 | 0 | 0 | 0 | 111.6 | L1601 E1639 N1716 R1717 Q1721 L1722 M1723 | L1601-H1719 HydrophobicContact CD2-CB 3.86Å; E1639-H1719 HydrophobicContact CG-CB 4.28Å; E1639-H1719 IonicContact OE1-ND1 3.56Å; E1639-H1719 IonicContact OE2-CG 3.69Å; E1639-H1719 IonicContact OE2-ND1 3.14Å; E1639-H1719 PolarHBondContact OE2-ND1 3.23Å; E1639-H1719 VanDerWaalsContact OE2-ND1 3.11Å; N1716-H1719 HydrophobicContact CB-CB 3.99Å; N1716-H1719 PolarHBondContact ND2-CE1 2.74Å; N1716-H1719 PolarHBondContact ND2-NE2 3.2Å; N1716-H1719 WeakPolarHBondContact O-CB 3.33Å; N1716-H1719 PolarHBondContact O-N 3.16Å; N1716-H1719 PolarHBondContact OD1-N 3.19Å; R1717-H1719 VanDerWaalsContact C-N 3.29Å; R1717-H1719 PolarHBondContact O-N 3.15Å; H1719-Q1721 VanDerWaalsContact C-N 3.34Å; H1719-Q1721 PolarHBondContact O-N 3.21Å; H1719-L1722 PolarHBondContact O-N 3.05Å; H1719-M1723 VanDerWaalsContact C-CE 3.47Å; H1719-M1723 HydrophobicContact CB-CE 4.18Å; H1719-M1723 WeakPolarHBondContact O-CB 3.27Å; H1719-M1723 VanDerWaalsContact O-CE 3.32Å; H1719-M1723 WeakPolarHBondContact O-CE 3.24Å; H1719-M1723 VanDerWaalsContact O-CG 3.28Å; H1719-M1723 WeakPolarHBondContact O-CG 3.39Å; H1719-M1723 PolarHBondContact O-N 3.31Å |
| 1720 | I | 91.8 | Very high | 85.1 | Confident | 9.8 Ų | 9.8 | 42.3 Ų | 42.3 | 5% | 0.05 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.8 | -47.8 | 177.7 | -61.9 | 165 | 0 | 0 | 0 | 110.1 | E1639 L1640 P1715 N1716 R1717 L1718 L1722 M1723 L1724 T1752 L1805 | E1639-I1720 HydrophobicContact CG-CG1 4.27Å; L1640-I1720 HydrophobicContact CD2-CD1 3.79Å; L1640-I1720 HydrophobicContact CD2-CG1 4.47Å; P1715-I1720 HydrophobicContact CB-CD1 4.21Å; N1716-I1720 WeakPolarHBondContact O-CG1 3.46Å; N1716-I1720 PolarHBondContact O-N 3.21Å; N1716-I1720 VanDerWaalsContact O-N 3.11Å; R1717-I1720 PolarHBondContact O-N 3.12Å; R1717-I1720 VanDerWaalsContact O-N 3.15Å; L1718-I1720 VanDerWaalsContact C-N 3.33Å; L1718-I1720 PolarHBondContact O-N 2.91Å; I1720-L1722 VanDerWaalsContact C-N 3.34Å; I1720-L1722 PolarHBondContact O-N 3.11Å; I1720-M1723 HydrophobicContact CB-CE 4.43Å; I1720-M1723 HydrophobicContact CG1-CE 4.26Å; I1720-M1723 WeakPolarHBondContact O-CB 3.38Å; I1720-M1723 PolarHBondContact O-N 3.15Å; I1720-M1723 VanDerWaalsContact O-N 3.13Å; I1720-L1724 HydrophobicContact CG2-CD1 4.14Å; I1720-L1724 HydrophobicContact CG2-CG 4.29Å; I1720-L1724 VanDerWaalsContact O-CG 3.31Å; I1720-L1724 WeakPolarHBondContact O-CG 3.39Å; I1720-L1724 PolarHBondContact O-N 3.15Å; I1720-T1752 HydrophobicContact CG2-CG2 4.35Å; I1720-L1805 HydrophobicContact CB-CD1 4.28Å; I1720-L1805 HydrophobicContact CG2-CD1 3.77Å; I1720-L1805 HydrophobicContact CG2-CD2 4.44Å |
| 1721 | Q | 91.4 | Very high | 86.7 | Confident | 35.8 Ų | 35.8 | 35.9 Ų | 35.9 | 17% | 0.167 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.4 | -46.6 | 177.5 | -176.5 | -164.7 | -17.5 | 0 | 0 | 112 | R1717 L1718 H1719 M1723 L1724 R1725 V1804 L1805 A1808 | R1717-Q1721 PolarHBondContact O-N 3.12Å; L1718-Q1721 PolarHBondContact O-N 3.03Å; H1719-Q1721 VanDerWaalsContact C-N 3.34Å; H1719-Q1721 PolarHBondContact O-N 3.21Å; Q1721-M1723 VanDerWaalsContact C-N 3.32Å; Q1721-M1723 PolarHBondContact O-N 3.06Å; Q1721-L1724 PolarHBondContact O-N 3.06Å; Q1721-R1725 WeakPolarHBondContact O-CB 3.32Å; Q1721-R1725 PolarHBondContact O-N 3.02Å; Q1721-V1804 HydrophobicContact CG-CG1 4.36Å; Q1721-L1805 HydrophobicContact CB-CD1 3.98Å; Q1721-A1808 HydrophobicContact CG-CB 4.26Å |
| 1722 | L | 92.5 | Very high | 88.1 | Confident | 10 Ų | 10 | 39 Ų | 39 | 5% | 0.052 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61 | -41.3 | 177.1 | -70.5 | 179.5 | 0 | 0 | 0 | 111.8 | L1601 L1608 R1609 C1612 L1718 H1719 I1720 A1726 | L1601-L1722 HydrophobicContact CB-CD1 4.18Å; L1601-L1722 HydrophobicContact CD2-CB 4.48Å; L1608-L1722 HydrophobicContact CB-CB 4.09Å; R1609-L1722 HydrophobicContact CB-CD1 3.87Å; R1609-L1722 HydrophobicContact CB-CD2 4.04Å; R1609-L1722 HydrophobicContact CG-CD1 4.43Å; R1609-L1722 HydrophobicContact CG-CD2 4.22Å; C1612-L1722 HydrophobicContact CB-CD2 4.3Å; L1718-L1722 HydrophobicContact CD1-CD1 4.47Å; L1718-L1722 HydrophobicContact CD1-CG 4.29Å; L1718-L1722 HydrophobicContact CG-CD1 4.26Å; L1718-L1722 HydrophobicContact CG-CG 4.46Å; L1718-L1722 WeakPolarHBondContact O-CB 3.31Å; L1718-L1722 VanDerWaalsContact O-CG 3.28Å; L1718-L1722 WeakPolarHBondContact O-CG 3.39Å; L1718-L1722 PolarHBondContact O-N 3.11Å; H1719-L1722 PolarHBondContact O-N 3.05Å; I1720-L1722 VanDerWaalsContact C-N 3.34Å; I1720-L1722 PolarHBondContact O-N 3.11Å; L1722-A1726 WeakPolarHBondContact O-CB 3.34Å; L1722-A1726 PolarHBondContact O-N 3.26Å |
| 1723 | M | 95.7 | Very high | 89.6 | Confident | 0.6 Ų | 0.6 | 40.6 Ų | 40.6 | 0% | 0.003 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.8 | -42 | 176.3 | -71 | 175.2 | -113.4 | 0 | 0 | 112 | L1601 L1608 I1632 T1635 W1636 E1639 H1719 I1720 Q1721 Q1727 | L1601-M1723 HydrophobicContact CD1-CE 4.2Å; L1601-M1723 HydrophobicContact CD2-CE 4.04Å; L1601-M1723 VanDerWaalsContact CD2-CE 3.43Å; L1601-M1723 HydrophobicContact CD2-CG 3.65Å; L1601-M1723 HydrophobicContact CD2-SD 4.06Å; L1601-M1723 HydrophobicContact CG-CE 4.39Å; L1608-M1723 HydrophobicContact CD1-CG 3.93Å; I1632-M1723 HydrophobicContact CG2-CB 3.71Å; I1632-M1723 HydrophobicContact CG2-CG 3.97Å; T1635-M1723 HydrophobicContact CG2-SD 3.84Å; T1635-M1723 WeakPolarHBondContact O-CE 3.14Å; T1635-M1723 WeakPolarHBondContact OG1-CE 3.12Å; W1636-M1723 VanDerWaalsContact CA-CE 3.47Å; W1636-M1723 VanDerWaalsContact CA-SD 3.58Å; W1636-M1723 WeakPolarHBondContact CA-SD 3.3Å; W1636-M1723 HydrophobicContact CB-CE 3.97Å; W1636-M1723 HydrophobicContact CB-SD 3.57Å; W1636-M1723 VanDerWaalsContact CB-SD 3.57Å; W1636-M1723 WeakPolarHBondContact CB-SD 3.44Å; W1636-M1723 HydrophobicContact CG-CE 4.21Å; W1636-M1723 HydrophobicContact CG-SD 4.22Å; W1636-M1723 PolarHBondContact N-SD 3.21Å; W1636-M1723 VanDerWaalsContact N-SD 3.38Å; E1639-M1723 HydrophobicContact CB-CE 3.99Å; E1639-M1723 HydrophobicContact CG-CE 4.01Å; H1719-M1723 VanDerWaalsContact C-CE 3.47Å; H1719-M1723 HydrophobicContact CB-CE 4.18Å; H1719-M1723 WeakPolarHBondContact O-CB 3.27Å; H1719-M1723 VanDerWaalsContact O-CE 3.32Å; H1719-M1723 WeakPolarHBondContact O-CE 3.24Å; H1719-M1723 VanDerWaalsContact O-CG 3.28Å; H1719-M1723 WeakPolarHBondContact O-CG 3.39Å; H1719-M1723 PolarHBondContact O-N 3.31Å; I1720-M1723 HydrophobicContact CB-CE 4.43Å; I1720-M1723 HydrophobicContact CG1-CE 4.26Å; I1720-M1723 WeakPolarHBondContact O-CB 3.38Å; I1720-M1723 PolarHBondContact O-N 3.15Å; I1720-M1723 VanDerWaalsContact O-N 3.13Å; Q1721-M1723 VanDerWaalsContact C-N 3.32Å; Q1721-M1723 PolarHBondContact O-N 3.06Å; M1723-Q1727 WeakPolarHBondContact O-CG 3.29Å; M1723-Q1727 PolarHBondContact O-N 3.25Å; M1723-Q1727 VanDerWaalsContact O-N 3.12Å; M1723-Q1727 PolarHBondContact O-NE2 3.13Å; M1723-Q1727 VanDerWaalsContact O-NE2 3.1Å |
| 1724 | L | 96.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.7 | -48.3 | 177.3 | -65.2 | 179.8 | 0 | 0 | 0 | 111.3 | W1636 I1720 Q1721 A1726 Q1727 S1728 L1749 T1752 L1805 A1808 A1809 L1812 | W1636-L1724 HydrophobicContact CD2-CD2 4.32Å; W1636-L1724 HydrophobicContact CE3-CD2 4.32Å; W1636-L1724 HydrophobicContact CH2-CD2 3.43Å; W1636-L1724 VanDerWaalsContact CH2-CD2 3.43Å; W1636-L1724 HydrophobicContact CZ2-CD2 3.64Å; W1636-L1724 VanDerWaalsContact CZ2-CD2 3.5Å; W1636-L1724 HydrophobicContact CZ3-CD2 3.81Å; I1720-L1724 HydrophobicContact CG2-CD1 4.14Å; I1720-L1724 HydrophobicContact CG2-CG 4.29Å; I1720-L1724 VanDerWaalsContact O-CG 3.31Å; I1720-L1724 WeakPolarHBondContact O-CG 3.39Å; I1720-L1724 PolarHBondContact O-N 3.15Å; Q1721-L1724 PolarHBondContact O-N 3.06Å; L1724-A1726 VanDerWaalsContact C-N 3.35Å; L1724-A1726 PolarHBondContact O-N 2.97Å; L1724-Q1727 WeakPolarHBondContact O-CB 3.23Å; L1724-Q1727 PolarHBondContact O-N 3.21Å; L1724-Q1727 VanDerWaalsContact O-N 3.15Å; L1724-S1728 PolarHBondContact O-N 3.1Å; L1724-S1728 PolarHBondContact O-OG 3.17Å; L1724-L1749 HydrophobicContact CD1-CD1 4.44Å; L1724-L1749 HydrophobicContact CD2-CD1 3.91Å; L1724-T1752 HydrophobicContact CD1-CG2 4.41Å; L1724-L1805 HydrophobicContact CD1-CD1 3.64Å; L1724-A1808 HydrophobicContact CB-CB 4.08Å; L1724-A1808 HydrophobicContact CD1-CB 4.46Å; L1724-A1809 HydrophobicContact CD1-CB 3.85Å; L1724-L1812 HydrophobicContact CB-CD2 4.29Å; L1724-L1812 HydrophobicContact CD2-CD2 3.55Å; L1724-L1812 VanDerWaalsContact CD2-CD2 3.47Å |
| 1725 | R | 94.9 | Very high | 91.7 | Very high | 79.8 Ų | 79.8 | 34.6 Ų | 34.6 | 30% | 0.301 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 179.6 | -157.8 | 79.8 | 167.9 | 170.6 | -2.2 | 112.2 | C1612 Q1721 Q1727 S1728 I1729 A1808 E1811 | C1612-R1725 HydrophobicContact CB-CB 4.44Å; C1612-R1725 HydrophobicContact CB-CG 3.97Å; Q1721-R1725 WeakPolarHBondContact O-CB 3.32Å; Q1721-R1725 PolarHBondContact O-N 3.02Å; R1725-Q1727 VanDerWaalsContact C-N 3.31Å; R1725-Q1727 PolarHBondContact O-N 2.99Å; R1725-S1728 WeakPolarHBondContact O-CB 3.38Å; R1725-S1728 PolarHBondContact O-N 3.09Å; R1725-S1728 VanDerWaalsContact O-N 3.16Å; R1725-I1729 HydrophobicContact CG-CD1 4.42Å; R1725-I1729 WeakPolarHBondContact O-CG1 3.35Å; R1725-I1729 PolarHBondContact O-N 3.29Å; R1725-A1808 HydrophobicContact CG-CB 3.87Å; R1725-E1811 WeakPolarHBondContact CD-OE2 3.26Å; R1725-E1811 IonicContact CZ-OE1 3.29Å; R1725-E1811 IonicContact CZ-OE2 3.36Å; R1725-E1811 VanDerWaalsContact CZ-OE2 3.24Å; R1725-E1811 IonicContact NE-OE2 3.35Å; R1725-E1811 IonicContact NH1-OE1 3.8Å; R1725-E1811 PolarHBondContact NH1-OE1 2.84Å; R1725-E1811 IonicContact NH1-OE2 3.17Å; R1725-E1811 PolarHBondContact NH1-OE2 3.3Å; R1725-E1811 IonicContact NH2-OE1 3.91Å |
| 1726 | A | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61 | -41.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1608 L1611 C1612 I1632 L1722 L1724 S1728 I1729 V1730 | L1608-A1726 HydrophobicContact CD1-CB 4.3Å; L1608-A1726 HydrophobicContact CD2-CB 3.96Å; L1611-A1726 HydrophobicContact CD2-CB 4.49Å; C1612-A1726 PolarHBondContact SG-N 3.29Å; C1612-A1726 VanDerWaalsContact SG-N 3.43Å; I1632-A1726 HydrophobicContact CD1-CB 3.81Å; L1722-A1726 WeakPolarHBondContact O-CB 3.34Å; L1722-A1726 PolarHBondContact O-N 3.26Å; L1724-A1726 VanDerWaalsContact C-N 3.35Å; L1724-A1726 PolarHBondContact O-N 2.97Å; A1726-S1728 PolarHBondContact O-N 3.12Å; A1726-I1729 WeakPolarHBondContact O-CB 3.42Å; A1726-I1729 PolarHBondContact O-N 3.1Å; A1726-V1730 WeakPolarHBondContact O-CG2 3.4Å; A1726-V1730 PolarHBondContact O-N 3.07Å |
| 1727 | Q | 97.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.3 | -42.3 | 174.1 | -69.2 | 174.8 | 90.7 | 0 | 0 | 111.9 | L1629 I1632 L1633 M1723 L1724 R1725 I1729 V1730 Y1731 Y1743 L1812 | L1629-Q1727 HydrophobicContact CD1-CB 4.29Å; L1629-Q1727 HydrophobicContact CD1-CG 3.67Å; I1632-Q1727 HydrophobicContact CB-CG 4.4Å; I1632-Q1727 HydrophobicContact CD1-CG 4.45Å; I1632-Q1727 HydrophobicContact CG2-CG 3.72Å; L1633-Q1727 VanDerWaalsContact CD2-OE1 3.26Å; M1723-Q1727 WeakPolarHBondContact O-CG 3.29Å; M1723-Q1727 PolarHBondContact O-N 3.25Å; M1723-Q1727 VanDerWaalsContact O-N 3.12Å; M1723-Q1727 PolarHBondContact O-NE2 3.13Å; M1723-Q1727 VanDerWaalsContact O-NE2 3.1Å; L1724-Q1727 WeakPolarHBondContact O-CB 3.23Å; L1724-Q1727 PolarHBondContact O-N 3.21Å; L1724-Q1727 VanDerWaalsContact O-N 3.15Å; R1725-Q1727 VanDerWaalsContact C-N 3.31Å; R1725-Q1727 PolarHBondContact O-N 2.99Å; Q1727-I1729 VanDerWaalsContact C-N 3.28Å; Q1727-I1729 PolarHBondContact O-N 3.27Å; Q1727-V1730 PolarHBondContact O-N 3.19Å; Q1727-V1730 VanDerWaalsContact O-N 3.15Å; Q1727-Y1731 WeakPolarHBondContact O-CD2 3.32Å; Q1727-Y1731 PolarHBondContact O-N 3.08Å; Q1727-Y1743 VanDerWaalsContact OE1-CE2 3.3Å; Q1727-Y1743 PolarHBondContact OE1-OH 3.04Å; Q1727-L1812 HydrophobicContact CB-CD1 3.53Å; Q1727-L1812 HydrophobicContact CB-CD2 3.89Å; Q1727-L1812 HydrophobicContact CB-CG 4.38Å |
| 1728 | S | 95.7 | Very high | 92.5 | Very high | 1.6 Ų | 1.6 | 33.9 Ų | 33.9 | 1% | 0.011 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.6 | -43.2 | 175.2 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | L1724 R1725 A1726 Y1731 K1732 E1811 L1812 | L1724-S1728 PolarHBondContact O-N 3.1Å; L1724-S1728 PolarHBondContact O-OG 3.17Å; R1725-S1728 WeakPolarHBondContact O-CB 3.38Å; R1725-S1728 PolarHBondContact O-N 3.09Å; R1725-S1728 VanDerWaalsContact O-N 3.16Å; A1726-S1728 PolarHBondContact O-N 3.12Å; S1728-Y1731 PolarHBondContact O-N 3.24Å; S1728-K1732 WeakPolarHBondContact O-CB 3.37Å; S1728-K1732 PolarHBondContact O-N 3.09Å; S1728-E1811 PolarHBondContact OG-OE2 2.88Å; S1728-L1812 WeakPolarHBondContact OG-CA 3.38Å; S1728-L1812 WeakPolarHBondContact OG-CB 3.34Å; S1728-L1812 PolarHBondContact OG-N 3.04Å |
| 1729 | I | 94.5 | Very high | 92.5 | Very high | 8.2 Ų | 8.2 | 35.6 Ų | 35.6 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 176.5 | -68.4 | 166.2 | 0 | 0 | 0 | 111.3 | L1611 C1612 L1614 R1725 A1726 Q1727 K1732 R1733 | L1611-I1729 WeakPolarHBondContact O-CD1 3.43Å; C1612-I1729 HydrophobicContact CB-CD1 4.43Å; L1614-I1729 HydrophobicContact CD1-CD1 4.49Å; L1614-I1729 HydrophobicContact CD1-CG1 4.43Å; L1614-I1729 HydrophobicContact CD2-CD1 3.81Å; L1614-I1729 HydrophobicContact CD2-CG1 4.19Å; L1614-I1729 HydrophobicContact CG-CD1 4.26Å; R1725-I1729 HydrophobicContact CG-CD1 4.42Å; R1725-I1729 WeakPolarHBondContact O-CG1 3.35Å; R1725-I1729 PolarHBondContact O-N 3.29Å; A1726-I1729 WeakPolarHBondContact O-CB 3.42Å; A1726-I1729 PolarHBondContact O-N 3.1Å; Q1727-I1729 VanDerWaalsContact C-N 3.28Å; Q1727-I1729 PolarHBondContact O-N 3.27Å; I1729-K1732 PolarHBondContact O-N 2.9Å; I1729-R1733 HydrophobicContact CG2-CG 4.46Å; I1729-R1733 VanDerWaalsContact CG2-CZ 3.49Å; I1729-R1733 WeakPolarHBondContact O-CB 3.3Å; I1729-R1733 WeakPolarHBondContact O-CG 3.34Å; I1729-R1733 PolarHBondContact O-N 3.16Å |
| 1730 | V | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.5 | -49.3 | 179 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | I1622 P1625 L1628 L1629 A1726 Q1727 R1733 Y1734 L1738 | I1622-V1730 HydrophobicContact CD1-CG2 3.95Å; P1625-V1730 HydrophobicContact CB-CG1 4.14Å; L1628-V1730 HydrophobicContact CD2-CG2 4.01Å; L1629-V1730 HydrophobicContact CB-CG1 4.41Å; A1726-V1730 WeakPolarHBondContact O-CG2 3.4Å; A1726-V1730 PolarHBondContact O-N 3.07Å; Q1727-V1730 PolarHBondContact O-N 3.19Å; Q1727-V1730 VanDerWaalsContact O-N 3.15Å; V1730-R1733 PolarHBondContact O-N 3.15Å; V1730-Y1734 HydrophobicContact CG1-CD2 4.32Å; V1730-Y1734 WeakPolarHBondContact O-CB 3.31Å; V1730-Y1734 WeakPolarHBondContact O-CD2 3.36Å; V1730-Y1734 PolarHBondContact O-N 2.93Å; V1730-L1738 HydrophobicContact CG1-CD1 3.92Å |
| 1731 | Y | 94 | Very high | 91.9 | Very high | 3.2 Ų | 3.2 | 42.6 Ų | 42.6 | 1% | 0.013 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.6 | -52.3 | 176.4 | -89.6 | -83 | 0 | 0 | 0 | 111 | L1629 Q1727 S1728 R1733 Y1734 R1735 L1738 Y1743 L1812 T1816 T1819 | L1629-Y1731 HydrophobicContact CD1-CE2 4.14Å; L1629-Y1731 HydrophobicContact CD2-CE2 3.84Å; Q1727-Y1731 WeakPolarHBondContact O-CD2 3.32Å; Q1727-Y1731 PolarHBondContact O-N 3.08Å; S1728-Y1731 PolarHBondContact O-N 3.24Å; Y1731-R1733 VanDerWaalsContact C-N 3.31Å; Y1731-R1733 PolarHBondContact O-N 2.99Å; Y1731-Y1734 PolarHBondContact O-N 3.14Å; Y1731-R1735 WeakPolarHBondContact O-CG 3.36Å; Y1731-R1735 PolarHBondContact O-N 3.14Å; Y1731-R1735 VanDerWaalsContact O-N 3.1Å; Y1731-L1738 HydrophobicContact CD1-CB 4.34Å; Y1731-L1738 HydrophobicContact CD1-CD1 3.9Å; Y1731-L1738 HydrophobicContact CD2-CD1 4.38Å; Y1731-L1738 HydrophobicContact CE1-CB 4.02Å; Y1731-L1738 HydrophobicContact CE1-CD1 3.99Å; Y1731-L1738 HydrophobicContact CE2-CD1 4.46Å; Y1731-L1738 HydrophobicContact CG-CD1 4.1Å; Y1731-Y1743 AromaticContact CE2-CD2 3.73Å; Y1731-Y1743 HydrophobicContact CE2-CD2 3.73Å; Y1731-Y1743 AromaticContact CE2-CE2 3.95Å; Y1731-Y1743 HydrophobicContact CE2-CE2 3.97Å; Y1731-Y1743 AromaticContact CZ-CD2 3.79Å; Y1731-Y1743 VanDerWaalsContact OH-CD2 3.24Å; Y1731-Y1743 WeakPolarHBondContact OH-CD2 3.34Å; Y1731-L1812 HydrophobicContact CD2-CD1 4.24Å; Y1731-T1816 HydrophobicContact CD1-CG2 4.29Å; Y1731-T1816 HydrophobicContact CD2-CG2 3.89Å; Y1731-T1816 HydrophobicContact CE1-CG2 4.13Å; Y1731-T1816 HydrophobicContact CE2-CG2 3.71Å; Y1731-T1816 HydrophobicContact CG-CG2 4.19Å; Y1731-T1819 HydrophobicContact CD1-CG2 3.97Å; Y1731-T1819 HydrophobicContact CE1-CG2 4.26Å |
| 1732 | K | 91.6 | Very high | 91.7 | Very high | 114.4 Ų | 114.4 | 45.8 Ų | 45.8 | 50% | 0.497 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -55.6 | -41.6 | -178.6 | -174.6 | 171.4 | -174.9 | 167.5 | 0 | 113.5 | S1728 I1729 R1735 E1815 | S1728-K1732 WeakPolarHBondContact O-CB 3.37Å; S1728-K1732 PolarHBondContact O-N 3.09Å; I1729-K1732 PolarHBondContact O-N 2.9Å; K1732-R1735 PolarHBondContact O-NH1 2.83Å; K1732-E1815 WeakPolarHBondContact CD-OE1 3.45Å |
| 1733 | R | 92.6 | Very high | 91.7 | Very high | 62.2 Ų | 62.2 | 45.6 Ų | 45.6 | 24% | 0.235 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -85.1 | -29.9 | -176.5 | -67.3 | -178 | -174.7 | 167.5 | 9.7 | 113.9 | N1619 W1620 I1729 V1730 Y1731 | N1619-R1733 VanDerWaalsContact CA-CZ 3.45Å; N1619-R1733 VanDerWaalsContact N-NH2 3.15Å; W1620-R1733 PolarHBondContact O-NH1 3.15Å; W1620-R1733 VanDerWaalsContact O-NH1 3.11Å; I1729-R1733 HydrophobicContact CG2-CG 4.46Å; I1729-R1733 VanDerWaalsContact CG2-CZ 3.49Å; I1729-R1733 WeakPolarHBondContact O-CB 3.3Å; I1729-R1733 WeakPolarHBondContact O-CG 3.34Å; I1729-R1733 PolarHBondContact O-N 3.16Å; V1730-R1733 PolarHBondContact O-N 3.15Å; Y1731-R1733 VanDerWaalsContact C-N 3.31Å; Y1731-R1733 PolarHBondContact O-N 2.99Å |
| 1734 | Y | 92.4 | Very high | 91.5 | Very high | 57 Ų | 57 | 48.7 Ų | 48.7 | 22% | 0.224 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -121.4 | 31.9 | -171.4 | -57.7 | -82.8 | 0 | 0 | 0 | 113.2 | I1622 P1625 V1730 Y1731 S1736 L1737 L1738 | I1622-Y1734 HydrophobicContact CB-CE2 4.08Å; I1622-Y1734 HydrophobicContact CD1-CE2 4.04Å; I1622-Y1734 HydrophobicContact CG1-CE2 4.35Å; I1622-Y1734 PolarHBondContact N-OH 3.1Å; I1622-Y1734 PolarHBondContact O-OH 3.22Å; P1625-Y1734 HydrophobicContact CB-CD1 4.33Å; P1625-Y1734 HydrophobicContact CB-CD2 3.79Å; P1625-Y1734 HydrophobicContact CB-CE2 4.12Å; P1625-Y1734 HydrophobicContact CB-CG 3.91Å; P1625-Y1734 HydrophobicContact CG-CD1 3.66Å; P1625-Y1734 HydrophobicContact CG-CD2 3.79Å; P1625-Y1734 HydrophobicContact CG-CE1 3.61Å; P1625-Y1734 HydrophobicContact CG-CE2 3.77Å; P1625-Y1734 HydrophobicContact CG-CG 3.75Å; V1730-Y1734 HydrophobicContact CG1-CD2 4.32Å; V1730-Y1734 WeakPolarHBondContact O-CB 3.31Å; V1730-Y1734 WeakPolarHBondContact O-CD2 3.36Å; V1730-Y1734 PolarHBondContact O-N 2.93Å; Y1731-Y1734 PolarHBondContact O-N 3.14Å; Y1734-S1736 VanDerWaalsContact C-N 3.27Å; Y1734-S1736 PolarHBondContact O-N 3.13Å; Y1734-L1737 WeakPolarHBondContact O-CB 3.36Å; Y1734-L1737 PolarHBondContact O-N 3.25Å; Y1734-L1738 PolarHBondContact O-N 3.03Å; Y1734-L1738 VanDerWaalsContact O-N 3.12Å |
| 1735 | R | 89.7 | Confident | 91.4 | Very high | 73 Ų | 73 | 48.7 Ų | 48.7 | 28% | 0.275 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -50.5 | -43.7 | -179.9 | -65.1 | -162.2 | -175.6 | 105 | -7.6 | 113.5 | Y1731 K1732 L1737 L1738 I1739 E1815 T1819 | Y1731-R1735 WeakPolarHBondContact O-CG 3.36Å; Y1731-R1735 PolarHBondContact O-N 3.14Å; Y1731-R1735 VanDerWaalsContact O-N 3.1Å; K1732-R1735 PolarHBondContact O-NH1 2.83Å; R1735-L1737 PolarHBondContact O-N 3.06Å; R1735-L1738 PolarHBondContact O-N 3.02Å; R1735-L1738 VanDerWaalsContact O-N 3.11Å; R1735-I1739 WeakPolarHBondContact O-CB 3.46Å; R1735-I1739 PolarHBondContact O-N 3.02Å; R1735-I1739 VanDerWaalsContact O-N 3.07Å; R1735-E1815 IonicContact CZ-OE2 3.28Å; R1735-E1815 IonicContact NE-OE2 3.13Å; R1735-E1815 PolarHBondContact NE-OE2 3.34Å; R1735-E1815 IonicContact NH2-OE1 3.19Å; R1735-E1815 PolarHBondContact NH2-OE1 3.36Å; R1735-E1815 IonicContact NH2-OE2 3.41Å; R1735-E1815 PolarHBondContact NH2-OE2 2.89Å; R1735-T1819 HydrophobicContact CB-CG2 3.99Å; R1735-T1819 WeakPolarHBondContact CD-OG1 3.34Å; R1735-T1819 HydrophobicContact CG-CG2 4.21Å; R1735-T1819 WeakPolarHBondContact CG-OG1 3.38Å |
| 1736 | S | 85.9 | Confident | 91.4 | Very high | 99.2 Ų | 99.2 | 45 Ų | 45 | 69% | 0.694 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62.2 | -28.9 | -179.8 | 54.4 | 0 | 0 | 0 | 0 | 113.6 | Y1734 I1739 | Y1734-S1736 VanDerWaalsContact C-N 3.27Å; Y1734-S1736 PolarHBondContact O-N 3.13Å; S1736-I1739 WeakPolarHBondContact O-CG2 3.34Å |
| 1737 | L | 89 | Confident | 91.3 | Very high | 87.6 Ų | 87.6 | 48 Ų | 48 | 46% | 0.459 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -81.5 | -32.2 | 176 | -177 | 62.3 | 0 | 0 | 0 | 112 | P1625 V1626 Y1734 R1735 | P1625-L1737 HydrophobicContact CB-CD2 4.41Å; P1625-L1737 HydrophobicContact CG-CD2 4.4Å; V1626-L1737 HydrophobicContact CG2-CD2 3.79Å; V1626-L1737 HydrophobicContact CG2-CG 4.12Å; Y1734-L1737 WeakPolarHBondContact O-CB 3.36Å; Y1734-L1737 PolarHBondContact O-N 3.25Å; R1735-L1737 PolarHBondContact O-N 3.06Å |
| 1738 | L | 90.1 | Very high | 91.1 | Very high | 1.8 Ų | 1.8 | 49.1 Ų | 49.1 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -97.2 | -5 | -171.9 | -64.8 | 171.5 | 0 | 0 | 0 | 114.2 | V1626 L1629 V1730 Y1731 Y1734 R1735 S1740 E1741 T1819 | V1626-L1738 HydrophobicContact CG2-CD2 4.24Å; L1629-L1738 HydrophobicContact CD2-CD1 4.39Å; L1629-L1738 HydrophobicContact CD2-CD2 3.99Å; V1730-L1738 HydrophobicContact CG1-CD1 3.92Å; Y1731-L1738 HydrophobicContact CD1-CB 4.34Å; Y1731-L1738 HydrophobicContact CD1-CD1 3.9Å; Y1731-L1738 HydrophobicContact CD2-CD1 4.38Å; Y1731-L1738 HydrophobicContact CE1-CB 4.02Å; Y1731-L1738 HydrophobicContact CE1-CD1 3.99Å; Y1731-L1738 HydrophobicContact CE2-CD1 4.46Å; Y1731-L1738 HydrophobicContact CG-CD1 4.1Å; Y1734-L1738 PolarHBondContact O-N 3.03Å; Y1734-L1738 VanDerWaalsContact O-N 3.12Å; R1735-L1738 PolarHBondContact O-N 3.02Å; R1735-L1738 VanDerWaalsContact O-N 3.11Å; L1738-S1740 VanDerWaalsContact C-N 3.27Å; L1738-S1740 PolarHBondContact O-N 3.09Å; L1738-S1740 VanDerWaalsContact O-N 3.12Å; L1738-E1741 PolarHBondContact O-N 3.21Å; L1738-E1741 VanDerWaalsContact O-N 3.12Å; L1738-T1819 HydrophobicContact CB-CG2 4.17Å |
| 1739 | I | 86.8 | Confident | 91.1 | Very high | 75.8 Ų | 75.8 | 49.1 Ų | 49.1 | 39% | 0.389 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -31.1 | -176.9 | -169.4 | 154.8 | 0 | 0 | 0 | 113.8 | R1735 S1736 T1819 S1820 L2029 | R1735-I1739 WeakPolarHBondContact O-CB 3.46Å; R1735-I1739 PolarHBondContact O-N 3.02Å; R1735-I1739 VanDerWaalsContact O-N 3.07Å; S1736-I1739 WeakPolarHBondContact O-CG2 3.34Å; I1739-T1819 VanDerWaalsContact CG1-O 3.3Å; I1739-T1819 WeakPolarHBondContact CG1-O 3.45Å; I1739-S1820 VanDerWaalsContact O-CB 3.26Å; I1739-S1820 WeakPolarHBondContact O-CB 3.36Å; I1739-S1820 PolarHBondContact O-OG 3.19Å; I1739-L2029 HydrophobicContact CD1-CD1 3.71Å; I1739-L2029 HydrophobicContact CD1-CD2 4.19Å; I1739-L2029 HydrophobicContact CG1-CD1 4.34Å |
| 1740 | S | 84.7 | Confident | 91.1 | Very high | 79.6 Ų | 79.6 | 49.3 Ų | 49.3 | 56% | 0.557 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -13.7 | 179.9 | 57.8 | 0 | 0 | 0 | 0 | 114.1 | L1738 | L1738-S1740 VanDerWaalsContact C-N 3.27Å; L1738-S1740 PolarHBondContact O-N 3.09Å; L1738-S1740 VanDerWaalsContact O-N 3.12Å |
| 1741 | E | 82.9 | Confident | 90.9 | Very high | 105.6 Ų | 105.6 | 51.8 Ų | 51.8 | 49% | 0.493 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -96.2 | 139.6 | -171.7 | -64.2 | -59.4 | 137.6 | 0 | 0 | 111.9 | L1738 N1823 | L1738-E1741 PolarHBondContact O-N 3.21Å; L1738-E1741 VanDerWaalsContact O-N 3.12Å; E1741-N1823 PolarHBondContact O-OD1 3.21Å |
| 1742 | K | 87.8 | Confident | 90.8 | Very high | 102.4 Ų | 102.4 | 52.1 Ų | 52.1 | 45% | 0.445 | 28% | 0.284 | S | S | . | . | trans | -81.6 | 132 | 171.8 | -67.4 | -174.4 | 175.3 | -160.5 | 0 | 110.4 | A1744 L1822 E1826 | K1742-A1744 PolarHBondContact O-N 3.21Å; K1742-A1744 VanDerWaalsContact O-N 3.12Å; K1742-L1822 HydrophobicContact CG-CB 4.11Å; K1742-L1822 HydrophobicContact CG-CD1 4.27Å; K1742-E1826 HydrophobicContact CB-CG 4.43Å; K1742-E1826 HydrophobicContact CD-CG 4.1Å; K1742-E1826 WeakPolarHBondContact CD-OE1 3.39Å; K1742-E1826 WeakPolarHBondContact CE-OE1 3.43Å; K1742-E1826 HydrophobicContact CG-CG 4.37Å; K1742-E1826 IonicContact NZ-OE1 3.71Å; K1742-E1826 PolarHBondContact NZ-OE1 2.98Å | ||
| 1743 | Y | 93.6 | Very high | 90.8 | Very high | 6.2 Ų | 6.2 | 46.9 Ų | 46.9 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | trans | -75.2 | 105.3 | 177.4 | -176.5 | -117.6 | 0 | 0 | 0 | 111.5 | L1629 L1633 Q1727 Y1731 G1745 Y1746 L1749 L1812 T1816 N1823 | L1629-Y1743 HydrophobicContact CD1-CE2 4.45Å; L1633-Y1743 HydrophobicContact CD1-CE2 4.42Å; L1633-Y1743 HydrophobicContact CD2-CE2 4.03Å; Q1727-Y1743 VanDerWaalsContact OE1-CE2 3.3Å; Q1727-Y1743 PolarHBondContact OE1-OH 3.04Å; Y1731-Y1743 AromaticContact CE2-CD2 3.73Å; Y1731-Y1743 HydrophobicContact CE2-CD2 3.73Å; Y1731-Y1743 AromaticContact CE2-CE2 3.95Å; Y1731-Y1743 HydrophobicContact CE2-CE2 3.97Å; Y1731-Y1743 AromaticContact CZ-CD2 3.79Å; Y1731-Y1743 VanDerWaalsContact OH-CD2 3.24Å; Y1731-Y1743 WeakPolarHBondContact OH-CD2 3.34Å; Y1743-G1745 VanDerWaalsContact C-N 3.25Å; Y1743-G1745 VanDerWaalsContact CE1-CA 3.47Å; Y1743-G1745 PolarHBondContact O-N 3.06Å; Y1743-Y1746 AromaticContact CD1-CD1 3.99Å; Y1743-Y1746 HydrophobicContact CD1-CD1 4Å; Y1743-Y1746 AromaticContact CD1-CD2 3.89Å; Y1743-Y1746 HydrophobicContact CD1-CD2 3.89Å; Y1743-Y1746 AromaticContact CD1-CE1 3.92Å; Y1743-Y1746 HydrophobicContact CD1-CE1 3.92Å; Y1743-Y1746 AromaticContact CD1-CE2 3.86Å; Y1743-Y1746 HydrophobicContact CD1-CE2 3.86Å; Y1743-Y1746 AromaticContact CD1-CG 3.94Å; Y1743-Y1746 HydrophobicContact CD1-CG 3.95Å; Y1743-Y1746 AromaticContact CD1-CZ 3.86Å; Y1743-Y1746 HydrophobicContact CE1-CD1 4.39Å; Y1743-Y1746 HydrophobicContact CE1-CE1 4.46Å; Y1743-Y1746 HydrophobicContact CG-CE2 4.36Å; Y1743-Y1746 VanDerWaalsContact O-CD2 3.28Å; Y1743-Y1746 WeakPolarHBondContact O-CD2 3.36Å; Y1743-L1749 HydrophobicContact CE1-CD2 4.09Å; Y1743-L1812 VanDerWaalsContact OH-CD2 3.23Å; Y1743-L1812 WeakPolarHBondContact OH-CD2 3.33Å; Y1743-T1816 HydrophobicContact CD1-CG2 3.73Å; Y1743-T1816 HydrophobicContact CD2-CG2 3.96Å; Y1743-T1816 HydrophobicContact CE1-CG2 4.01Å; Y1743-T1816 HydrophobicContact CE2-CG2 4.22Å; Y1743-T1816 HydrophobicContact CG-CG2 3.68Å; Y1743-N1823 WeakPolarHBondContact CB-OD1 3.33Å; Y1743-N1823 PolarHBondContact N-OD1 3.17Å | ||
| 1744 | A | 90.8 | Very high | 90.6 | Very high | 65.2 Ų | 65.2 | 46.8 Ų | 46.8 | 54% | 0.539 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -4.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1633 K1742 | L1633-A1744 HydrophobicContact CD1-CB 4.47Å; K1742-A1744 PolarHBondContact O-N 3.21Å; K1742-A1744 VanDerWaalsContact O-N 3.12Å |
| 1745 | G | 93.7 | Very high | 90.3 | Very high | 0.2 Ų | 0.2 | 46.7 Ų | 46.7 | 0% | 0.002 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -5.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y1743 M1748 L1749 | Y1743-G1745 VanDerWaalsContact C-N 3.25Å; Y1743-G1745 VanDerWaalsContact CE1-CA 3.47Å; Y1743-G1745 PolarHBondContact O-N 3.06Å; G1745-M1748 PolarHBondContact O-N 3.08Å; G1745-M1748 VanDerWaalsContact O-N 3.14Å; G1745-L1749 WeakPolarHBondContact O-CB 3.38Å; G1745-L1749 PolarHBondContact O-N 3.32Å |
| 1746 | Y | 95.1 | Very high | 90.1 | Very high | 1.6 Ų | 1.6 | 43.6 Ų | 43.6 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.7 | -43.8 | -175.5 | -77.8 | -55.5 | 0 | 0 | 0 | 115.4 | Y1743 M1748 L1749 V1750 T1816 N1823 E1826 L1827 | Y1743-Y1746 AromaticContact CD1-CD1 3.99Å; Y1743-Y1746 HydrophobicContact CD1-CD1 4Å; Y1743-Y1746 AromaticContact CD1-CD2 3.89Å; Y1743-Y1746 HydrophobicContact CD1-CD2 3.89Å; Y1743-Y1746 AromaticContact CD1-CE1 3.92Å; Y1743-Y1746 HydrophobicContact CD1-CE1 3.92Å; Y1743-Y1746 AromaticContact CD1-CE2 3.86Å; Y1743-Y1746 HydrophobicContact CD1-CE2 3.86Å; Y1743-Y1746 AromaticContact CD1-CG 3.94Å; Y1743-Y1746 HydrophobicContact CD1-CG 3.95Å; Y1743-Y1746 AromaticContact CD1-CZ 3.86Å; Y1743-Y1746 HydrophobicContact CE1-CD1 4.39Å; Y1743-Y1746 HydrophobicContact CE1-CE1 4.46Å; Y1743-Y1746 HydrophobicContact CG-CE2 4.36Å; Y1743-Y1746 VanDerWaalsContact O-CD2 3.28Å; Y1743-Y1746 WeakPolarHBondContact O-CD2 3.36Å; Y1746-M1748 VanDerWaalsContact C-N 3.26Å; Y1746-M1748 PolarHBondContact O-N 3.02Å; Y1746-L1749 HydrophobicContact CD1-CD2 4.18Å; Y1746-L1749 HydrophobicContact CE1-CD2 4.28Å; Y1746-L1749 PolarHBondContact O-N 3.04Å; Y1746-L1749 VanDerWaalsContact O-N 3.13Å; Y1746-V1750 WeakPolarHBondContact O-CB 3.32Å; Y1746-V1750 VanDerWaalsContact O-CG2 3.28Å; Y1746-V1750 WeakPolarHBondContact O-CG2 3.37Å; Y1746-V1750 PolarHBondContact O-N 3.2Å; Y1746-T1816 VanDerWaalsContact OH-CB 3.29Å; Y1746-T1816 WeakPolarHBondContact OH-CB 3.33Å; Y1746-T1816 PolarHBondContact OH-OG1 3.21Å; Y1746-N1823 HydrophobicContact CE2-CB 4.13Å; Y1746-N1823 VanDerWaalsContact CE2-O 3.3Å; Y1746-N1823 WeakPolarHBondContact CE2-O 3.43Å; Y1746-N1823 WeakPolarHBondContact OH-CB 3.43Å; Y1746-N1823 PolarHBondContact OH-O 3.31Å; Y1746-E1826 HydrophobicContact CD2-CB 3.76Å; Y1746-E1826 HydrophobicContact CE2-CB 3.95Å; Y1746-L1827 HydrophobicContact CD1-CB 4.2Å; Y1746-L1827 HydrophobicContact CD1-CD1 3.65Å; Y1746-L1827 HydrophobicContact CE1-CB 3.85Å; Y1746-L1827 HydrophobicContact CE1-CD1 3.65Å; Y1746-L1827 HydrophobicContact CE1-CG 4.26Å; Y1746-L1827 HydrophobicContact CE2-CB 4.28Å |
| 1747 | P | 93.7 | Very high | 90 | Very high | 64.2 Ų | 64.2 | 39.6 Ų | 39.6 | 42% | 0.417 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -56.9 | -40.6 | 177.8 | -24.5 | 32.1 | 0 | 0 | 0 | 112.7 | A1751 E1830 | P1747-A1751 VanDerWaalsContact O-CB 3.28Å; P1747-A1751 WeakPolarHBondContact O-CB 3.28Å; P1747-A1751 PolarHBondContact O-N 3.2Å; P1747-A1751 VanDerWaalsContact O-N 3.14Å; P1747-E1830 HydrophobicContact CG-CG 4.25Å |
| 1748 | M | 93.7 | Very high | 89.5 | Confident | 22.6 Ų | 22.6 | 39.7 Ų | 39.7 | 11% | 0.111 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -75.2 | -37.2 | 178.8 | -65.3 | 165.3 | 55.7 | 0 | 0 | 111.6 | W1636 R1637 L1640 G1745 Y1746 A1751 T1752 | W1636-M1748 VanDerWaalsContact C-CE 3.41Å; W1636-M1748 HydrophobicContact CB-CE 3.66Å; W1636-M1748 HydrophobicContact CD2-CB 4.42Å; W1636-M1748 HydrophobicContact CD2-CE 3.23Å; W1636-M1748 HydrophobicContact CE3-CB 4.34Å; W1636-M1748 HydrophobicContact CE3-CE 3.56Å; W1636-M1748 HydrophobicContact CG-CE 3.27Å; W1636-M1748 HydrophobicContact CH2-CB 3.66Å; W1636-M1748 HydrophobicContact CZ2-CB 3.73Å; W1636-M1748 HydrophobicContact CZ2-CE 4.42Å; W1636-M1748 HydrophobicContact CZ3-CB 3.97Å; W1636-M1748 HydrophobicContact CZ3-CE 4.28Å; R1637-M1748 VanDerWaalsContact CA-CE 3.44Å; R1637-M1748 HydrophobicContact CB-CE 3.91Å; R1637-M1748 HydrophobicContact CB-SD 3.97Å; R1637-M1748 HydrophobicContact CG-SD 4.33Å; L1640-M1748 HydrophobicContact CD1-CB 4.12Å; L1640-M1748 HydrophobicContact CD1-CE 3.78Å; L1640-M1748 HydrophobicContact CD1-CG 4.06Å; L1640-M1748 HydrophobicContact CG-CE 4.47Å; G1745-M1748 PolarHBondContact O-N 3.08Å; G1745-M1748 VanDerWaalsContact O-N 3.14Å; Y1746-M1748 VanDerWaalsContact C-N 3.26Å; Y1746-M1748 PolarHBondContact O-N 3.02Å; M1748-A1751 PolarHBondContact O-N 3.08Å; M1748-T1752 WeakPolarHBondContact O-CB 3.25Å; M1748-T1752 PolarHBondContact O-N 3.11Å; M1748-T1752 PolarHBondContact O-OG1 3.35Å |
| 1749 | L | 95.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.7 | -48.2 | 178.9 | -172.2 | 57.1 | 0 | 0 | 0 | 111.5 | W1636 L1724 Y1743 G1745 Y1746 A1751 T1752 I1753 A1809 L1812 T1813 | W1636-L1749 HydrophobicContact CH2-CB 3.95Å; W1636-L1749 HydrophobicContact CH2-CD1 4.22Å; L1724-L1749 HydrophobicContact CD1-CD1 4.44Å; L1724-L1749 HydrophobicContact CD2-CD1 3.91Å; Y1743-L1749 HydrophobicContact CE1-CD2 4.09Å; G1745-L1749 WeakPolarHBondContact O-CB 3.38Å; G1745-L1749 PolarHBondContact O-N 3.32Å; Y1746-L1749 HydrophobicContact CD1-CD2 4.18Å; Y1746-L1749 HydrophobicContact CE1-CD2 4.28Å; Y1746-L1749 PolarHBondContact O-N 3.04Å; Y1746-L1749 VanDerWaalsContact O-N 3.13Å; L1749-A1751 VanDerWaalsContact C-N 3.34Å; L1749-A1751 PolarHBondContact O-N 3.21Å; L1749-T1752 WeakPolarHBondContact O-CB 3.36Å; L1749-T1752 PolarHBondContact O-N 3.14Å; L1749-T1752 VanDerWaalsContact O-N 3.16Å; L1749-I1753 HydrophobicContact CD1-CD1 4.48Å; L1749-I1753 HydrophobicContact CG-CD1 4.25Å; L1749-I1753 WeakPolarHBondContact O-CG1 3.37Å; L1749-I1753 PolarHBondContact O-N 3.2Å; L1749-A1809 HydrophobicContact CD1-CB 3.83Å; L1749-L1812 HydrophobicContact CD1-CD2 4.25Å; L1749-L1812 HydrophobicContact CD2-CD2 4.42Å; L1749-L1812 HydrophobicContact CD2-CG 4.29Å; L1749-T1813 WeakPolarHBondContact CD2-OG1 3.42Å |
| 1750 | V | 94.1 | Very high | 87.3 | Confident | 12.4 Ų | 12.4 | 44.6 Ų | 44.6 | 8% | 0.075 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 176.5 | 174 | 0 | 0 | 0 | 0 | 110.5 | Y1746 T1752 I1753 L1754 L1827 E1830 V1835 | Y1746-V1750 WeakPolarHBondContact O-CB 3.32Å; Y1746-V1750 VanDerWaalsContact O-CG2 3.28Å; Y1746-V1750 WeakPolarHBondContact O-CG2 3.37Å; Y1746-V1750 PolarHBondContact O-N 3.2Å; V1750-T1752 VanDerWaalsContact C-N 3.32Å; V1750-T1752 PolarHBondContact O-N 3.29Å; V1750-I1753 PolarHBondContact O-N 3.25Å; V1750-L1754 HydrophobicContact CG1-CD1 4.21Å; V1750-L1754 WeakPolarHBondContact O-CB 3.32Å; V1750-L1754 WeakPolarHBondContact O-CG 3.25Å; V1750-L1754 PolarHBondContact O-N 3.14Å; V1750-L1827 HydrophobicContact CG2-CD1 4.43Å; V1750-E1830 HydrophobicContact CG2-CB 4.47Å; V1750-V1835 HydrophobicContact CG1-CB 4.14Å; V1750-V1835 HydrophobicContact CG1-CG1 4.24Å; V1750-V1835 HydrophobicContact CG1-CG2 3.65Å |
| 1751 | A | 91.1 | Very high | 86.1 | Confident | 52.4 Ų | 52.4 | 47.9 Ų | 47.9 | 43% | 0.433 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | P1747 M1748 L1749 L1754 A1755 | P1747-A1751 VanDerWaalsContact O-CB 3.28Å; P1747-A1751 WeakPolarHBondContact O-CB 3.28Å; P1747-A1751 PolarHBondContact O-N 3.2Å; P1747-A1751 VanDerWaalsContact O-N 3.14Å; M1748-A1751 PolarHBondContact O-N 3.08Å; L1749-A1751 VanDerWaalsContact C-N 3.34Å; L1749-A1751 PolarHBondContact O-N 3.21Å; A1751-L1754 PolarHBondContact O-N 3.27Å; A1751-A1755 WeakPolarHBondContact O-CB 3.4Å; A1751-A1755 PolarHBondContact O-N 3.19Å |
| 1752 | T | 91.4 | Very high | 84.9 | Confident | 10.4 Ų | 10.4 | 43 Ų | 43 | 6% | 0.064 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.1 | -46 | 176.8 | -59.6 | 0 | 0 | 0 | 0 | 111.4 | W1636 I1720 L1724 M1748 L1749 V1750 L1754 A1755 E1756 L1805 | W1636-T1752 WeakPolarHBondContact CZ2-OG1 3.15Å; I1720-T1752 HydrophobicContact CG2-CG2 4.35Å; L1724-T1752 HydrophobicContact CD1-CG2 4.41Å; M1748-T1752 WeakPolarHBondContact O-CB 3.25Å; M1748-T1752 PolarHBondContact O-N 3.11Å; M1748-T1752 PolarHBondContact O-OG1 3.35Å; L1749-T1752 WeakPolarHBondContact O-CB 3.36Å; L1749-T1752 PolarHBondContact O-N 3.14Å; L1749-T1752 VanDerWaalsContact O-N 3.16Å; V1750-T1752 VanDerWaalsContact C-N 3.32Å; V1750-T1752 PolarHBondContact O-N 3.29Å; T1752-L1754 VanDerWaalsContact C-N 3.34Å; T1752-L1754 PolarHBondContact O-N 3.02Å; T1752-A1755 PolarHBondContact O-N 3.37Å; T1752-E1756 WeakPolarHBondContact O-CG 3.24Å; T1752-E1756 PolarHBondContact O-N 3.04Å; T1752-E1756 VanDerWaalsContact O-N 3.08Å; T1752-L1805 HydrophobicContact CG2-CD1 4.33Å; T1752-L1805 HydrophobicContact CG2-CD2 4.11Å; T1752-L1805 HydrophobicContact CG2-CG 4.18Å |
| 1753 | I | 91.8 | Very high | 83.5 | Confident | 3.6 Ų | 3.6 | 38.8 Ų | 38.8 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61 | -46.1 | 176.8 | -66.3 | 168.6 | 0 | 0 | 0 | 110.3 | L1749 V1750 A1755 E1756 I1757 L1806 A1809 T1810 V1835 L1836 A1839 | L1749-I1753 HydrophobicContact CD1-CD1 4.48Å; L1749-I1753 HydrophobicContact CG-CD1 4.25Å; L1749-I1753 WeakPolarHBondContact O-CG1 3.37Å; L1749-I1753 PolarHBondContact O-N 3.2Å; V1750-I1753 PolarHBondContact O-N 3.25Å; I1753-A1755 VanDerWaalsContact C-N 3.33Å; I1753-A1755 PolarHBondContact O-N 3.16Å; I1753-E1756 PolarHBondContact O-N 3.03Å; I1753-I1757 HydrophobicContact CG2-CD1 3.61Å; I1753-I1757 VanDerWaalsContact CG2-CD1 3.49Å; I1753-I1757 HydrophobicContact CG2-CG1 4.33Å; I1753-I1757 HydrophobicContact CG2-CG2 4.46Å; I1753-I1757 VanDerWaalsContact O-CD1 3.24Å; I1753-I1757 WeakPolarHBondContact O-CD1 3.38Å; I1753-I1757 WeakPolarHBondContact O-CG1 3.41Å; I1753-I1757 WeakPolarHBondContact O-CG2 3.3Å; I1753-I1757 PolarHBondContact O-N 3.2Å; I1753-I1757 VanDerWaalsContact O-N 3.11Å; I1753-L1806 HydrophobicContact CG1-CD1 4.48Å; I1753-L1806 HydrophobicContact CG2-CD1 4.01Å; I1753-A1809 HydrophobicContact CD1-CB 4.22Å; I1753-A1809 HydrophobicContact CG1-CB 3.63Å; I1753-T1810 HydrophobicContact CD1-CG2 4.5Å; I1753-V1835 HydrophobicContact CB-CG1 3.97Å; I1753-V1835 HydrophobicContact CG2-CG1 3.54Å; I1753-L1836 HydrophobicContact CD1-CD2 4.1Å; I1753-A1839 HydrophobicContact CG2-CB 4.34Å |
| 1754 | L | 90 | Very high | 81.7 | Confident | 60.6 Ų | 60.6 | 41.7 Ų | 41.7 | 32% | 0.317 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59 | -42.9 | 176.3 | -82.6 | 175.2 | 0 | 0 | 0 | 112.9 | V1750 A1751 T1752 E1756 I1757 S1758 V1835 | V1750-L1754 HydrophobicContact CG1-CD1 4.21Å; V1750-L1754 WeakPolarHBondContact O-CB 3.32Å; V1750-L1754 WeakPolarHBondContact O-CG 3.25Å; V1750-L1754 PolarHBondContact O-N 3.14Å; A1751-L1754 PolarHBondContact O-N 3.27Å; T1752-L1754 VanDerWaalsContact C-N 3.34Å; T1752-L1754 PolarHBondContact O-N 3.02Å; L1754-E1756 VanDerWaalsContact C-N 3.31Å; L1754-E1756 PolarHBondContact O-N 3.34Å; L1754-I1757 HydrophobicContact CD2-CD1 3.88Å; L1754-I1757 WeakPolarHBondContact O-CG1 3.39Å; L1754-I1757 PolarHBondContact O-N 3.29Å; L1754-S1758 WeakPolarHBondContact O-CB 3.34Å; L1754-S1758 PolarHBondContact O-N 3.29Å; L1754-S1758 VanDerWaalsContact O-N 3.15Å; L1754-S1758 PolarHBondContact O-OG 3.07Å; L1754-V1835 HydrophobicContact CD1-CG2 3.81Å; L1754-V1835 HydrophobicContact CD2-CB 4.24Å; L1754-V1835 HydrophobicContact CD2-CG1 3.84Å; L1754-V1835 HydrophobicContact CD2-CG2 3.63Å; L1754-V1835 HydrophobicContact CG-CB 4.27Å; L1754-V1835 HydrophobicContact CG-CG1 3.65Å; L1754-V1835 HydrophobicContact CG-CG2 3.63Å |
| 1755 | A | 86 | Confident | 79.6 | Confident | 56 Ų | 56 | 45 Ų | 45 | 46% | 0.463 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1751 T1752 I1753 S1758 | A1751-A1755 WeakPolarHBondContact O-CB 3.4Å; A1751-A1755 PolarHBondContact O-N 3.19Å; T1752-A1755 PolarHBondContact O-N 3.37Å; I1753-A1755 VanDerWaalsContact C-N 3.33Å; I1753-A1755 PolarHBondContact O-N 3.16Å; A1755-S1758 PolarHBondContact O-N 3.01Å |
| 1756 | E | 85.6 | Confident | 77.3 | Confident | 7.8 Ų | 7.8 | 45.9 Ų | 45.9 | 4% | 0.036 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -72.1 | -38.6 | -179.7 | -80.5 | -37 | 134.7 | 0 | 0 | 113.3 | R1717 T1752 I1753 L1754 S1758 D1759 L1762 L1805 L1806 | R1717-E1756 IonicContact CZ-OE1 3.29Å; R1717-E1756 IonicContact CZ-OE2 3.1Å; R1717-E1756 IonicContact NE-OE1 3.71Å; R1717-E1756 VanDerWaalsContact NH1-CD 3.3Å; R1717-E1756 IonicContact NH1-OE1 3.26Å; R1717-E1756 PolarHBondContact NH1-OE1 3.31Å; R1717-E1756 IonicContact NH1-OE2 3.35Å; R1717-E1756 PolarHBondContact NH1-OE2 3.27Å; R1717-E1756 IonicContact NH2-OE1 2.85Å; R1717-E1756 PolarHBondContact NH2-OE1 3.25Å; R1717-E1756 IonicContact NH2-OE2 3.02Å; R1717-E1756 PolarHBondContact NH2-OE2 3.15Å; T1752-E1756 WeakPolarHBondContact O-CG 3.24Å; T1752-E1756 PolarHBondContact O-N 3.04Å; T1752-E1756 VanDerWaalsContact O-N 3.08Å; I1753-E1756 PolarHBondContact O-N 3.03Å; L1754-E1756 VanDerWaalsContact C-N 3.31Å; L1754-E1756 PolarHBondContact O-N 3.34Å; E1756-S1758 VanDerWaalsContact C-N 3.26Å; E1756-S1758 PolarHBondContact O-N 3.21Å; E1756-D1759 PolarHBondContact O-N 3.17Å; E1756-L1762 HydrophobicContact CB-CD2 4.3Å; E1756-L1762 HydrophobicContact CG-CD1 4.44Å; E1756-L1762 HydrophobicContact CG-CD2 4.04Å; E1756-L1762 WeakPolarHBondContact O-CD2 3.49Å; E1756-L1805 HydrophobicContact CG-CB 4.43Å; E1756-L1805 HydrophobicContact CG-CD2 4.05Å; E1756-L1805 HydrophobicContact CG-CG 4.19Å; E1756-L1805 WeakPolarHBondContact OE1-CD2 3.22Å; E1756-L1806 HydrophobicContact CB-CB 4.36Å; E1756-L1806 HydrophobicContact CB-CD1 4.41Å; E1756-L1806 HydrophobicContact CG-CB 4.16Å |
| 1757 | I | 82.9 | Confident | 74.9 | Confident | 14.6 Ų | 14.6 | 48.6 Ų | 48.6 | 8% | 0.075 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.8 | -29.4 | 174.8 | -54.2 | 165.7 | 0 | 0 | 0 | 111.8 | I1753 L1754 D1759 L1806 V1835 K1838 A1839 Q1842 | I1753-I1757 HydrophobicContact CG2-CD1 3.61Å; I1753-I1757 VanDerWaalsContact CG2-CD1 3.49Å; I1753-I1757 HydrophobicContact CG2-CG1 4.33Å; I1753-I1757 HydrophobicContact CG2-CG2 4.46Å; I1753-I1757 VanDerWaalsContact O-CD1 3.24Å; I1753-I1757 WeakPolarHBondContact O-CD1 3.38Å; I1753-I1757 WeakPolarHBondContact O-CG1 3.41Å; I1753-I1757 WeakPolarHBondContact O-CG2 3.3Å; I1753-I1757 PolarHBondContact O-N 3.2Å; I1753-I1757 VanDerWaalsContact O-N 3.11Å; L1754-I1757 HydrophobicContact CD2-CD1 3.88Å; L1754-I1757 WeakPolarHBondContact O-CG1 3.39Å; L1754-I1757 PolarHBondContact O-N 3.29Å; I1757-D1759 VanDerWaalsContact C-N 3.31Å; I1757-D1759 PolarHBondContact O-N 3.12Å; I1757-L1806 HydrophobicContact CG1-CD1 4.44Å; I1757-V1835 HydrophobicContact CD1-CG1 4.34Å; I1757-K1838 HydrophobicContact CD1-CB 4.11Å; I1757-K1838 HydrophobicContact CD1-CD 4.27Å; I1757-K1838 HydrophobicContact CG2-CB 4.45Å; I1757-A1839 VanDerWaalsContact CD1-CA 3.47Å; I1757-A1839 HydrophobicContact CD1-CB 3.5Å; I1757-A1839 HydrophobicContact CG1-CB 3.95Å; I1757-A1839 HydrophobicContact CG2-CB 3.66Å; I1757-Q1842 VanDerWaalsContact CB-OE1 3.32Å; I1757-Q1842 VanDerWaalsContact CG2-CD 3.49Å; I1757-Q1842 VanDerWaalsContact CG2-NE2 3.29Å; I1757-Q1842 VanDerWaalsContact CG2-OE1 3.23Å; I1757-Q1842 PolarHBondContact O-NE2 3.12Å; I1757-Q1842 VanDerWaalsContact O-NE2 3.11Å; I1757-Q1842 PolarHBondContact O-OE1 3.05Å |
| 1758 | S | 78.4 | Confident | 72.4 | Confident | 90 Ų | 90 | 52.3 Ų | 52.3 | 63% | 0.629 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -11.9 | -178.4 | -55.6 | 0 | 0 | 0 | 0 | 113.1 | L1754 A1755 E1756 D1760 | L1754-S1758 WeakPolarHBondContact O-CB 3.34Å; L1754-S1758 PolarHBondContact O-N 3.29Å; L1754-S1758 VanDerWaalsContact O-N 3.15Å; L1754-S1758 PolarHBondContact O-OG 3.07Å; A1755-S1758 PolarHBondContact O-N 3.01Å; E1756-S1758 VanDerWaalsContact C-N 3.26Å; E1756-S1758 PolarHBondContact O-N 3.21Å; S1758-D1760 PolarHBondContact O-N 3.21Å |
| 1759 | D | 71.1 | Confident | 69.7 | Low | 46.4 Ų | 46.4 | 55 Ų | 55 | 25% | 0.248 | 32% | 0.316 | C | S | . | . | trans | -89.1 | 90.9 | 175.3 | -170.4 | -0.2 | 0 | 0 | 0 | 110.4 | R1717 E1756 I1757 K1761 L1762 | R1717-D1759 IonicContact NH2-OD2 3.87Å; E1756-D1759 PolarHBondContact O-N 3.17Å; I1757-D1759 VanDerWaalsContact C-N 3.31Å; I1757-D1759 PolarHBondContact O-N 3.12Å; D1759-K1761 PolarHBondContact O-N 3.24Å; D1759-K1761 WeakPolarHBondContact OD1-CB 3.44Å; D1759-K1761 PolarHBondContact OD1-N 3.33Å; D1759-L1762 VanDerWaalsContact O-CB 3.23Å; D1759-L1762 WeakPolarHBondContact O-CB 3.34Å; D1759-L1762 PolarHBondContact O-N 3.2Å | ||
| 1760 | D | 59.2 | Low | 67 | Low | 134 Ų | 134 | 58.4 Ų | 58.4 | 72% | 0.717 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -24.2 | -179.6 | -74.2 | -28.4 | 0 | 0 | 0 | 113.6 | S1758 L1762 | S1758-D1760 PolarHBondContact O-N 3.21Å; D1760-L1762 VanDerWaalsContact C-N 3.29Å; D1760-L1762 PolarHBondContact O-N 3.23Å |
| 1761 | K | 59.7 | Low | 64.1 | Low | 147.8 Ų | 147.8 | 64.3 Ų | 64.3 | 64% | 0.643 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -17.6 | -179.3 | -64.4 | 178.9 | -176.8 | 168.6 | 0 | 113.1 | D1759 F1763 S1764 | D1759-K1761 PolarHBondContact O-N 3.24Å; D1759-K1761 WeakPolarHBondContact OD1-CB 3.44Å; D1759-K1761 PolarHBondContact OD1-N 3.33Å; K1761-F1763 VanDerWaalsContact C-N 3.3Å; K1761-F1763 PolarHBondContact O-N 3.13Å; K1761-S1764 PolarHBondContact O-N 3.21Å; K1761-S1764 PolarHBondContact O-OG 3.03Å |
| 1762 | L | 57.2 | Low | 61.3 | Low | 3.6 Ų | 3.6 | 69 Ų | 69 | 2% | 0.019 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.2 | -42.2 | -177.6 | -166.6 | 72.3 | 0 | 0 | 0 | 112.3 | E1756 D1759 D1760 N1802 A1803 L1806 | E1756-L1762 HydrophobicContact CB-CD2 4.3Å; E1756-L1762 HydrophobicContact CG-CD1 4.44Å; E1756-L1762 HydrophobicContact CG-CD2 4.04Å; E1756-L1762 WeakPolarHBondContact O-CD2 3.49Å; D1759-L1762 VanDerWaalsContact O-CB 3.23Å; D1759-L1762 WeakPolarHBondContact O-CB 3.34Å; D1759-L1762 PolarHBondContact O-N 3.2Å; D1760-L1762 VanDerWaalsContact C-N 3.29Å; D1760-L1762 PolarHBondContact O-N 3.23Å; L1762-N1802 VanDerWaalsContact CD1-C 3.46Å; L1762-N1802 HydrophobicContact CD1-CB 3.41Å; L1762-N1802 VanDerWaalsContact CD1-CB 3.49Å; L1762-A1803 VanDerWaalsContact CD1-CA 3.49Å; L1762-A1803 HydrophobicContact CD1-CB 4.06Å; L1762-A1803 VanDerWaalsContact CD1-N 3.34Å; L1762-A1803 HydrophobicContact CG-CB 4.34Å; L1762-L1806 HydrophobicContact CD2-CD2 4.18Å |
| 1763 | F | 58.6 | Low | 58.3 | Low | 15.2 Ų | 15.2 | 78 Ų | 78 | 7% | 0.067 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -90.9 | -15.2 | -170.9 | -58.1 | -76.6 | 0 | 0 | 0 | 114.1 | K1761 Y1765 L1806 Q1842 C1843 F1846 V1858 | K1761-F1763 VanDerWaalsContact C-N 3.3Å; K1761-F1763 PolarHBondContact O-N 3.13Å; F1763-Y1765 VanDerWaalsContact C-N 3.32Å; F1763-Y1765 PolarHBondContact O-N 3.11Å; F1763-L1806 HydrophobicContact CE1-CD2 4.29Å; F1763-L1806 HydrophobicContact CZ-CD2 4.2Å; F1763-Q1842 HydrophobicContact CD2-CG 3.95Å; F1763-Q1842 HydrophobicContact CE2-CB 4.3Å; F1763-Q1842 HydrophobicContact CE2-CG 3.69Å; F1763-Q1842 VanDerWaalsContact CE2-OE1 3.27Å; F1763-Q1842 HydrophobicContact CZ-CB 4.16Å; F1763-Q1842 HydrophobicContact CZ-CG 4.03Å; F1763-C1843 VanDerWaalsContact CE1-SG 3.54Å; F1763-F1846 HydrophobicContact CB-CD1 4.3Å; F1763-F1846 HydrophobicContact CB-CD2 3.76Å; F1763-F1846 HydrophobicContact CB-CE1 3.86Å; F1763-F1846 HydrophobicContact CB-CE2 3.29Å; F1763-F1846 HydrophobicContact CB-CG 4.26Å; F1763-F1846 HydrophobicContact CB-CZ 3.35Å; F1763-F1846 AromaticContact CD1-CD2 3.91Å; F1763-F1846 HydrophobicContact CD1-CD2 3.91Å; F1763-F1846 AromaticContact CD1-CE2 3.79Å; F1763-F1846 HydrophobicContact CD1-CE2 4.01Å; F1763-F1846 AromaticContact CD2-CE2 3.99Å; F1763-F1846 HydrophobicContact CD2-CE2 4.08Å; F1763-F1846 AromaticContact CG-CD2 3.9Å; F1763-F1846 HydrophobicContact CG-CD2 3.9Å; F1763-F1846 AromaticContact CG-CE2 3.52Å; F1763-F1846 HydrophobicContact CG-CE2 3.52Å; F1763-F1846 VanDerWaalsContact CG-CE2 3.46Å; F1763-F1846 AromaticContact CG-CZ 3.94Å; F1763-F1846 HydrophobicContact CG-CZ 4.08Å; F1763-V1858 HydrophobicContact CD1-CG1 4.12Å; F1763-V1858 HydrophobicContact CE1-CG1 4.34Å |
| 1764 | S | 56.1 | Low | 55.2 | Low | 66.4 Ų | 66.4 | 83 Ų | 83 | 46% | 0.464 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.1 | -24.7 | -176.6 | 61.3 | 0 | 0 | 0 | 0 | 114.1 | K1761 | K1761-S1764 PolarHBondContact O-N 3.21Å; K1761-S1764 PolarHBondContact O-OG 3.03Å |
| 1765 | Y | 46.6 | Very low | 52.2 | Low | 133.6 Ų | 133.6 | 87.1 Ų | 87.1 | 52% | 0.524 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -113.1 | -24.8 | -177.2 | -75.2 | -80.1 | 0 | 0 | 0 | 114.7 | F1763 A1767 Q1768 T1799 | F1763-Y1765 VanDerWaalsContact C-N 3.32Å; F1763-Y1765 PolarHBondContact O-N 3.11Å; Y1765-A1767 PolarHBondContact O-N 3.24Å; Y1765-A1767 VanDerWaalsContact O-N 3.11Å; Y1765-Q1768 PolarHBondContact O-N 3.07Å; Y1765-Q1768 VanDerWaalsContact O-N 3.11Å; Y1765-T1799 HydrophobicContact CD2-CG2 4.24Å |
| 1766 | G | 45.9 | Very low | 49.4 | Very low | 19.6 Ų | 19.6 | 92 Ų | 92 | 20% | 0.202 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -10.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1767 | A | 44.4 | Very low | 46.5 | Very low | 57.4 Ų | 57.4 | 97 Ų | 97 | 47% | 0.474 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -16.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y1765 | Y1765-A1767 PolarHBondContact O-N 3.24Å; Y1765-A1767 VanDerWaalsContact O-N 3.11Å |
| 1768 | Q | 41.3 | Very low | 43.8 | Very low | 143.2 Ų | 143.2 | 102.8 Ų | 102.8 | 67% | 0.669 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -6.5 | -170.1 | -69.9 | -178 | -7.8 | 0 | 0 | 114.9 | Y1765 S1770 E1771 | Y1765-Q1768 PolarHBondContact O-N 3.07Å; Y1765-Q1768 VanDerWaalsContact O-N 3.11Å; Q1768-S1770 PolarHBondContact O-N 3.26Å; Q1768-E1771 PolarHBondContact O-N 3.43Å |
| 1769 | T | 37.9 | Very low | 41.4 | Very low | 80 Ų | 80 | 106.1 Ų | 106.1 | 49% | 0.491 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76 | 46.7 | -174.3 | 50.7 | 0 | 0 | 0 | 0 | 113.9 | V1800 | T1769-V1800 HydrophobicContact CG2-CG2 4.28Š|
| 1770 | S | 36.9 | Very low | 39.3 | Very low | 72.4 Ų | 72.4 | 110.1 Ų | 110.1 | 51% | 0.506 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -149.3 | 4.4 | 171.6 | -61.5 | 0 | 0 | 0 | 0 | 116.1 | Q1768 H1856 | Q1768-S1770 PolarHBondContact O-N 3.26Å; S1770-H1856 PolarHBondContact OG-NE2 3.36Å; S1770-H1856 VanDerWaalsContact OG-NE2 3.08Å |
| 1771 | E | 34.2 | Very low | 37.8 | Very low | 134.6 Ų | 134.6 | 109.6 Ų | 109.6 | 63% | 0.629 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -98.6 | -2.3 | 178.3 | -72.4 | -172.3 | 164.7 | 0 | 0 | 114.6 | Q1768 Q1773 R1853 | Q1768-E1771 PolarHBondContact O-N 3.43Å; E1771-Q1773 PolarHBondContact O-N 3.39Å; E1771-R1853 IonicContact OE1-NH2 3.2Å; E1771-R1853 PolarHBondContact OE1-NH2 3.29Å |
| 1772 | D | 32 | Very low | 36.3 | Very low | 152.6 Ų | 152.6 | 110.1 Ų | 110.1 | 82% | 0.816 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 43.4 | 178.8 | -73.6 | -17.3 | 0 | 0 | 0 | 116 | T1774 | D1772-T1774 HydrophobicContact CB-CG2 4.08Å; D1772-T1774 PolarHBondContact O-N 3.33Å; D1772-T1774 VanDerWaalsContact O-N 3.15Å |
| 1773 | Q | 28.6 | Very low | 34.9 | Very low | 198.8 Ų | 198.8 | 116.7 Ų | 116.7 | 93% | 0.929 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | 30 | 158.5 | -83.2 | -170.8 | 25.5 | 0 | 0 | 112.6 | E1771 | E1771-Q1773 PolarHBondContact O-N 3.39Š|
| 1774 | T | 26.4 | Very low | 33.4 | Very low | 107.6 Ų | 107.6 | 123.5 Ų | 123.5 | 66% | 0.66 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -104.1 | 118.9 | 165.7 | 48 | 0 | 0 | 0 | 0 | 109.4 | D1772 N1776 | D1772-T1774 HydrophobicContact CB-CG2 4.08Å; D1772-T1774 PolarHBondContact O-N 3.33Å; D1772-T1774 VanDerWaalsContact O-N 3.15Å; T1774-N1776 PolarHBondContact O-N 3.3Å |
| 1775 | D | 27.6 | Very low | 32.3 | Very low | 148 Ų | 148 | 125.5 Ų | 125.5 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | trans | 28 | 85.1 | 161.3 | -59.5 | -32.3 | 0 | 0 | 0 | 116.2 | T1777 | D1775-T1777 VanDerWaalsContact C-N 3.35Š| ||
| 1776 | N | 26.7 | Very low | 31.5 | Very low | 158.6 Ų | 158.6 | 128.2 Ų | 128.2 | 85% | 0.848 | 71% | 0.712 | S | S | * | * | trans | -114.6 | 64 | 156.7 | -109.5 | -20.5 | 0 | 0 | 0 | 109.3 | T1774 D1778 | T1774-N1776 PolarHBondContact O-N 3.3Å; N1776-D1778 VanDerWaalsContact C-N 3.32Å; N1776-D1778 PolarHBondContact O-N 2.93Å | ||
| 1777 | T | 24.8 | Very low | 30.6 | Very low | 112.2 Ų | 112.2 | 132.6 Ų | 132.6 | 69% | 0.688 | 74% | 0.739 | S | S | * | * | trans | -67.7 | 125.3 | 146.8 | 39.9 | 0 | 0 | 0 | 0 | 107.6 | D1775 | D1775-T1777 VanDerWaalsContact C-N 3.35Š| ||
| 1778 | D | 27.3 | Very low | 29.8 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | 98 | 85.6 | 167.5 | -56.5 | -22.3 | 0 | 0 | 0 | 115.7 | N1776 | N1776-D1778 VanDerWaalsContact C-N 3.32Å; N1776-D1778 PolarHBondContact O-N 2.93Å | ||
| 1779 | N | 27.8 | Very low | 29.4 | Very low | 159.2 Ų | 159.2 | 131 Ų | 131 | 85% | 0.851 | 74% | 0.744 | S | S | * | * | trans | -160.5 | 86.7 | 131.4 | -100.4 | -30.1 | 0 | 0 | 0 | 111.7 | T1781 | N1779-T1781 PolarHBondContact O-N 3.34Š| ||
| 1780 | T | 25.6 | Very low | 29 | Very low | 131.2 Ų | 131.2 | 131.5 Ų | 131.5 | 81% | 0.805 | 75% | 0.752 | S | S | * | * | trans | -74.9 | 99.8 | 160.5 | -28.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1781 | T | 28 | Very low | 28.7 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | 162.8 | 113.2 | 155.1 | 26.5 | 0 | 0 | 0 | 0 | 113.8 | N1779 | N1779-T1781 PolarHBondContact O-N 3.34Š| ||
| 1782 | N | 28.4 | Very low | 28.7 | Very low | 158.4 Ų | 158.4 | 132.8 Ų | 132.8 | 85% | 0.847 | 76% | 0.757 | S | S | * | * | trans | 146 | 94.7 | 138.4 | -95.2 | -18.2 | 0 | 0 | 0 | 114 | N1784 | N1782-N1784 PolarHBondContact O-N 3.12Š| ||
| 1783 | N | 27 | Very low | 28.8 | Very low | 143.4 Ų | 143.4 | 133.2 Ų | 133.2 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | trans | -57.5 | 124.6 | 153.4 | -68.2 | -32.5 | 0 | 0 | 0 | 109.8 | ||||
| 1784 | N | 29 | Very low | 29.1 | Very low | 157.2 Ų | 157.2 | 128.9 Ų | 128.9 | 84% | 0.841 | 74% | 0.735 | S | S | * | * | trans | 152.9 | 77 | 148.3 | -76.4 | -17.8 | 0 | 0 | 0 | 112.2 | N1782 | N1782-N1784 PolarHBondContact O-N 3.12Š| ||
| 1785 | S | 31.8 | Very low | 29.5 | Very low | 107.6 Ų | 107.6 | 129.9 Ų | 129.9 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | trans | 179.7 | 58.2 | 154 | 41.4 | 0 | 0 | 0 | 0 | 111.3 | S1787 | S1785-S1787 PolarHBondContact O-N 3.22Å; S1785-S1787 VanDerWaalsContact O-N 3.15Å | ||
| 1786 | Q | 29 | Very low | 30.1 | Very low | 191.8 Ų | 191.8 | 125.4 Ų | 125.4 | 90% | 0.896 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | 54.3 | 178.6 | -93 | 168 | -19.8 | 0 | 0 | 112.6 | ||
| 1787 | S | 27.8 | Very low | 30.8 | Very low | 111.8 Ų | 111.8 | 122.8 Ų | 122.8 | 78% | 0.782 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.8 | -13.7 | 167.9 | 51.8 | 0 | 0 | 0 | 0 | 115.6 | S1785 | S1785-S1787 PolarHBondContact O-N 3.22Å; S1785-S1787 VanDerWaalsContact O-N 3.15Å |
| 1788 | S | 28.3 | Very low | 31.7 | Very low | 94.2 Ų | 94.2 | 123.1 Ų | 123.1 | 66% | 0.659 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -107.9 | -11.1 | -178 | -60.6 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1789 | A | 32.1 | Very low | 32.4 | Very low | 71.6 Ų | 71.6 | 117.8 Ų | 117.8 | 59% | 0.592 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -79.3 | -25.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N1791 N1792 K1793 | A1789-N1791 VanDerWaalsContact C-N 3.31Å; A1789-N1791 PolarHBondContact O-N 3.18Å; A1789-N1792 PolarHBondContact O-N 3.22Å; A1789-K1793 PolarHBondContact O-N 3.19Å |
| 1790 | S | 30.3 | Very low | 33.5 | Very low | 92 Ų | 92 | 113.4 Ų | 113.4 | 64% | 0.643 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.3 | -28.8 | -179.5 | -171.3 | 0 | 0 | 0 | 0 | 112.9 | N1794 | S1790-N1794 PolarHBondContact O-N 3.32Å |
| 1791 | N | 29.6 | Very low | 34.8 | Very low | 119 Ų | 119 | 111.9 Ų | 111.9 | 64% | 0.636 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -79.1 | -24.3 | -178.8 | -114.9 | 0.7 | 0 | 0 | 0 | 113 | A1789 K1795 | A1789-N1791 VanDerWaalsContact C-N 3.31Å; A1789-N1791 PolarHBondContact O-N 3.18Å; N1791-K1795 WeakPolarHBondContact O-CG 3.48Å; N1791-K1795 PolarHBondContact O-N 3.15Å |
| 1792 | N | 33.5 | Very low | 35.8 | Very low | 114.4 Ų | 114.4 | 107 Ų | 107 | 61% | 0.612 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -77.5 | -35.2 | 178.3 | -95.9 | 3.9 | 0 | 0 | 0 | 113 | A1789 N1794 K1795 S1796 | A1789-N1792 PolarHBondContact O-N 3.22Å; N1792-N1794 VanDerWaalsContact C-N 3.35Å; N1792-N1794 PolarHBondContact O-N 3.31Å; N1792-K1795 PolarHBondContact O-N 3.16Å; N1792-S1796 PolarHBondContact O-N 3.11Å; N1792-S1796 VanDerWaalsContact O-N 3.09Å; N1792-S1796 PolarHBondContact O-OG 3.22Å |
| 1793 | K | 34.2 | Very low | 37.3 | Very low | 160.8 Ų | 160.8 | 99.6 Ų | 99.6 | 70% | 0.699 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.3 | -38.1 | 177.3 | -84.7 | -171.5 | 173.9 | -175.7 | 0 | 113.3 | A1789 S1796 N1797 | A1789-K1793 PolarHBondContact O-N 3.19Å; K1793-S1796 PolarHBondContact O-OG 3.24Å; K1793-N1797 PolarHBondContact O-N 3.02Å |
| 1794 | N | 36.3 | Very low | 39.9 | Very low | 108.2 Ų | 108.2 | 94.9 Ų | 94.9 | 58% | 0.579 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -71.9 | -37.3 | 177.2 | -74.4 | -1 | 0 | 0 | 0 | 111.6 | S1790 N1792 S1796 N1797 E1798 | S1790-N1794 PolarHBondContact O-N 3.32Å; N1792-N1794 VanDerWaalsContact C-N 3.35Å; N1792-N1794 PolarHBondContact O-N 3.31Å; N1794-S1796 PolarHBondContact O-N 2.89Å; N1794-N1797 PolarHBondContact O-N 3.16Å; N1794-E1798 PolarHBondContact O-N 3.18Å; N1794-E1798 VanDerWaalsContact O-N 3.17Å |
| 1795 | K | 34.7 | Very low | 42.7 | Very low | 129.2 Ų | 129.2 | 87.6 Ų | 87.6 | 56% | 0.562 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.3 | -35.8 | 176.7 | -89.2 | -179.3 | 174.8 | 177 | 0 | 113.8 | N1791 N1792 N1797 E1798 T1799 | N1791-K1795 WeakPolarHBondContact O-CG 3.48Å; N1791-K1795 PolarHBondContact O-N 3.15Å; N1792-K1795 PolarHBondContact O-N 3.16Å; K1795-N1797 VanDerWaalsContact C-N 3.34Å; K1795-E1798 PolarHBondContact O-N 3.14Å; K1795-T1799 PolarHBondContact O-N 3.08Å; K1795-T1799 VanDerWaalsContact O-N 3.14Å; K1795-T1799 PolarHBondContact O-OG1 3.06Å; K1795-T1799 VanDerWaalsContact O-OG1 3.09Å |
| 1796 | S | 39.6 | Very low | 45.5 | Very low | 53.2 Ų | 53.2 | 82.5 Ų | 82.5 | 37% | 0.372 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.1 | -36.7 | 177.3 | 57.6 | 0 | 0 | 0 | 0 | 112.3 | N1792 K1793 N1794 T1799 V1800 | N1792-S1796 PolarHBondContact O-N 3.11Å; N1792-S1796 VanDerWaalsContact O-N 3.09Å; N1792-S1796 PolarHBondContact O-OG 3.22Å; K1793-S1796 PolarHBondContact O-OG 3.24Å; N1794-S1796 PolarHBondContact O-N 2.89Å; S1796-T1799 WeakPolarHBondContact CA-OG1 3.28Å; S1796-T1799 PolarHBondContact O-N 3.25Å; S1796-T1799 PolarHBondContact O-OG1 3.24Å; S1796-T1799 VanDerWaalsContact O-OG1 3.12Å; S1796-V1800 VanDerWaalsContact O-CG2 3.29Å; S1796-V1800 WeakPolarHBondContact O-CG2 3.27Å; S1796-V1800 PolarHBondContact O-N 2.97Å; S1796-V1800 VanDerWaalsContact O-N 3.15Å |
| 1797 | N | 41.5 | Very low | 48.5 | Very low | 103.4 Ų | 103.4 | 74 Ų | 74 | 55% | 0.553 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -67.9 | -43.5 | 175.9 | -81.6 | 6.7 | 0 | 0 | 0 | 111.6 | K1793 N1794 K1795 T1799 V1800 E1801 | K1793-N1797 PolarHBondContact O-N 3.02Å; N1794-N1797 PolarHBondContact O-N 3.16Å; K1795-N1797 VanDerWaalsContact C-N 3.34Å; N1797-T1799 VanDerWaalsContact C-N 3.33Å; N1797-T1799 PolarHBondContact O-N 3.24Å; N1797-V1800 PolarHBondContact O-N 3.26Å; N1797-E1801 WeakPolarHBondContact O-CB 3.3Å; N1797-E1801 WeakPolarHBondContact O-CG 3.35Å; N1797-E1801 PolarHBondContact O-N 3.36Å |
| 1798 | E | 42.7 | Very low | 51.6 | Low | 118.6 Ų | 118.6 | 68.9 Ų | 68.9 | 55% | 0.554 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -58.8 | -41.6 | 176.6 | -93.7 | -180 | 172.2 | 0 | 0 | 111.9 | N1794 K1795 V1800 E1801 N1802 | N1794-E1798 PolarHBondContact O-N 3.18Å; N1794-E1798 VanDerWaalsContact O-N 3.17Å; K1795-E1798 PolarHBondContact O-N 3.14Å; E1798-V1800 PolarHBondContact O-N 3.09Å; E1798-E1801 PolarHBondContact O-N 3.33Å; E1798-N1802 WeakPolarHBondContact O-CB 3.42Å; E1798-N1802 PolarHBondContact O-N 3.17Å; E1798-N1802 PolarHBondContact O-ND2 3.26Å; E1798-N1802 PolarHBondContact O-OD1 2.95Å; E1798-N1802 VanDerWaalsContact O-OD1 3.11Å |
| 1799 | T | 43.7 | Very low | 54.8 | Low | 24.6 Ų | 24.6 | 64.4 Ų | 64.4 | 15% | 0.151 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72.4 | -35.2 | -179.7 | 46.2 | 0 | 0 | 0 | 0 | 113.9 | Y1765 K1795 S1796 N1797 E1801 N1802 A1803 | Y1765-T1799 HydrophobicContact CD2-CG2 4.24Å; K1795-T1799 PolarHBondContact O-N 3.08Å; K1795-T1799 VanDerWaalsContact O-N 3.14Å; K1795-T1799 PolarHBondContact O-OG1 3.06Å; K1795-T1799 VanDerWaalsContact O-OG1 3.09Å; S1796-T1799 WeakPolarHBondContact CA-OG1 3.28Å; S1796-T1799 PolarHBondContact O-N 3.25Å; S1796-T1799 PolarHBondContact O-OG1 3.24Å; S1796-T1799 VanDerWaalsContact O-OG1 3.12Å; N1797-T1799 VanDerWaalsContact C-N 3.33Å; N1797-T1799 PolarHBondContact O-N 3.24Å; T1799-E1801 VanDerWaalsContact C-N 3.35Å; T1799-N1802 WeakPolarHBondContact O-CB 3.42Å; T1799-N1802 PolarHBondContact O-N 3.21Å; T1799-A1803 PolarHBondContact O-N 3.16Å; T1799-A1803 VanDerWaalsContact O-N 3.11Å |
| 1800 | V | 49.9 | Very low | 57.9 | Low | 67 Ų | 67 | 61 Ų | 61 | 41% | 0.406 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.1 | -45.3 | 172.6 | 173.5 | 0 | 0 | 0 | 0 | 109.9 | T1769 S1796 N1797 E1798 N1802 A1803 V1804 | T1769-V1800 HydrophobicContact CG2-CG2 4.28Å; S1796-V1800 VanDerWaalsContact O-CG2 3.29Å; S1796-V1800 WeakPolarHBondContact O-CG2 3.27Å; S1796-V1800 PolarHBondContact O-N 2.97Å; S1796-V1800 VanDerWaalsContact O-N 3.15Å; N1797-V1800 PolarHBondContact O-N 3.26Å; E1798-V1800 PolarHBondContact O-N 3.09Å; V1800-N1802 VanDerWaalsContact C-N 3.33Å; V1800-N1802 PolarHBondContact O-N 3.08Å; V1800-A1803 PolarHBondContact O-N 3.12Å; V1800-V1804 VanDerWaalsContact O-CG2 3.25Å; V1800-V1804 WeakPolarHBondContact O-CG2 3.43Å; V1800-V1804 PolarHBondContact O-N 3.32Å |
| 1801 | E | 52.3 | Low | 61 | Low | 100.5 Ų | 100.5 | 57.8 Ų | 57.8 | 47% | 0.47 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 173.9 | -72.9 | 177.9 | -177.7 | 0 | 0 | 112.2 | N1797 E1798 T1799 A1803 V1804 | N1797-E1801 WeakPolarHBondContact O-CB 3.3Å; N1797-E1801 WeakPolarHBondContact O-CG 3.35Å; N1797-E1801 PolarHBondContact O-N 3.36Å; E1798-E1801 PolarHBondContact O-N 3.33Å; T1799-E1801 VanDerWaalsContact C-N 3.35Å; E1801-A1803 VanDerWaalsContact C-N 3.34Å; E1801-A1803 PolarHBondContact O-N 3.07Å; E1801-V1804 PolarHBondContact O-N 3.28Å |
| 1802 | N | 50.5 | Low | 64.2 | Low | 21 Ų | 21 | 52.2 Ų | 52.2 | 11% | 0.112 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.5 | -46.7 | 177.8 | -67.5 | -17.4 | 0 | 0 | 0 | 111.6 | R1717 L1762 E1798 T1799 V1800 V1804 L1805 | R1717-N1802 WeakPolarHBondContact CD-OD1 3.45Å; R1717-N1802 PolarHBondContact NH1-OD1 3.03Å; L1762-N1802 VanDerWaalsContact CD1-C 3.46Å; L1762-N1802 HydrophobicContact CD1-CB 3.41Å; L1762-N1802 VanDerWaalsContact CD1-CB 3.49Å; E1798-N1802 WeakPolarHBondContact O-CB 3.42Å; E1798-N1802 PolarHBondContact O-N 3.17Å; E1798-N1802 PolarHBondContact O-ND2 3.26Å; E1798-N1802 PolarHBondContact O-OD1 2.95Å; E1798-N1802 VanDerWaalsContact O-OD1 3.11Å; T1799-N1802 WeakPolarHBondContact O-CB 3.42Å; T1799-N1802 PolarHBondContact O-N 3.21Å; V1800-N1802 VanDerWaalsContact C-N 3.33Å; V1800-N1802 PolarHBondContact O-N 3.08Å; N1802-V1804 VanDerWaalsContact C-N 3.3Å; N1802-V1804 PolarHBondContact O-N 3.26Å; N1802-L1805 WeakPolarHBondContact O-CB 3.21Å; N1802-L1805 PolarHBondContact O-N 3.09Å |
| 1803 | A | 59.1 | Low | 67.2 | Low | 2.5 Ų | 2.5 | 46.7 Ų | 46.7 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.4 | -25.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1762 T1799 V1800 E1801 L1805 I1857 | L1762-A1803 VanDerWaalsContact CD1-CA 3.49Å; L1762-A1803 HydrophobicContact CD1-CB 4.06Å; L1762-A1803 VanDerWaalsContact CD1-N 3.34Å; L1762-A1803 HydrophobicContact CG-CB 4.34Å; T1799-A1803 PolarHBondContact O-N 3.16Å; T1799-A1803 VanDerWaalsContact O-N 3.11Å; V1800-A1803 PolarHBondContact O-N 3.12Å; E1801-A1803 VanDerWaalsContact C-N 3.34Å; E1801-A1803 PolarHBondContact O-N 3.07Å; A1803-L1805 VanDerWaalsContact C-N 3.31Å; A1803-L1805 PolarHBondContact O-N 3.06Å; A1803-I1857 HydrophobicContact CB-CB 4.37Å; A1803-I1857 HydrophobicContact CB-CD1 3.39Å; A1803-I1857 VanDerWaalsContact CB-CD1 3.43Å; A1803-I1857 HydrophobicContact CB-CG1 3.86Å; A1803-I1857 HydrophobicContact CB-CG2 4.09Å; A1803-I1857 WeakPolarHBondContact O-CG2 3.39Å |
| 1804 | V | 81 | Confident | 70.1 | Confident | 45 Ų | 45 | 40.8 Ų | 40.8 | 27% | 0.273 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -73 | -24.6 | 178.5 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | Q1721 V1800 E1801 N1802 V1807 A1808 | Q1721-V1804 HydrophobicContact CG-CG1 4.36Å; V1800-V1804 VanDerWaalsContact O-CG2 3.25Å; V1800-V1804 WeakPolarHBondContact O-CG2 3.43Å; V1800-V1804 PolarHBondContact O-N 3.32Å; E1801-V1804 PolarHBondContact O-N 3.28Å; N1802-V1804 VanDerWaalsContact C-N 3.3Å; N1802-V1804 PolarHBondContact O-N 3.26Å; V1804-V1807 PolarHBondContact O-N 3.23Å; V1804-A1808 PolarHBondContact O-N 3.21Å; V1804-A1808 VanDerWaalsContact O-N 3.12Å |
| 1805 | L | 88.7 | Confident | 72.9 | Confident | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.6 | -41.2 | 177.8 | -178.9 | 58.1 | 0 | 0 | 0 | 112.3 | I1720 Q1721 L1724 T1752 E1756 N1802 A1803 V1807 A1808 A1809 | I1720-L1805 HydrophobicContact CB-CD1 4.28Å; I1720-L1805 HydrophobicContact CG2-CD1 3.77Å; I1720-L1805 HydrophobicContact CG2-CD2 4.44Å; Q1721-L1805 HydrophobicContact CB-CD1 3.98Å; L1724-L1805 HydrophobicContact CD1-CD1 3.64Å; T1752-L1805 HydrophobicContact CG2-CD1 4.33Å; T1752-L1805 HydrophobicContact CG2-CD2 4.11Å; T1752-L1805 HydrophobicContact CG2-CG 4.18Å; E1756-L1805 HydrophobicContact CG-CB 4.43Å; E1756-L1805 HydrophobicContact CG-CD2 4.05Å; E1756-L1805 HydrophobicContact CG-CG 4.19Å; E1756-L1805 WeakPolarHBondContact OE1-CD2 3.22Å; N1802-L1805 WeakPolarHBondContact O-CB 3.21Å; N1802-L1805 PolarHBondContact O-N 3.09Å; A1803-L1805 VanDerWaalsContact C-N 3.31Å; A1803-L1805 PolarHBondContact O-N 3.06Å; L1805-V1807 VanDerWaalsContact C-N 3.33Å; L1805-V1807 PolarHBondContact O-N 3.23Å; L1805-A1808 PolarHBondContact O-N 3.14Å; L1805-A1809 WeakPolarHBondContact O-CB 3.43Å; L1805-A1809 PolarHBondContact O-N 3.27Å |
| 1806 | L | 90.6 | Very high | 75.7 | Confident | 0.25 Ų | 0.25 | 29.8 Ų | 29.8 | 0% | 0.001 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.8 | -37.8 | 177.2 | -176.9 | 61.4 | 0 | 0 | 0 | 112 | I1753 E1756 I1757 L1762 F1763 A1809 T1810 V1861 | I1753-L1806 HydrophobicContact CG1-CD1 4.48Å; I1753-L1806 HydrophobicContact CG2-CD1 4.01Å; E1756-L1806 HydrophobicContact CB-CB 4.36Å; E1756-L1806 HydrophobicContact CB-CD1 4.41Å; E1756-L1806 HydrophobicContact CG-CB 4.16Å; I1757-L1806 HydrophobicContact CG1-CD1 4.44Å; L1762-L1806 HydrophobicContact CD2-CD2 4.18Å; F1763-L1806 HydrophobicContact CE1-CD2 4.29Å; F1763-L1806 HydrophobicContact CZ-CD2 4.2Å; L1806-A1809 PolarHBondContact O-N 3.24Å; L1806-T1810 HydrophobicContact CD1-CG2 4.25Å; L1806-T1810 WeakPolarHBondContact O-CB 3.38Å; L1806-T1810 WeakPolarHBondContact O-CG2 3.44Å; L1806-T1810 PolarHBondContact O-N 3.3Å; L1806-T1810 PolarHBondContact O-OG1 3.42Å; L1806-V1861 HydrophobicContact CB-CG2 4.45Å; L1806-V1861 HydrophobicContact CD2-CG1 4.36Å; L1806-V1861 HydrophobicContact CD2-CG2 4.11Å; L1806-V1861 HydrophobicContact CG-CG1 4.42Å; L1806-V1861 HydrophobicContact CG-CG2 3.87Å |
| 1807 | V | 92.7 | Very high | 78.2 | Confident | 13 Ų | 13 | 27.5 Ų | 27.5 | 8% | 0.079 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.3 | -51.4 | 172.6 | 177.9 | 0 | 0 | 0 | 0 | 110.2 | V1804 L1805 A1809 T1810 E1811 I1857 E1860 V1861 | V1804-V1807 PolarHBondContact O-N 3.23Å; L1805-V1807 VanDerWaalsContact C-N 3.33Å; L1805-V1807 PolarHBondContact O-N 3.23Å; V1807-A1809 VanDerWaalsContact C-N 3.31Å; V1807-A1809 PolarHBondContact O-N 3.27Å; V1807-T1810 PolarHBondContact O-N 3.17Å; V1807-T1810 PolarHBondContact O-OG1 3.31Å; V1807-T1810 VanDerWaalsContact O-OG1 3.08Å; V1807-E1811 WeakPolarHBondContact O-CB 3.43Å; V1807-E1811 PolarHBondContact O-N 3.3Å; V1807-I1857 HydrophobicContact CG2-CB 4.18Å; V1807-I1857 HydrophobicContact CG2-CG1 4.14Å; V1807-I1857 HydrophobicContact CG2-CG2 3.75Å; V1807-E1860 HydrophobicContact CG1-CB 4.12Å; V1807-E1860 WeakPolarHBondContact CG1-OE2 3.41Å; V1807-E1860 HydrophobicContact CG2-CB 4.39Å; V1807-V1861 HydrophobicContact CG2-CG2 4Å |
| 1808 | A | 93 | Very high | 80.5 | Confident | 3.5 Ų | 3.5 | 24.7 Ų | 24.7 | 3% | 0.029 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.9 | -38 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1721 L1724 R1725 V1804 L1805 L1812 | Q1721-A1808 HydrophobicContact CG-CB 4.26Å; L1724-A1808 HydrophobicContact CB-CB 4.08Å; L1724-A1808 HydrophobicContact CD1-CB 4.46Å; R1725-A1808 HydrophobicContact CG-CB 3.87Å; V1804-A1808 PolarHBondContact O-N 3.21Å; V1804-A1808 VanDerWaalsContact O-N 3.12Å; L1805-A1808 PolarHBondContact O-N 3.14Å; A1808-L1812 WeakPolarHBondContact O-CB 3.34Å; A1808-L1812 PolarHBondContact O-N 3.16Å |
| 1809 | A | 95.4 | Very high | 82.7 | Confident | 0.25 Ų | 0.25 | 19.3 Ų | 19.3 | 0% | 0.002 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.9 | -43.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1724 L1749 I1753 L1805 L1806 V1807 L1812 T1813 | L1724-A1809 HydrophobicContact CD1-CB 3.85Å; L1749-A1809 HydrophobicContact CD1-CB 3.83Å; I1753-A1809 HydrophobicContact CD1-CB 4.22Å; I1753-A1809 HydrophobicContact CG1-CB 3.63Å; L1805-A1809 WeakPolarHBondContact O-CB 3.43Å; L1805-A1809 PolarHBondContact O-N 3.27Å; L1806-A1809 PolarHBondContact O-N 3.24Å; V1807-A1809 VanDerWaalsContact C-N 3.31Å; V1807-A1809 PolarHBondContact O-N 3.27Å; A1809-L1812 PolarHBondContact O-N 3.22Å; A1809-T1813 PolarHBondContact O-N 3.23Å; A1809-T1813 PolarHBondContact O-OG1 3.26Å |
| 1810 | T | 95.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -71.5 | -36.6 | 178.7 | 52.5 | 0 | 0 | 0 | 0 | 112 | I1753 L1806 V1807 T1813 Y1814 L1836 V1861 H1864 I1865 | I1753-T1810 HydrophobicContact CD1-CG2 4.5Å; L1806-T1810 HydrophobicContact CD1-CG2 4.25Å; L1806-T1810 WeakPolarHBondContact O-CB 3.38Å; L1806-T1810 WeakPolarHBondContact O-CG2 3.44Å; L1806-T1810 PolarHBondContact O-N 3.3Å; L1806-T1810 PolarHBondContact O-OG1 3.42Å; V1807-T1810 PolarHBondContact O-N 3.17Å; V1807-T1810 PolarHBondContact O-OG1 3.31Å; V1807-T1810 VanDerWaalsContact O-OG1 3.08Å; T1810-T1813 WeakPolarHBondContact O-CB 3.42Å; T1810-T1813 PolarHBondContact O-N 3.11Å; T1810-Y1814 PolarHBondContact O-N 3.37Å; T1810-L1836 HydrophobicContact CG2-CD2 4.41Å; T1810-V1861 HydrophobicContact CG2-CG1 4.07Å; T1810-H1864 PolarHBondContact OG1-ND1 3.25Å; T1810-I1865 HydrophobicContact CG2-CD1 4.48Å; T1810-I1865 HydrophobicContact CG2-CG1 4.22Å |
| 1811 | E | 95.7 | Very high | 86 | Confident | 25.75 Ų | 25.75 | 18.6 Ų | 18.6 | 12% | 0.12 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.2 | -49.1 | 170.8 | -174.4 | -171.2 | -156.8 | 0 | 0 | 111.3 | R1725 S1728 V1807 T1813 Y1814 E1815 H1864 | R1725-E1811 WeakPolarHBondContact CD-OE2 3.26Å; R1725-E1811 IonicContact CZ-OE1 3.29Å; R1725-E1811 IonicContact CZ-OE2 3.36Å; R1725-E1811 VanDerWaalsContact CZ-OE2 3.24Å; R1725-E1811 IonicContact NE-OE2 3.35Å; R1725-E1811 IonicContact NH1-OE1 3.8Å; R1725-E1811 PolarHBondContact NH1-OE1 2.84Å; R1725-E1811 IonicContact NH1-OE2 3.17Å; R1725-E1811 PolarHBondContact NH1-OE2 3.3Å; R1725-E1811 IonicContact NH2-OE1 3.91Å; S1728-E1811 PolarHBondContact OG-OE2 2.88Å; V1807-E1811 WeakPolarHBondContact O-CB 3.43Å; V1807-E1811 PolarHBondContact O-N 3.3Å; E1811-T1813 VanDerWaalsContact C-N 3.26Å; E1811-T1813 PolarHBondContact O-N 2.95Å; E1811-Y1814 WeakPolarHBondContact O-CB 3.21Å; E1811-Y1814 PolarHBondContact O-N 3.03Å; E1811-Y1814 VanDerWaalsContact O-N 3.09Å; E1811-E1815 HydrophobicContact CG-CG 4.38Å; E1811-E1815 WeakPolarHBondContact O-CG 3.33Å; E1811-E1815 PolarHBondContact O-N 2.98Å; E1811-H1864 PolarHBondContact N-ND1 3.21Å |
| 1812 | L | 97.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.7 | -36.7 | 177.9 | 179.9 | 57.9 | 0 | 0 | 0 | 111.8 | L1724 Q1727 S1728 Y1731 Y1743 L1749 A1808 A1809 Y1814 E1815 T1816 | L1724-L1812 HydrophobicContact CB-CD2 4.29Å; L1724-L1812 HydrophobicContact CD2-CD2 3.55Å; L1724-L1812 VanDerWaalsContact CD2-CD2 3.47Å; Q1727-L1812 HydrophobicContact CB-CD1 3.53Å; Q1727-L1812 HydrophobicContact CB-CD2 3.89Å; Q1727-L1812 HydrophobicContact CB-CG 4.38Å; S1728-L1812 WeakPolarHBondContact OG-CA 3.38Å; S1728-L1812 WeakPolarHBondContact OG-CB 3.34Å; S1728-L1812 PolarHBondContact OG-N 3.04Å; Y1731-L1812 HydrophobicContact CD2-CD1 4.24Å; Y1743-L1812 VanDerWaalsContact OH-CD2 3.23Å; Y1743-L1812 WeakPolarHBondContact OH-CD2 3.33Å; L1749-L1812 HydrophobicContact CD1-CD2 4.25Å; L1749-L1812 HydrophobicContact CD2-CD2 4.42Å; L1749-L1812 HydrophobicContact CD2-CG 4.29Å; A1808-L1812 WeakPolarHBondContact O-CB 3.34Å; A1808-L1812 PolarHBondContact O-N 3.16Å; A1809-L1812 PolarHBondContact O-N 3.22Å; L1812-Y1814 VanDerWaalsContact C-N 3.32Å; L1812-Y1814 PolarHBondContact O-N 3.15Å; L1812-E1815 PolarHBondContact O-N 3.2Å; L1812-T1816 HydrophobicContact CD1-CG2 3.87Å; L1812-T1816 HydrophobicContact CG-CG2 4.28Å; L1812-T1816 WeakPolarHBondContact O-CB 3.43Å; L1812-T1816 VanDerWaalsContact O-CG2 3.24Å; L1812-T1816 WeakPolarHBondContact O-CG2 3.38Å; L1812-T1816 PolarHBondContact O-N 3.26Å; L1812-T1816 PolarHBondContact O-OG1 2.95Å |
| 1813 | T | 96.6 | Very high | 89.4 | Confident | 0.5 Ų | 0.5 | 15.7 Ų | 15.7 | 0% | 0.003 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.8 | -44 | 174.9 | -52.2 | 0 | 0 | 0 | 0 | 110.7 | L1749 A1809 T1810 E1811 T1816 V1817 L1827 L1836 V1868 | L1749-T1813 WeakPolarHBondContact CD2-OG1 3.42Å; A1809-T1813 PolarHBondContact O-N 3.23Å; A1809-T1813 PolarHBondContact O-OG1 3.26Å; T1810-T1813 WeakPolarHBondContact O-CB 3.42Å; T1810-T1813 PolarHBondContact O-N 3.11Å; E1811-T1813 VanDerWaalsContact C-N 3.26Å; E1811-T1813 PolarHBondContact O-N 2.95Å; T1813-T1816 PolarHBondContact O-OG1 3.29Å; T1813-V1817 WeakPolarHBondContact O-CB 3.43Å; T1813-V1817 VanDerWaalsContact O-CG2 3.23Å; T1813-V1817 WeakPolarHBondContact O-CG2 3.42Å; T1813-V1817 PolarHBondContact O-N 3.21Å; T1813-V1817 VanDerWaalsContact O-N 3.15Å; T1813-L1827 HydrophobicContact CG2-CD1 3.96Å; T1813-L1827 HydrophobicContact CG2-CD2 3.81Å; T1813-L1836 HydrophobicContact CG2-CD1 4.08Å; T1813-L1836 HydrophobicContact CG2-CD2 4.4Å; T1813-V1868 HydrophobicContact CG2-CG1 4.18Å; T1813-V1868 HydrophobicContact CG2-CG2 3.87Å |
| 1814 | Y | 94.9 | Very high | 90.8 | Very high | 37 Ų | 37 | 15.7 Ų | 15.7 | 15% | 0.145 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.9 | -51.9 | 174.2 | 168.8 | -111.6 | 0 | 0 | 0 | 111.9 | T1810 E1811 L1812 T1816 V1817 V1818 S1867 V1868 H2040 | T1810-Y1814 PolarHBondContact O-N 3.37Å; E1811-Y1814 WeakPolarHBondContact O-CB 3.21Å; E1811-Y1814 PolarHBondContact O-N 3.03Å; E1811-Y1814 VanDerWaalsContact O-N 3.09Å; L1812-Y1814 VanDerWaalsContact C-N 3.32Å; L1812-Y1814 PolarHBondContact O-N 3.15Å; Y1814-T1816 VanDerWaalsContact C-N 3.26Å; Y1814-T1816 PolarHBondContact O-N 3.42Å; Y1814-V1817 PolarHBondContact O-N 3.28Å; Y1814-V1818 HydrophobicContact CD2-CB 4.39Å; Y1814-V1818 HydrophobicContact CE1-CG1 4.42Å; Y1814-V1818 HydrophobicContact CE2-CB 3.94Å; Y1814-V1818 HydrophobicContact CE2-CG1 4.36Å; Y1814-V1818 HydrophobicContact CE2-CG2 4.13Å; Y1814-V1818 WeakPolarHBondContact O-CB 3.26Å; Y1814-V1818 WeakPolarHBondContact O-CG1 3.46Å; Y1814-V1818 PolarHBondContact O-N 3.03Å; Y1814-S1867 VanDerWaalsContact CD2-CB 3.4Å; Y1814-S1867 VanDerWaalsContact CE2-CB 3.44Å; Y1814-V1868 VanDerWaalsContact CA-CG2 3.43Å; Y1814-H2040 AromaticContact CE2-NE2 3.88Å; Y1814-H2040 AromaticContact CZ-NE2 3.78Å; Y1814-H2040 PolarHBondContact OH-CD2 3.21Å; Y1814-H2040 PolarHBondContact OH-NE2 2.77Å |
| 1815 | E | 94.2 | Very high | 91 | Very high | 6.75 Ų | 6.75 | 16 Ų | 16 | 3% | 0.032 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.2 | -34.4 | -176 | -70.8 | -65.7 | 177.5 | 0 | 0 | 112.7 | K1732 R1735 E1811 L1812 V1818 T1819 | K1732-E1815 WeakPolarHBondContact CD-OE1 3.45Å; R1735-E1815 IonicContact CZ-OE2 3.28Å; R1735-E1815 IonicContact NE-OE2 3.13Å; R1735-E1815 PolarHBondContact NE-OE2 3.34Å; R1735-E1815 IonicContact NH2-OE1 3.19Å; R1735-E1815 PolarHBondContact NH2-OE1 3.36Å; R1735-E1815 IonicContact NH2-OE2 3.41Å; R1735-E1815 PolarHBondContact NH2-OE2 2.89Å; E1811-E1815 HydrophobicContact CG-CG 4.38Å; E1811-E1815 WeakPolarHBondContact O-CG 3.33Å; E1811-E1815 PolarHBondContact O-N 2.98Å; L1812-E1815 PolarHBondContact O-N 3.2Å; E1815-V1818 WeakPolarHBondContact O-CG1 3.45Å; E1815-T1819 WeakPolarHBondContact O-CB 3.38Å; E1815-T1819 PolarHBondContact O-N 3.06Å; E1815-T1819 PolarHBondContact O-OG1 3.37Å |
| 1816 | T | 94.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -73.1 | -45.3 | 176.1 | 51.9 | 0 | 0 | 0 | 0 | 112.4 | Y1731 Y1743 Y1746 L1812 T1813 Y1814 T1819 S1820 N1823 | Y1731-T1816 HydrophobicContact CD1-CG2 4.29Å; Y1731-T1816 HydrophobicContact CD2-CG2 3.89Å; Y1731-T1816 HydrophobicContact CE1-CG2 4.13Å; Y1731-T1816 HydrophobicContact CE2-CG2 3.71Å; Y1731-T1816 HydrophobicContact CG-CG2 4.19Å; Y1743-T1816 HydrophobicContact CD1-CG2 3.73Å; Y1743-T1816 HydrophobicContact CD2-CG2 3.96Å; Y1743-T1816 HydrophobicContact CE1-CG2 4.01Å; Y1743-T1816 HydrophobicContact CE2-CG2 4.22Å; Y1743-T1816 HydrophobicContact CG-CG2 3.68Å; Y1746-T1816 VanDerWaalsContact OH-CB 3.29Å; Y1746-T1816 WeakPolarHBondContact OH-CB 3.33Å; Y1746-T1816 PolarHBondContact OH-OG1 3.21Å; L1812-T1816 HydrophobicContact CD1-CG2 3.87Å; L1812-T1816 HydrophobicContact CG-CG2 4.28Å; L1812-T1816 WeakPolarHBondContact O-CB 3.43Å; L1812-T1816 VanDerWaalsContact O-CG2 3.24Å; L1812-T1816 WeakPolarHBondContact O-CG2 3.38Å; L1812-T1816 PolarHBondContact O-N 3.26Å; L1812-T1816 PolarHBondContact O-OG1 2.95Å; T1813-T1816 PolarHBondContact O-OG1 3.29Å; Y1814-T1816 VanDerWaalsContact C-N 3.26Å; Y1814-T1816 PolarHBondContact O-N 3.42Å; T1816-T1819 PolarHBondContact O-N 3.3Å; T1816-S1820 PolarHBondContact O-N 3.13Å; T1816-N1823 VanDerWaalsContact O-CB 3.26Å; T1816-N1823 WeakPolarHBondContact O-CB 3.43Å; T1816-N1823 PolarHBondContact O-ND2 3.26Å |
| 1817 | V | 92 | Very high | 91.2 | Very high | 4.75 Ų | 4.75 | 17.4 Ų | 17.4 | 3% | 0.029 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -68.8 | -42 | -178.5 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | T1813 Y1814 T1819 S1820 A1824 L1827 V1868 A1871 A1872 | T1813-V1817 WeakPolarHBondContact O-CB 3.43Å; T1813-V1817 VanDerWaalsContact O-CG2 3.23Å; T1813-V1817 WeakPolarHBondContact O-CG2 3.42Å; T1813-V1817 PolarHBondContact O-N 3.21Å; T1813-V1817 VanDerWaalsContact O-N 3.15Å; Y1814-V1817 PolarHBondContact O-N 3.28Å; V1817-T1819 VanDerWaalsContact C-N 3.25Å; V1817-T1819 PolarHBondContact O-N 3.06Å; V1817-S1820 PolarHBondContact O-N 3.46Å; V1817-A1824 HydrophobicContact CG1-CB 3.98Å; V1817-L1827 HydrophobicContact CG2-CB 4.46Å; V1817-L1827 HydrophobicContact CG2-CD2 3.7Å; V1817-V1868 HydrophobicContact CG2-CG1 4.31Å; V1817-A1871 HydrophobicContact CG1-CB 3.79Å; V1817-A1872 HydrophobicContact CG1-CB 4.39Å |
| 1818 | V | 88.9 | Confident | 91.1 | Very high | 42.75 Ų | 42.75 | 19 Ų | 19 | 26% | 0.259 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -67.1 | -25.7 | 178.8 | 77 | 0 | 0 | 0 | 0 | 112.2 | Y1814 E1815 | Y1814-V1818 HydrophobicContact CD2-CB 4.39Å; Y1814-V1818 HydrophobicContact CE1-CG1 4.42Å; Y1814-V1818 HydrophobicContact CE2-CB 3.94Å; Y1814-V1818 HydrophobicContact CE2-CG1 4.36Å; Y1814-V1818 HydrophobicContact CE2-CG2 4.13Å; Y1814-V1818 WeakPolarHBondContact O-CB 3.26Å; Y1814-V1818 WeakPolarHBondContact O-CG1 3.46Å; Y1814-V1818 PolarHBondContact O-N 3.03Å; E1815-V1818 WeakPolarHBondContact O-CG1 3.45Å |
| 1819 | T | 89.2 | Confident | 91 | Very high | 6 Ų | 6 | 25.4 Ų | 25.4 | 4% | 0.037 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -76.4 | -38 | -178.1 | -63.5 | 0 | 0 | 0 | 0 | 112.9 | Y1731 R1735 L1738 I1739 E1815 T1816 V1817 | Y1731-T1819 HydrophobicContact CD1-CG2 3.97Å; Y1731-T1819 HydrophobicContact CE1-CG2 4.26Å; R1735-T1819 HydrophobicContact CB-CG2 3.99Å; R1735-T1819 WeakPolarHBondContact CD-OG1 3.34Å; R1735-T1819 HydrophobicContact CG-CG2 4.21Å; R1735-T1819 WeakPolarHBondContact CG-OG1 3.38Å; L1738-T1819 HydrophobicContact CB-CG2 4.17Å; I1739-T1819 VanDerWaalsContact CG1-O 3.3Å; I1739-T1819 WeakPolarHBondContact CG1-O 3.45Å; E1815-T1819 WeakPolarHBondContact O-CB 3.38Å; E1815-T1819 PolarHBondContact O-N 3.06Å; E1815-T1819 PolarHBondContact O-OG1 3.37Å; T1816-T1819 PolarHBondContact O-N 3.3Å; V1817-T1819 VanDerWaalsContact C-N 3.25Å; V1817-T1819 PolarHBondContact O-N 3.06Å |
| 1820 | S | 85.2 | Confident | 90.8 | Very high | 7.5 Ų | 7.5 | 29.1 Ų | 29.1 | 5% | 0.052 | 14% | 0.138 | C | C | . | . | trans | -146.9 | 138.6 | -174.6 | -174.7 | 0 | 0 | 0 | 0 | 113.1 | I1739 T1816 V1817 L1822 N1823 A1824 | I1739-S1820 VanDerWaalsContact O-CB 3.26Å; I1739-S1820 WeakPolarHBondContact O-CB 3.36Å; I1739-S1820 PolarHBondContact O-OG 3.19Å; T1816-S1820 PolarHBondContact O-N 3.13Å; V1817-S1820 PolarHBondContact O-N 3.46Å; S1820-L1822 VanDerWaalsContact C-N 3.26Å; S1820-L1822 PolarHBondContact O-N 3.01Å; S1820-L1822 PolarHBondContact OG-N 3.06Å; S1820-N1823 WeakPolarHBondContact O-CB 3.42Å; S1820-N1823 PolarHBondContact O-N 3.07Å; S1820-N1823 VanDerWaalsContact O-N 3.1Å; S1820-A1824 PolarHBondContact O-N 3.27Å | ||
| 1821 | V | 79.1 | Confident | 90.5 | Very high | 69.5 Ų | 69.5 | 34.3 Ų | 34.3 | 42% | 0.421 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -55.2 | -40.7 | 171.2 | 176.4 | 0 | 0 | 0 | 0 | 111.9 | N1823 A1824 E1825 F1875 L2029 | V1821-N1823 VanDerWaalsContact C-N 3.25Å; V1821-N1823 PolarHBondContact O-N 3.07Å; V1821-A1824 WeakPolarHBondContact O-CB 3.28Å; V1821-A1824 PolarHBondContact O-N 3.29Å; V1821-A1824 VanDerWaalsContact O-N 3.15Å; V1821-E1825 PolarHBondContact O-N 3.18Å; V1821-F1875 HydrophobicContact CB-CD1 4.41Å; V1821-F1875 HydrophobicContact CB-CE1 3.61Å; V1821-F1875 HydrophobicContact CB-CZ 3.73Å; V1821-F1875 HydrophobicContact CG1-CD1 3.59Å; V1821-F1875 VanDerWaalsContact CG1-CD1 3.49Å; V1821-F1875 HydrophobicContact CG1-CD2 3.33Å; V1821-F1875 HydrophobicContact CG1-CE1 3.17Å; V1821-F1875 HydrophobicContact CG1-CE2 3.96Å; V1821-F1875 HydrophobicContact CG1-CG 4.35Å; V1821-F1875 HydrophobicContact CG1-CZ 3.74Å; V1821-F1875 HydrophobicContact CG2-CD1 4.44Å; V1821-F1875 HydrophobicContact CG2-CE1 3.44Å; V1821-F1875 HydrophobicContact CG2-CZ 3.55Å; V1821-L2029 HydrophobicContact CG2-CD1 4.2Å |
| 1822 | L | 83.4 | Confident | 90.4 | Very high | 61 Ų | 61 | 33.1 Ų | 33.1 | 32% | 0.319 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.3 | -32.8 | -178.6 | -62.4 | 174.3 | 0 | 0 | 0 | 111.1 | K1742 S1820 E1825 E1826 | K1742-L1822 HydrophobicContact CG-CB 4.11Å; K1742-L1822 HydrophobicContact CG-CD1 4.27Å; S1820-L1822 VanDerWaalsContact C-N 3.26Å; S1820-L1822 PolarHBondContact O-N 3.01Å; S1820-L1822 PolarHBondContact OG-N 3.06Å; L1822-E1825 WeakPolarHBondContact O-CB 3.32Å; L1822-E1825 PolarHBondContact O-N 3.19Å; L1822-E1825 VanDerWaalsContact O-N 3.16Å; L1822-E1826 WeakPolarHBondContact O-CG 3.27Å; L1822-E1826 PolarHBondContact O-N 3.09Å |
| 1823 | N | 90.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.1 | -37.1 | -180 | -71.6 | -18.6 | 0 | 0 | 0 | 112.3 | E1741 Y1743 Y1746 T1816 S1820 V1821 E1825 E1826 L1827 | E1741-N1823 PolarHBondContact O-OD1 3.21Å; Y1743-N1823 WeakPolarHBondContact CB-OD1 3.33Å; Y1743-N1823 PolarHBondContact N-OD1 3.17Å; Y1746-N1823 HydrophobicContact CE2-CB 4.13Å; Y1746-N1823 VanDerWaalsContact CE2-O 3.3Å; Y1746-N1823 WeakPolarHBondContact CE2-O 3.43Å; Y1746-N1823 WeakPolarHBondContact OH-CB 3.43Å; Y1746-N1823 PolarHBondContact OH-O 3.31Å; T1816-N1823 VanDerWaalsContact O-CB 3.26Å; T1816-N1823 WeakPolarHBondContact O-CB 3.43Å; T1816-N1823 PolarHBondContact O-ND2 3.26Å; S1820-N1823 WeakPolarHBondContact O-CB 3.42Å; S1820-N1823 PolarHBondContact O-N 3.07Å; S1820-N1823 VanDerWaalsContact O-N 3.1Å; V1821-N1823 VanDerWaalsContact C-N 3.25Å; V1821-N1823 PolarHBondContact O-N 3.07Å; N1823-E1825 VanDerWaalsContact C-N 3.27Å; N1823-E1825 PolarHBondContact O-N 3.16Å; N1823-E1826 PolarHBondContact O-N 3.14Å; N1823-L1827 WeakPolarHBondContact O-CB 3.39Å; N1823-L1827 PolarHBondContact O-N 3.29Å |
| 1824 | A | 87.1 | Confident | 89.8 | Confident | 2.25 Ų | 2.25 | 35.5 Ų | 35.5 | 2% | 0.019 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61 | -38.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1817 S1820 V1821 R1828 F1875 | V1817-A1824 HydrophobicContact CG1-CB 3.98Å; S1820-A1824 PolarHBondContact O-N 3.27Å; V1821-A1824 WeakPolarHBondContact O-CB 3.28Å; V1821-A1824 PolarHBondContact O-N 3.29Å; V1821-A1824 VanDerWaalsContact O-N 3.15Å; A1824-R1828 PolarHBondContact O-N 3Å; A1824-F1875 HydrophobicContact CB-CD2 3.38Å; A1824-F1875 VanDerWaalsContact CB-CD2 3.44Å; A1824-F1875 HydrophobicContact CB-CE2 3.44Å; A1824-F1875 VanDerWaalsContact CB-CE2 3.47Å; A1824-F1875 HydrophobicContact CB-CG 4.34Å; A1824-F1875 HydrophobicContact CB-CZ 4.43Å |
| 1825 | E | 86.4 | Confident | 89.8 | Confident | 51.5 Ų | 51.5 | 34.2 Ų | 34.2 | 24% | 0.241 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.6 | -43.8 | 176.6 | -141.4 | -161.8 | 148.8 | 0 | 0 | 112.3 | V1821 L1822 N1823 R1828 R1829 F1875 | V1821-E1825 PolarHBondContact O-N 3.18Å; L1822-E1825 WeakPolarHBondContact O-CB 3.32Å; L1822-E1825 PolarHBondContact O-N 3.19Å; L1822-E1825 VanDerWaalsContact O-N 3.16Å; N1823-E1825 VanDerWaalsContact C-N 3.27Å; N1823-E1825 PolarHBondContact O-N 3.16Å; E1825-R1828 WeakPolarHBondContact O-CB 3.44Å; E1825-R1828 PolarHBondContact O-N 3.24Å; E1825-R1828 IonicContact OE1-CZ 3.62Å; E1825-R1828 IonicContact OE1-NH1 2.69Å; E1825-R1828 IonicContact OE1-NH2 3.26Å; E1825-R1828 PolarHBondContact OE1-NH2 3.12Å; E1825-R1829 WeakPolarHBondContact O-CG 3.33Å; E1825-R1829 PolarHBondContact O-N 3.26Å; E1825-R1829 IonicContact OE1-CZ 3.08Å; E1825-R1829 VanDerWaalsContact OE1-CZ 3.28Å; E1825-R1829 IonicContact OE1-NE 2.97Å; E1825-R1829 PolarHBondContact OE1-NE 3.26Å; E1825-R1829 VanDerWaalsContact OE1-NE 3.12Å; E1825-R1829 IonicContact OE1-NH2 3.51Å; E1825-R1829 PolarHBondContact OE1-NH2 3.32Å; E1825-F1875 HydrophobicContact CG-CE1 4.44Å |
| 1826 | E | 90.1 | Very high | 89.7 | Confident | 29.75 Ų | 29.75 | 34 Ų | 34 | 14% | 0.139 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.5 | -39.2 | 178.1 | -64.4 | -54.4 | 152.6 | 0 | 0 | 111.9 | K1742 Y1746 L1822 N1823 R1828 R1829 E1830 | K1742-E1826 HydrophobicContact CB-CG 4.43Å; K1742-E1826 HydrophobicContact CD-CG 4.1Å; K1742-E1826 WeakPolarHBondContact CD-OE1 3.39Å; K1742-E1826 WeakPolarHBondContact CE-OE1 3.43Å; K1742-E1826 HydrophobicContact CG-CG 4.37Å; K1742-E1826 IonicContact NZ-OE1 3.71Å; K1742-E1826 PolarHBondContact NZ-OE1 2.98Å; Y1746-E1826 HydrophobicContact CD2-CB 3.76Å; Y1746-E1826 HydrophobicContact CE2-CB 3.95Å; L1822-E1826 WeakPolarHBondContact O-CG 3.27Å; L1822-E1826 PolarHBondContact O-N 3.09Å; N1823-E1826 PolarHBondContact O-N 3.14Å; E1826-R1828 VanDerWaalsContact C-N 3.26Å; E1826-R1828 PolarHBondContact O-N 3.17Å; E1826-R1829 PolarHBondContact O-N 3.14Å; E1826-R1829 VanDerWaalsContact O-N 3.14Å; E1826-R1829 IonicContact OE1-CZ 3.55Å; E1826-R1829 IonicContact OE1-NH1 3.36Å; E1826-R1829 PolarHBondContact OE1-NH1 3.3Å; E1826-R1829 WeakPolarHBondContact OE2-CD 3.15Å; E1826-R1829 IonicContact OE2-NH1 3.81Å; E1826-E1830 WeakPolarHBondContact O-CG 3.44Å; E1826-E1830 PolarHBondContact O-N 3.15Å |
| 1827 | L | 93.8 | Very high | 89.7 | Confident | 3.25 Ų | 3.25 | 35.8 Ų | 35.8 | 2% | 0.017 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.4 | -42.1 | 172.9 | 178.3 | 67.6 | 0 | 0 | 0 | 111.4 | Y1746 V1750 T1813 V1817 N1823 G1832 L1836 V1868 | Y1746-L1827 HydrophobicContact CD1-CB 4.2Å; Y1746-L1827 HydrophobicContact CD1-CD1 3.65Å; Y1746-L1827 HydrophobicContact CE1-CB 3.85Å; Y1746-L1827 HydrophobicContact CE1-CD1 3.65Å; Y1746-L1827 HydrophobicContact CE1-CG 4.26Å; Y1746-L1827 HydrophobicContact CE2-CB 4.28Å; V1750-L1827 HydrophobicContact CG2-CD1 4.43Å; T1813-L1827 HydrophobicContact CG2-CD1 3.96Å; T1813-L1827 HydrophobicContact CG2-CD2 3.81Å; V1817-L1827 HydrophobicContact CG2-CB 4.46Å; V1817-L1827 HydrophobicContact CG2-CD2 3.7Å; N1823-L1827 WeakPolarHBondContact O-CB 3.39Å; N1823-L1827 PolarHBondContact O-N 3.29Å; L1827-G1832 WeakPolarHBondContact O-CA 3.33Å; L1827-G1832 PolarHBondContact O-N 3.19Å; L1827-L1836 HydrophobicContact CD2-CD1 4.07Å; L1827-V1868 HydrophobicContact CD2-CG1 3.88Å |
| 1828 | R | 89.7 | Confident | 89.7 | Confident | 48 Ų | 48 | 41.1 Ų | 41.1 | 18% | 0.181 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.7 | -46.5 | 176 | -177.5 | -161 | 45.6 | -141.2 | 7.6 | 111.4 | A1824 E1825 E1826 E1830 N1831 I1833 S1877 S1878 C1881 | A1824-R1828 PolarHBondContact O-N 3Å; E1825-R1828 WeakPolarHBondContact O-CB 3.44Å; E1825-R1828 PolarHBondContact O-N 3.24Å; E1825-R1828 IonicContact OE1-CZ 3.62Å; E1825-R1828 IonicContact OE1-NH1 2.69Å; E1825-R1828 IonicContact OE1-NH2 3.26Å; E1825-R1828 PolarHBondContact OE1-NH2 3.12Å; E1826-R1828 VanDerWaalsContact C-N 3.26Å; E1826-R1828 PolarHBondContact O-N 3.17Å; R1828-E1830 PolarHBondContact O-N 3.02Å; R1828-N1831 PolarHBondContact O-N 2.97Å; R1828-I1833 HydrophobicContact CB-CD1 4.19Å; R1828-I1833 HydrophobicContact CG-CD1 4.26Å; R1828-S1877 WeakPolarHBondContact CD-O 3.28Å; R1828-S1877 VanDerWaalsContact CZ-CB 3.44Å; R1828-S1877 VanDerWaalsContact NE-C 3.31Å; R1828-S1877 PolarHBondContact NE-O 3.12Å; R1828-S1877 VanDerWaalsContact NE-O 3.1Å; R1828-S1877 PolarHBondContact NH1-OG 3.17Å; R1828-S1877 PolarHBondContact NH2-OG 2.78Å; R1828-S1878 PolarHBondContact NE-OG 2.8Å; R1828-S1878 PolarHBondContact NH1-OG 3.33Å; R1828-S1878 VanDerWaalsContact NH1-OG 3.14Å; R1828-S1878 VanDerWaalsContact NH2-N 3.18Å; R1828-S1878 PolarHBondContact NH2-OG 2.84Å; R1828-C1881 HydrophobicContact CG-CB 4.44Å |
| 1829 | R | 90 | Very high | 89.8 | Confident | 136.25 Ų | 136.25 | 39.1 Ų | 39.1 | 51% | 0.514 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58 | -35.8 | 179.8 | -74.4 | 174.1 | 178.2 | -171.2 | -0.5 | 112.4 | E1825 E1826 N1831 | E1825-R1829 WeakPolarHBondContact O-CG 3.33Å; E1825-R1829 PolarHBondContact O-N 3.26Å; E1825-R1829 IonicContact OE1-CZ 3.08Å; E1825-R1829 VanDerWaalsContact OE1-CZ 3.28Å; E1825-R1829 IonicContact OE1-NE 2.97Å; E1825-R1829 PolarHBondContact OE1-NE 3.26Å; E1825-R1829 VanDerWaalsContact OE1-NE 3.12Å; E1825-R1829 IonicContact OE1-NH2 3.51Å; E1825-R1829 PolarHBondContact OE1-NH2 3.32Å; E1826-R1829 PolarHBondContact O-N 3.14Å; E1826-R1829 VanDerWaalsContact O-N 3.14Å; E1826-R1829 IonicContact OE1-CZ 3.55Å; E1826-R1829 IonicContact OE1-NH1 3.36Å; E1826-R1829 PolarHBondContact OE1-NH1 3.3Å; E1826-R1829 WeakPolarHBondContact OE2-CD 3.15Å; E1826-R1829 IonicContact OE2-NH1 3.81Å; R1829-N1831 PolarHBondContact O-N 3.12Å |
| 1830 | E | 92.1 | Very high | 90.1 | Very high | 78.75 Ų | 78.75 | 38.8 Ų | 38.8 | 37% | 0.368 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 16.4 | 177.4 | -65.7 | -61.9 | 154.8 | 0 | 0 | 113.8 | P1747 V1750 E1826 R1828 G1832 | P1747-E1830 HydrophobicContact CG-CG 4.25Å; V1750-E1830 HydrophobicContact CG2-CB 4.47Å; E1826-E1830 WeakPolarHBondContact O-CG 3.44Å; E1826-E1830 PolarHBondContact O-N 3.15Å; R1828-E1830 PolarHBondContact O-N 3.02Å; E1830-G1832 PolarHBondContact O-N 3.16Å |
| 1831 | N | 90 | Very high | 90.4 | Very high | 109.25 Ų | 109.25 | 39.4 Ų | 39.4 | 58% | 0.584 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 30.4 | -176.9 | -62.9 | -58.3 | 0 | 0 | 0 | 114 | R1828 R1829 P1834 V1835 | R1828-N1831 PolarHBondContact O-N 2.97Å; R1829-N1831 PolarHBondContact O-N 3.12Å; N1831-P1834 WeakPolarHBondContact O-CD 3.35Å; N1831-V1835 VanDerWaalsContact O-CG2 3.24Å; N1831-V1835 WeakPolarHBondContact O-CG2 3.37Å |
| 1832 | G | 92.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.2 | -35.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1827 E1830 V1835 L1836 | L1827-G1832 WeakPolarHBondContact O-CA 3.33Å; L1827-G1832 PolarHBondContact O-N 3.19Å; E1830-G1832 PolarHBondContact O-N 3.16Å; G1832-V1835 WeakPolarHBondContact O-CB 3.38Å; G1832-V1835 PolarHBondContact O-N 3.35Å; G1832-L1836 VanDerWaalsContact O-CG 3.3Å; G1832-L1836 WeakPolarHBondContact O-CG 3.33Å; G1832-L1836 PolarHBondContact O-N 3.32Å |
| 1833 | I | 91.7 | Very high | 91.1 | Very high | 2.5 Ų | 2.5 | 35.4 Ų | 35.4 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.3 | -49.7 | -178.8 | -62.7 | 172.8 | 0 | 0 | 0 | 111.9 | R1828 V1835 L1836 Q1837 C1881 I1882 L1888 | R1828-I1833 HydrophobicContact CB-CD1 4.19Å; R1828-I1833 HydrophobicContact CG-CD1 4.26Å; I1833-V1835 VanDerWaalsContact C-N 3.26Å; I1833-V1835 PolarHBondContact O-N 3.15Å; I1833-L1836 PolarHBondContact O-N 3.19Å; I1833-Q1837 PolarHBondContact O-N 3.19Å; I1833-C1881 HydrophobicContact CD1-CB 4.16Å; I1833-I1882 HydrophobicContact CG2-CG1 4.44Å; I1833-L1888 HydrophobicContact CG2-CD1 3.82Å |
| 1834 | P | 91.4 | Very high | 91 | Very high | 47.75 Ų | 47.75 | 35.4 Ų | 35.4 | 31% | 0.31 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -57.6 | -34.5 | 173 | -27.9 | 34.2 | 0 | 0 | 0 | 114.3 | N1831 Q1837 K1838 | N1831-P1834 WeakPolarHBondContact O-CD 3.35Å; P1834-Q1837 WeakPolarHBondContact O-CB 3.37Å; P1834-Q1837 PolarHBondContact O-N 3.19Å; P1834-K1838 PolarHBondContact O-N 3.24Å; P1834-K1838 VanDerWaalsContact O-N 3.12Å |
| 1835 | V | 93.1 | Very high | 91 | Very high | 10.5 Ų | 10.5 | 40.3 Ų | 40.3 | 6% | 0.064 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.1 | -43.6 | 178 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | V1750 I1753 L1754 I1757 N1831 G1832 I1833 Q1837 K1838 A1839 | V1750-V1835 HydrophobicContact CG1-CB 4.14Å; V1750-V1835 HydrophobicContact CG1-CG1 4.24Å; V1750-V1835 HydrophobicContact CG1-CG2 3.65Å; I1753-V1835 HydrophobicContact CB-CG1 3.97Å; I1753-V1835 HydrophobicContact CG2-CG1 3.54Å; L1754-V1835 HydrophobicContact CD1-CG2 3.81Å; L1754-V1835 HydrophobicContact CD2-CB 4.24Å; L1754-V1835 HydrophobicContact CD2-CG1 3.84Å; L1754-V1835 HydrophobicContact CD2-CG2 3.63Å; L1754-V1835 HydrophobicContact CG-CB 4.27Å; L1754-V1835 HydrophobicContact CG-CG1 3.65Å; L1754-V1835 HydrophobicContact CG-CG2 3.63Å; I1757-V1835 HydrophobicContact CD1-CG1 4.34Å; N1831-V1835 VanDerWaalsContact O-CG2 3.24Å; N1831-V1835 WeakPolarHBondContact O-CG2 3.37Å; G1832-V1835 WeakPolarHBondContact O-CB 3.38Å; G1832-V1835 PolarHBondContact O-N 3.35Å; I1833-V1835 VanDerWaalsContact C-N 3.26Å; I1833-V1835 PolarHBondContact O-N 3.15Å; V1835-Q1837 VanDerWaalsContact C-N 3.27Å; V1835-Q1837 PolarHBondContact O-N 3.18Å; V1835-K1838 PolarHBondContact O-N 3.28Å; V1835-A1839 PolarHBondContact O-N 2.93Å |
| 1836 | L | 94.1 | Very high | 91 | Very high | 1.75 Ų | 1.75 | 42.3 Ų | 42.3 | 1% | 0.009 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62 | -36.9 | 172.5 | -66.4 | 173.2 | 0 | 0 | 0 | 111.1 | I1753 T1810 T1813 L1827 G1832 I1833 K1838 A1839 F1840 I1865 V1868 | I1753-L1836 HydrophobicContact CD1-CD2 4.1Å; T1810-L1836 HydrophobicContact CG2-CD2 4.41Å; T1813-L1836 HydrophobicContact CG2-CD1 4.08Å; T1813-L1836 HydrophobicContact CG2-CD2 4.4Å; L1827-L1836 HydrophobicContact CD2-CD1 4.07Å; G1832-L1836 VanDerWaalsContact O-CG 3.3Å; G1832-L1836 WeakPolarHBondContact O-CG 3.33Å; G1832-L1836 PolarHBondContact O-N 3.32Å; I1833-L1836 PolarHBondContact O-N 3.19Å; L1836-K1838 VanDerWaalsContact C-N 3.35Å; L1836-K1838 PolarHBondContact O-N 3.2Å; L1836-A1839 WeakPolarHBondContact O-CB 3.42Å; L1836-A1839 PolarHBondContact O-N 3.36Å; L1836-F1840 WeakPolarHBondContact O-CB 3.36Å; L1836-F1840 PolarHBondContact O-N 3.06Å; L1836-I1865 HydrophobicContact CB-CG2 4.38Å; L1836-I1865 HydrophobicContact CD2-CG1 4.19Å; L1836-V1868 HydrophobicContact CD1-CB 4.41Å; L1836-V1868 HydrophobicContact CD1-CG1 3.69Å |
| 1837 | Q | 93.9 | Very high | 91 | Very high | 38.25 Ų | 38.25 | 41.5 Ų | 41.5 | 18% | 0.179 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.6 | -46.2 | 174.1 | -179.6 | -90 | -33.7 | 0 | 0 | 111.8 | I1833 P1834 V1835 A1839 F1840 S1841 T1885 L1888 | I1833-Q1837 PolarHBondContact O-N 3.19Å; P1834-Q1837 WeakPolarHBondContact O-CB 3.37Å; P1834-Q1837 PolarHBondContact O-N 3.19Å; V1835-Q1837 VanDerWaalsContact C-N 3.27Å; V1835-Q1837 PolarHBondContact O-N 3.18Å; Q1837-A1839 VanDerWaalsContact C-N 3.33Å; Q1837-A1839 PolarHBondContact O-N 2.92Å; Q1837-F1840 WeakPolarHBondContact O-CB 3.17Å; Q1837-F1840 PolarHBondContact O-N 3.23Å; Q1837-S1841 PolarHBondContact NE2-OG 2.95Å; Q1837-S1841 PolarHBondContact O-N 3.31Å; Q1837-S1841 PolarHBondContact O-OG 3.15Å; Q1837-T1885 HydrophobicContact CB-CG2 4.32Å; Q1837-T1885 HydrophobicContact CG-CG2 3.76Å; Q1837-L1888 HydrophobicContact CB-CD1 4.41Å; Q1837-L1888 HydrophobicContact CB-CD2 3.52Å; Q1837-L1888 HydrophobicContact CB-CG 3.89Å; Q1837-L1888 HydrophobicContact CG-CD2 3.73Å; Q1837-L1888 HydrophobicContact CG-CG 3.82Å |
| 1838 | K | 91.9 | Very high | 90.7 | Very high | 116 Ų | 116 | 43.1 Ų | 43.1 | 50% | 0.504 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.9 | -46.1 | 176.6 | -69.8 | 178.3 | -178.4 | -179.6 | 0 | 112 | I1757 P1834 V1835 L1836 F1840 Q1842 | I1757-K1838 HydrophobicContact CD1-CB 4.11Å; I1757-K1838 HydrophobicContact CD1-CD 4.27Å; I1757-K1838 HydrophobicContact CG2-CB 4.45Å; P1834-K1838 PolarHBondContact O-N 3.24Å; P1834-K1838 VanDerWaalsContact O-N 3.12Å; V1835-K1838 PolarHBondContact O-N 3.28Å; L1836-K1838 VanDerWaalsContact C-N 3.35Å; L1836-K1838 PolarHBondContact O-N 3.2Å; K1838-F1840 VanDerWaalsContact C-N 3.27Å; K1838-F1840 PolarHBondContact O-N 3.01Å; K1838-Q1842 WeakPolarHBondContact O-CB 3.29Å; K1838-Q1842 WeakPolarHBondContact O-CG 3.33Å; K1838-Q1842 PolarHBondContact O-N 3.31Å; K1838-Q1842 VanDerWaalsContact O-N 3.1Å |
| 1839 | A | 91.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.1 | -43.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1753 I1757 V1835 L1836 Q1837 Q1842 C1843 I1865 | I1753-A1839 HydrophobicContact CG2-CB 4.34Å; I1757-A1839 VanDerWaalsContact CD1-CA 3.47Å; I1757-A1839 HydrophobicContact CD1-CB 3.5Å; I1757-A1839 HydrophobicContact CG1-CB 3.95Å; I1757-A1839 HydrophobicContact CG2-CB 3.66Å; V1835-A1839 PolarHBondContact O-N 2.93Å; L1836-A1839 WeakPolarHBondContact O-CB 3.42Å; L1836-A1839 PolarHBondContact O-N 3.36Å; Q1837-A1839 VanDerWaalsContact C-N 3.33Å; Q1837-A1839 PolarHBondContact O-N 2.92Å; A1839-Q1842 PolarHBondContact O-N 3.26Å; A1839-C1843 WeakPolarHBondContact O-CB 3.42Å; A1839-C1843 PolarHBondContact O-N 3.07Å; A1839-C1843 PolarHBondContact O-SG 3.07Å; A1839-C1843 VanDerWaalsContact O-SG 3.35Å; A1839-I1865 HydrophobicContact CB-CD1 3.95Å |
| 1840 | F | 94.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.1 | -48.1 | -175.8 | -168.7 | -150 | 0 | 0 | 0 | 112 | L1836 Q1837 K1838 Q1842 C1843 S1844 C1862 I1865 V1866 L1869 L1888 D1891 L1895 | L1836-F1840 WeakPolarHBondContact O-CB 3.36Å; L1836-F1840 PolarHBondContact O-N 3.06Å; Q1837-F1840 WeakPolarHBondContact O-CB 3.17Å; Q1837-F1840 PolarHBondContact O-N 3.23Å; K1838-F1840 VanDerWaalsContact C-N 3.27Å; K1838-F1840 PolarHBondContact O-N 3.01Å; F1840-Q1842 VanDerWaalsContact C-N 3.31Å; F1840-Q1842 PolarHBondContact O-N 3.11Å; F1840-C1843 PolarHBondContact O-N 3.01Å; F1840-S1844 VanDerWaalsContact O-CB 3.22Å; F1840-S1844 WeakPolarHBondContact O-CB 3.31Å; F1840-S1844 PolarHBondContact O-N 3.21Å; F1840-S1844 PolarHBondContact O-OG 3.22Å; F1840-C1862 HydrophobicContact CD2-CB 4.34Å; F1840-C1862 HydrophobicContact CE2-CB 3.95Å; F1840-I1865 HydrophobicContact CB-CD1 3.83Å; F1840-I1865 HydrophobicContact CB-CG2 4.03Å; F1840-I1865 HydrophobicContact CD1-CG2 4.26Å; F1840-I1865 HydrophobicContact CD2-CB 4.43Å; F1840-I1865 HydrophobicContact CD2-CD1 4.35Å; F1840-I1865 HydrophobicContact CD2-CG2 4.32Å; F1840-I1865 HydrophobicContact CG-CD1 4.4Å; F1840-I1865 HydrophobicContact CG-CG2 3.96Å; F1840-V1866 HydrophobicContact CE1-CG1 4.47Å; F1840-V1866 HydrophobicContact CE1-CG2 4.33Å; F1840-V1866 HydrophobicContact CE2-CG1 4.32Å; F1840-V1866 HydrophobicContact CE2-CG2 4.16Å; F1840-V1866 HydrophobicContact CZ-CG1 3.84Å; F1840-V1866 HydrophobicContact CZ-CG2 3.75Å; F1840-L1869 HydrophobicContact CE1-CD1 4.48Å; F1840-L1888 HydrophobicContact CD1-CD2 4.14Å; F1840-D1891 HydrophobicContact CD1-CB 3.63Å; F1840-D1891 HydrophobicContact CE1-CB 3.41Å; F1840-D1891 VanDerWaalsContact CE1-CB 3.49Å; F1840-D1891 HydrophobicContact CG-CB 4.36Å; F1840-D1891 HydrophobicContact CZ-CB 3.95Å; F1840-D1891 WeakPolarHBondContact CZ-O 3.48Å; F1840-L1895 HydrophobicContact CE2-CD1 3.82Å; F1840-L1895 HydrophobicContact CE2-CD2 4.19Å; F1840-L1895 HydrophobicContact CE2-CG 4.2Å; F1840-L1895 HydrophobicContact CZ-CD1 3.77Å; F1840-L1895 HydrophobicContact CZ-CD2 4.39Å; F1840-L1895 HydrophobicContact CZ-CG 4Å |
| 1841 | S | 91.4 | Very high | 89.9 | Confident | 19.25 Ų | 19.25 | 45.4 Ų | 45.4 | 14% | 0.135 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.9 | -40.1 | 177.6 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | Q1837 S1844 N1845 D1891 | Q1837-S1841 PolarHBondContact NE2-OG 2.95Å; Q1837-S1841 PolarHBondContact O-N 3.31Å; Q1837-S1841 PolarHBondContact O-OG 3.15Å; S1841-S1844 WeakPolarHBondContact CA-OG 3.38Å; S1841-S1844 PolarHBondContact O-OG 3.06Å; S1841-N1845 PolarHBondContact O-N 3.08Å; S1841-N1845 PolarHBondContact O-ND2 3.23Å; S1841-N1845 VanDerWaalsContact O-ND2 3.12Å; S1841-D1891 WeakPolarHBondContact CA-OD2 3.43Å; S1841-D1891 WeakPolarHBondContact CB-OD2 3.35Å; S1841-D1891 PolarHBondContact OG-OD2 3.11Å |
| 1842 | Q | 87.7 | Confident | 90 | Very high | 47.5 Ų | 47.5 | 40.5 Ų | 40.5 | 22% | 0.222 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.4 | -53.7 | 175.2 | -119.9 | 178.7 | 7.7 | 0 | 0 | 111.5 | I1757 F1763 K1838 A1839 F1840 S1844 N1845 F1846 | I1757-Q1842 VanDerWaalsContact CB-OE1 3.32Å; I1757-Q1842 VanDerWaalsContact CG2-CD 3.49Å; I1757-Q1842 VanDerWaalsContact CG2-NE2 3.29Å; I1757-Q1842 VanDerWaalsContact CG2-OE1 3.23Å; I1757-Q1842 PolarHBondContact O-NE2 3.12Å; I1757-Q1842 VanDerWaalsContact O-NE2 3.11Å; I1757-Q1842 PolarHBondContact O-OE1 3.05Å; F1763-Q1842 HydrophobicContact CD2-CG 3.95Å; F1763-Q1842 HydrophobicContact CE2-CB 4.3Å; F1763-Q1842 HydrophobicContact CE2-CG 3.69Å; F1763-Q1842 VanDerWaalsContact CE2-OE1 3.27Å; F1763-Q1842 HydrophobicContact CZ-CB 4.16Å; F1763-Q1842 HydrophobicContact CZ-CG 4.03Å; K1838-Q1842 WeakPolarHBondContact O-CB 3.29Å; K1838-Q1842 WeakPolarHBondContact O-CG 3.33Å; K1838-Q1842 PolarHBondContact O-N 3.31Å; K1838-Q1842 VanDerWaalsContact O-N 3.1Å; A1839-Q1842 PolarHBondContact O-N 3.26Å; F1840-Q1842 VanDerWaalsContact C-N 3.31Å; F1840-Q1842 PolarHBondContact O-N 3.11Å; Q1842-S1844 VanDerWaalsContact C-N 3.35Å; Q1842-S1844 PolarHBondContact O-N 3.31Å; Q1842-N1845 PolarHBondContact O-N 3.21Å; Q1842-F1846 HydrophobicContact CG-CE2 4.19Å; Q1842-F1846 WeakPolarHBondContact O-CD2 3.34Å |
| 1843 | C | 89.8 | Confident | 89.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.6 | -41.6 | -178.2 | -69 | 0 | 0 | 0 | 0 | 112.8 | F1763 A1839 F1840 N1845 F1846 V1858 V1861 | F1763-C1843 VanDerWaalsContact CE1-SG 3.54Å; A1839-C1843 WeakPolarHBondContact O-CB 3.42Å; A1839-C1843 PolarHBondContact O-N 3.07Å; A1839-C1843 PolarHBondContact O-SG 3.07Å; A1839-C1843 VanDerWaalsContact O-SG 3.35Å; F1840-C1843 PolarHBondContact O-N 3.01Å; C1843-N1845 VanDerWaalsContact C-N 3.27Å; C1843-N1845 PolarHBondContact O-N 2.96Å; C1843-F1846 PolarHBondContact O-N 3.15Å; C1843-F1846 VanDerWaalsContact O-N 3.11Å; C1843-V1858 HydrophobicContact CB-CB 4.23Å; C1843-V1858 HydrophobicContact CB-CG1 4.32Å; C1843-V1861 HydrophobicContact CB-CG1 4.27Å; C1843-V1861 VanDerWaalsContact SG-CG1 3.5Å; C1843-V1861 WeakPolarHBondContact SG-CG1 3.39Å |
| 1844 | S | 88.5 | Confident | 89.5 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.6 | -26.7 | -178.7 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | F1840 S1841 Q1842 F1846 L1847 R1894 | F1840-S1844 VanDerWaalsContact O-CB 3.22Å; F1840-S1844 WeakPolarHBondContact O-CB 3.31Å; F1840-S1844 PolarHBondContact O-N 3.21Å; F1840-S1844 PolarHBondContact O-OG 3.22Å; S1841-S1844 WeakPolarHBondContact CA-OG 3.38Å; S1841-S1844 PolarHBondContact O-OG 3.06Å; Q1842-S1844 VanDerWaalsContact C-N 3.35Å; Q1842-S1844 PolarHBondContact O-N 3.31Å; S1844-F1846 PolarHBondContact O-N 3.15Å; S1844-L1847 WeakPolarHBondContact O-CB 3.47Å; S1844-L1847 PolarHBondContact O-N 3.27Å; S1844-R1894 VanDerWaalsContact C-NH2 3.31Å; S1844-R1894 VanDerWaalsContact CB-NH2 3.25Å; S1844-R1894 PolarHBondContact O-NH2 3.08Å; S1844-R1894 PolarHBondContact OG-NH2 3.42Å |
| 1845 | N | 86.6 | Confident | 89 | Confident | 106 Ų | 106 | 50.6 Ų | 50.6 | 57% | 0.567 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -68.8 | -20.1 | 173.2 | -72.4 | -19.5 | 0 | 0 | 0 | 113.8 | S1841 Q1842 C1843 R1894 | S1841-N1845 PolarHBondContact O-N 3.08Å; S1841-N1845 PolarHBondContact O-ND2 3.23Å; S1841-N1845 VanDerWaalsContact O-ND2 3.12Å; Q1842-N1845 PolarHBondContact O-N 3.21Å; C1843-N1845 VanDerWaalsContact C-N 3.27Å; C1843-N1845 PolarHBondContact O-N 2.96Å; N1845-R1894 PolarHBondContact OD1-NH1 3.28Å; N1845-R1894 VanDerWaalsContact OD1-NH1 3.08Å; N1845-R1894 PolarHBondContact OD1-NH2 3.1Å |
| 1846 | F | 86.6 | Confident | 88.8 | Confident | 93.25 Ų | 93.25 | 50.9 Ų | 50.9 | 41% | 0.409 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 0.1 | 175.8 | -68.8 | -77.9 | 0 | 0 | 0 | 113.4 | F1763 Q1842 C1843 S1844 V1858 | F1763-F1846 HydrophobicContact CB-CD1 4.3Å; F1763-F1846 HydrophobicContact CB-CD2 3.76Å; F1763-F1846 HydrophobicContact CB-CE1 3.86Å; F1763-F1846 HydrophobicContact CB-CE2 3.29Å; F1763-F1846 HydrophobicContact CB-CG 4.26Å; F1763-F1846 HydrophobicContact CB-CZ 3.35Å; F1763-F1846 AromaticContact CD1-CD2 3.91Å; F1763-F1846 HydrophobicContact CD1-CD2 3.91Å; F1763-F1846 AromaticContact CD1-CE2 3.79Å; F1763-F1846 HydrophobicContact CD1-CE2 4.01Å; F1763-F1846 AromaticContact CD2-CE2 3.99Å; F1763-F1846 HydrophobicContact CD2-CE2 4.08Å; F1763-F1846 AromaticContact CG-CD2 3.9Å; F1763-F1846 HydrophobicContact CG-CD2 3.9Å; F1763-F1846 AromaticContact CG-CE2 3.52Å; F1763-F1846 HydrophobicContact CG-CE2 3.52Å; F1763-F1846 VanDerWaalsContact CG-CE2 3.46Å; F1763-F1846 AromaticContact CG-CZ 3.94Å; F1763-F1846 HydrophobicContact CG-CZ 4.08Å; Q1842-F1846 HydrophobicContact CG-CE2 4.19Å; Q1842-F1846 WeakPolarHBondContact O-CD2 3.34Å; C1843-F1846 PolarHBondContact O-N 3.15Å; C1843-F1846 VanDerWaalsContact O-N 3.11Å; S1844-F1846 PolarHBondContact O-N 3.15Å; F1846-V1858 HydrophobicContact CB-CG1 4.09Å |
| 1847 | L | 89.9 | Confident | 88.4 | Confident | 11.5 Ų | 11.5 | 52 Ų | 52 | 6% | 0.06 | 28% | 0.278 | C | S | . | . | trans | -77.6 | 133.6 | 175.6 | -66.7 | 175.8 | 0 | 0 | 0 | 111.2 | S1844 S1852 V1858 V1859 L1895 Y1898 L1901 L1904 | S1844-L1847 WeakPolarHBondContact O-CB 3.47Å; S1844-L1847 PolarHBondContact O-N 3.27Å; L1847-S1852 WeakPolarHBondContact CA-OG 3.47Å; L1847-V1858 HydrophobicContact CD2-CB 4.42Å; L1847-V1858 HydrophobicContact CD2-CG2 3.83Å; L1847-V1859 HydrophobicContact CD2-CG2 3.63Å; L1847-L1895 HydrophobicContact CD1-CD2 3.44Å; L1847-L1895 VanDerWaalsContact CD1-CD2 3.45Å; L1847-Y1898 VanDerWaalsContact C-CE1 3.46Å; L1847-Y1898 HydrophobicContact CB-CD1 4.26Å; L1847-Y1898 HydrophobicContact CB-CD2 4.22Å; L1847-Y1898 HydrophobicContact CB-CE1 3.73Å; L1847-Y1898 HydrophobicContact CB-CE2 3.7Å; L1847-Y1898 HydrophobicContact CB-CG 4.45Å; L1847-Y1898 VanDerWaalsContact CB-CZ 3.43Å; L1847-Y1898 HydrophobicContact CD1-CD2 4.15Å; L1847-Y1898 HydrophobicContact CD1-CE2 3.93Å; L1847-Y1898 HydrophobicContact CG-CE2 4.47Å; L1847-Y1898 VanDerWaalsContact O-CE1 3.23Å; L1847-Y1898 WeakPolarHBondContact O-CE1 3.35Å; L1847-Y1898 PolarHBondContact O-OH 2.97Å; L1847-Y1898 VanDerWaalsContact O-OH 3.09Å; L1847-L1901 HydrophobicContact CD2-CD1 4.16Å; L1847-L1904 HydrophobicContact CD1-CD2 4.31Å | ||
| 1848 | S | 89.1 | Confident | 88.2 | Confident | 36.75 Ų | 36.75 | 50.9 Ų | 50.9 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | trans | -128 | 145.5 | 179.4 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | T1850 S1851 S1852 N1900 | S1848-T1850 VanDerWaalsContact C-N 3.25Å; S1848-T1850 PolarHBondContact O-N 3.27Å; S1848-T1850 PolarHBondContact OG-N 3.32Å; S1848-T1850 PolarHBondContact OG-OG1 3Å; S1848-S1851 PolarHBondContact OG-N 3.05Å; S1848-S1852 PolarHBondContact N-OG 2.99Å; S1848-S1852 VanDerWaalsContact O-CB 3.31Å; S1848-S1852 WeakPolarHBondContact O-CB 3.41Å; S1848-S1852 PolarHBondContact O-N 3.03Å; S1848-S1852 PolarHBondContact O-OG 3.14Å; S1848-N1900 PolarHBondContact O-ND2 3.02Å; S1848-N1900 VanDerWaalsContact O-ND2 3.1Å | ||
| 1849 | R | 83.7 | Confident | 88.2 | Confident | 126 Ų | 126 | 46 Ų | 46 | 48% | 0.475 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -20.6 | 175.5 | -79.7 | -172.3 | -45.9 | -170.7 | -0.9 | 113.9 | Y1897 Y1898 N1900 | R1849-Y1897 VanDerWaalsContact CD-CE1 3.46Å; R1849-Y1897 WeakPolarHBondContact CD-OH 3.45Å; R1849-Y1897 HydrophobicContact CG-CD1 4.29Å; R1849-Y1897 HydrophobicContact CG-CE1 3.98Å; R1849-Y1897 VanDerWaalsContact CZ-CE1 3.49Å; R1849-Y1897 VanDerWaalsContact CZ-CE2 3.46Å; R1849-Y1897 VanDerWaalsContact CZ-CZ 3.48Å; R1849-Y1897 VanDerWaalsContact NE-CE1 3.3Å; R1849-Y1897 VanDerWaalsContact NE-CZ 3.25Å; R1849-Y1897 PolarHBondContact NE-O 3.26Å; R1849-Y1897 VanDerWaalsContact NE-O 3.13Å; R1849-Y1897 VanDerWaalsContact NH1-CE2 3.28Å; R1849-Y1897 PolarHBondContact NH1-OH 3.24Å; R1849-Y1897 VanDerWaalsContact NH1-OH 3.12Å; R1849-Y1897 PolarHBondContact NH2-O 3.45Å; R1849-Y1897 VanDerWaalsContact NH2-O 3.13Å; R1849-Y1897 PolarHBondContact NH2-OH 2.79Å; R1849-Y1898 HydrophobicContact CG-CD1 3.9Å; R1849-Y1898 HydrophobicContact CG-CE1 4.41Å; R1849-N1900 WeakPolarHBondContact CA-OD1 3.42Å; R1849-N1900 VanDerWaalsContact O-CG 3.24Å; R1849-N1900 PolarHBondContact O-ND2 3.03Å; R1849-N1900 PolarHBondContact O-OD1 2.97Å |
| 1850 | T | 84.2 | Confident | 88.2 | Confident | 121.5 Ų | 121.5 | 49.6 Ų | 49.6 | 75% | 0.745 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | -36.8 | -175.7 | 52.1 | 0 | 0 | 0 | 0 | 112.6 | S1848 | S1848-T1850 VanDerWaalsContact C-N 3.25Å; S1848-T1850 PolarHBondContact O-N 3.27Å; S1848-T1850 PolarHBondContact OG-N 3.32Å; S1848-T1850 PolarHBondContact OG-OG1 3Å |
| 1851 | S | 87.2 | Confident | 88.2 | Confident | 64.25 Ų | 64.25 | 49.6 Ų | 49.6 | 45% | 0.449 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -27.1 | -170.6 | -49.4 | 0 | 0 | 0 | 0 | 114.1 | S1848 H1856 | S1848-S1851 PolarHBondContact OG-N 3.05Å; S1851-H1856 PolarHBondContact O-CE1 3.13Å |
| 1852 | S | 90.6 | Very high | 88.4 | Confident | 7.75 Ų | 7.75 | 48.7 Ų | 48.7 | 5% | 0.054 | 26% | 0.264 | C | S | . | . | trans | -77.3 | 133.5 | -176.4 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | L1847 S1848 N1900 | L1847-S1852 WeakPolarHBondContact CA-OG 3.47Å; S1848-S1852 PolarHBondContact N-OG 2.99Å; S1848-S1852 VanDerWaalsContact O-CB 3.31Å; S1848-S1852 WeakPolarHBondContact O-CB 3.41Å; S1848-S1852 PolarHBondContact O-N 3.03Å; S1848-S1852 PolarHBondContact O-OG 3.14Å; S1852-N1900 PolarHBondContact O-ND2 3.25Å | ||
| 1853 | R | 88.9 | Confident | 88.7 | Confident | 115.75 Ų | 115.75 | 46.7 Ų | 46.7 | 44% | 0.437 | 26% | 0.256 | S | S | . | . | trans | -128.4 | 157.9 | 179.7 | -58 | -179.5 | -174.5 | 173.5 | 6 | 111.1 | E1771 G1855 H1856 | E1771-R1853 IonicContact OE1-NH2 3.2Å; E1771-R1853 PolarHBondContact OE1-NH2 3.29Å; R1853-G1855 PolarHBondContact O-N 3.24Å; R1853-H1856 WeakPolarHBondContact O-CB 3.23Å; R1853-H1856 PolarHBondContact O-CD2 3Å; R1853-H1856 PolarHBondContact O-N 3.16Å | ||
| 1854 | P | 84.2 | Confident | 89 | Confident | 96.25 Ų | 96.25 | 48.3 Ų | 48.3 | 63% | 0.625 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 139.1 | 169.7 | -24.4 | 34.5 | 0 | 0 | 0 | 111.4 | H1856 L1901 | P1854-H1856 VanDerWaalsContact C-N 3.32Å; P1854-H1856 PolarHBondContact O-N 2.83Å; P1854-L1901 HydrophobicContact CG-CD2 4.46Å |
| 1855 | G | 82.4 | Confident | 89.4 | Confident | 49.5 Ų | 49.5 | 48.3 Ų | 48.3 | 51% | 0.51 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | -11.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R1853 I1857 E1860 | R1853-G1855 PolarHBondContact O-N 3.24Å; G1855-I1857 PolarHBondContact O-N 3.18Å; G1855-E1860 WeakPolarHBondContact CA-OE1 3.33Å; G1855-E1860 PolarHBondContact N-OE1 2.9Å |
| 1856 | H | 87.7 | Confident | 89.8 | Confident | 17.25 Ų | 17.25 | 43.2 Ų | 43.2 | 8% | 0.08 | 24% | 0.237 | C | C | . | . | trans | -63.9 | 137.9 | 168.9 | -76.5 | -150 | 0 | 0 | 0 | 109.8 | S1770 S1851 R1853 P1854 V1858 V1859 E1860 | S1770-H1856 PolarHBondContact OG-NE2 3.36Å; S1770-H1856 VanDerWaalsContact OG-NE2 3.08Å; S1851-H1856 PolarHBondContact O-CE1 3.13Å; R1853-H1856 WeakPolarHBondContact O-CB 3.23Å; R1853-H1856 PolarHBondContact O-CD2 3Å; R1853-H1856 PolarHBondContact O-N 3.16Å; P1854-H1856 VanDerWaalsContact C-N 3.32Å; P1854-H1856 PolarHBondContact O-N 2.83Å; H1856-V1858 VanDerWaalsContact C-N 3.29Å; H1856-V1858 HydrophobicContact CB-CG2 4.48Å; H1856-V1858 PolarHBondContact O-N 3.03Å; H1856-V1858 VanDerWaalsContact O-N 3.16Å; H1856-V1859 HydrophobicContact CB-CB 4.42Å; H1856-V1859 HydrophobicContact CB-CG2 4Å; H1856-V1859 WeakPolarHBondContact O-CA 3.35Å; H1856-V1859 WeakPolarHBondContact O-CB 3.34Å; H1856-V1859 PolarHBondContact O-N 3.07Å; H1856-E1860 PolarHBondContact O-N 3.35Å; H1856-E1860 VanDerWaalsContact O-N 3.08Å | ||
| 1857 | I | 85.4 | Confident | 90.2 | Very high | 25 Ų | 25 | 39.1 Ų | 39.1 | 13% | 0.128 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -49.1 | -48.5 | -177.7 | -70.5 | 127.2 | 0 | 0 | 0 | 112.5 | A1803 V1807 G1855 V1859 E1860 V1861 | A1803-I1857 HydrophobicContact CB-CB 4.37Å; A1803-I1857 HydrophobicContact CB-CD1 3.39Å; A1803-I1857 VanDerWaalsContact CB-CD1 3.43Å; A1803-I1857 HydrophobicContact CB-CG1 3.86Å; A1803-I1857 HydrophobicContact CB-CG2 4.09Å; A1803-I1857 WeakPolarHBondContact O-CG2 3.39Å; V1807-I1857 HydrophobicContact CG2-CB 4.18Å; V1807-I1857 HydrophobicContact CG2-CG1 4.14Å; V1807-I1857 HydrophobicContact CG2-CG2 3.75Å; G1855-I1857 PolarHBondContact O-N 3.18Å; I1857-V1859 VanDerWaalsContact C-N 3.26Å; I1857-V1859 PolarHBondContact O-N 3.24Å; I1857-E1860 PolarHBondContact O-N 3.31Å; I1857-V1861 HydrophobicContact CG2-CG2 4.23Å; I1857-V1861 WeakPolarHBondContact O-CB 3.37Å; I1857-V1861 VanDerWaalsContact O-CG2 3.29Å; I1857-V1861 WeakPolarHBondContact O-CG2 3.35Å; I1857-V1861 PolarHBondContact O-N 3.07Å |
| 1858 | V | 89.5 | Confident | 90.4 | Very high | 15.75 Ų | 15.75 | 38.7 Ų | 38.7 | 10% | 0.095 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.1 | -30.4 | -178.2 | -65.3 | 0 | 0 | 0 | 0 | 112.7 | F1763 C1843 F1846 L1847 H1856 C1862 | F1763-V1858 HydrophobicContact CD1-CG1 4.12Å; F1763-V1858 HydrophobicContact CE1-CG1 4.34Å; C1843-V1858 HydrophobicContact CB-CB 4.23Å; C1843-V1858 HydrophobicContact CB-CG1 4.32Å; F1846-V1858 HydrophobicContact CB-CG1 4.09Å; L1847-V1858 HydrophobicContact CD2-CB 4.42Å; L1847-V1858 HydrophobicContact CD2-CG2 3.83Å; H1856-V1858 VanDerWaalsContact C-N 3.29Å; H1856-V1858 HydrophobicContact CB-CG2 4.48Å; H1856-V1858 PolarHBondContact O-N 3.03Å; H1856-V1858 VanDerWaalsContact O-N 3.16Å; V1858-C1862 VanDerWaalsContact O-CB 3.31Å; V1858-C1862 WeakPolarHBondContact O-CB 3.39Å; V1858-C1862 PolarHBondContact O-N 3.3Å; V1858-C1862 VanDerWaalsContact O-N 3.1Å; V1858-C1862 PolarHBondContact O-SG 3.14Å |
| 1859 | V | 92.4 | Very high | 90.6 | Very high | 13.25 Ų | 13.25 | 37 Ų | 37 | 8% | 0.08 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -73 | -45.1 | 176.9 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | L1847 H1856 I1857 C1862 G1863 L1901 L1904 | L1847-V1859 HydrophobicContact CD2-CG2 3.63Å; H1856-V1859 HydrophobicContact CB-CB 4.42Å; H1856-V1859 HydrophobicContact CB-CG2 4Å; H1856-V1859 WeakPolarHBondContact O-CA 3.35Å; H1856-V1859 WeakPolarHBondContact O-CB 3.34Å; H1856-V1859 PolarHBondContact O-N 3.07Å; I1857-V1859 VanDerWaalsContact C-N 3.26Å; I1857-V1859 PolarHBondContact O-N 3.24Å; V1859-C1862 PolarHBondContact O-N 3.22Å; V1859-G1863 PolarHBondContact O-N 3.04Å; V1859-L1901 HydrophobicContact CG1-CD1 4.24Å; V1859-L1901 HydrophobicContact CG1-CD2 4.15Å; V1859-L1901 HydrophobicContact CG2-CD1 3.75Å; V1859-L1901 HydrophobicContact CG2-CD2 4.1Å; V1859-L1904 HydrophobicContact CG1-CD2 4.27Å |
| 1860 | E | 92.6 | Very high | 91 | Very high | 75.25 Ų | 75.25 | 31 Ų | 31 | 35% | 0.352 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.7 | -46.4 | 177.7 | -65 | -150.7 | 157.9 | 0 | 0 | 111.7 | V1807 G1855 H1856 I1857 C1862 G1863 H1864 | V1807-E1860 HydrophobicContact CG1-CB 4.12Å; V1807-E1860 WeakPolarHBondContact CG1-OE2 3.41Å; V1807-E1860 HydrophobicContact CG2-CB 4.39Å; G1855-E1860 WeakPolarHBondContact CA-OE1 3.33Å; G1855-E1860 PolarHBondContact N-OE1 2.9Å; H1856-E1860 PolarHBondContact O-N 3.35Å; H1856-E1860 VanDerWaalsContact O-N 3.08Å; I1857-E1860 PolarHBondContact O-N 3.31Å; E1860-C1862 PolarHBondContact O-N 3.02Å; E1860-G1863 PolarHBondContact O-N 3.13Å; E1860-G1863 VanDerWaalsContact O-N 3.14Å; E1860-H1864 VanDerWaalsContact O-CG 3.27Å; E1860-H1864 PolarHBondContact O-N 3.05Å; E1860-H1864 PolarHBondContact O-ND1 2.98Å; E1860-H1864 VanDerWaalsContact O-ND1 3.16Å |
| 1861 | V | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.9 | -48.1 | 176.7 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | L1806 V1807 T1810 C1843 I1857 G1863 H1864 I1865 | L1806-V1861 HydrophobicContact CB-CG2 4.45Å; L1806-V1861 HydrophobicContact CD2-CG1 4.36Å; L1806-V1861 HydrophobicContact CD2-CG2 4.11Å; L1806-V1861 HydrophobicContact CG-CG1 4.42Å; L1806-V1861 HydrophobicContact CG-CG2 3.87Å; V1807-V1861 HydrophobicContact CG2-CG2 4Å; T1810-V1861 HydrophobicContact CG2-CG1 4.07Å; C1843-V1861 HydrophobicContact CB-CG1 4.27Å; C1843-V1861 VanDerWaalsContact SG-CG1 3.5Å; C1843-V1861 WeakPolarHBondContact SG-CG1 3.39Å; I1857-V1861 HydrophobicContact CG2-CG2 4.23Å; I1857-V1861 WeakPolarHBondContact O-CB 3.37Å; I1857-V1861 VanDerWaalsContact O-CG2 3.29Å; I1857-V1861 WeakPolarHBondContact O-CG2 3.35Å; I1857-V1861 PolarHBondContact O-N 3.07Å; V1861-G1863 VanDerWaalsContact C-N 3.3Å; V1861-G1863 PolarHBondContact O-N 3.3Å; V1861-H1864 PolarHBondContact O-N 3.31Å; V1861-I1865 HydrophobicContact CG1-CD1 3.63Å; V1861-I1865 HydrophobicContact CG1-CG1 4.36Å; V1861-I1865 VanDerWaalsContact O-CG1 3.25Å; V1861-I1865 WeakPolarHBondContact O-CG1 3.28Å; V1861-I1865 PolarHBondContact O-N 2.96Å |
| 1862 | C | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.9 | -43.1 | 175.4 | -72.2 | 0 | 0 | 0 | 0 | 111.6 | F1840 V1858 V1859 E1860 I1865 V1866 L1895 L1904 | F1840-C1862 HydrophobicContact CD2-CB 4.34Å; F1840-C1862 HydrophobicContact CE2-CB 3.95Å; V1858-C1862 VanDerWaalsContact O-CB 3.31Å; V1858-C1862 WeakPolarHBondContact O-CB 3.39Å; V1858-C1862 PolarHBondContact O-N 3.3Å; V1858-C1862 VanDerWaalsContact O-N 3.1Å; V1858-C1862 PolarHBondContact O-SG 3.14Å; V1859-C1862 PolarHBondContact O-N 3.22Å; E1860-C1862 PolarHBondContact O-N 3.02Å; C1862-I1865 PolarHBondContact O-N 3.22Å; C1862-V1866 WeakPolarHBondContact O-CB 3.28Å; C1862-V1866 WeakPolarHBondContact O-CG2 3.21Å; C1862-V1866 PolarHBondContact O-N 3.18Å; C1862-L1895 HydrophobicContact CB-CD1 4.15Å; C1862-L1895 HydrophobicContact CB-CD2 4.44Å; C1862-L1904 HydrophobicContact CB-CD1 4.21Å; C1862-L1904 HydrophobicContact CB-CD2 4.36Å |
| 1863 | G | 95.1 | Very high | 91.2 | Very high | 5 Ų | 5 | 22.4 Ų | 22.4 | 5% | 0.052 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.6 | -46.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1859 E1860 V1861 I1865 V1866 S1867 L1904 | V1859-G1863 PolarHBondContact O-N 3.04Å; E1860-G1863 PolarHBondContact O-N 3.13Å; E1860-G1863 VanDerWaalsContact O-N 3.14Å; V1861-G1863 VanDerWaalsContact C-N 3.3Å; V1861-G1863 PolarHBondContact O-N 3.3Å; G1863-I1865 PolarHBondContact O-N 3.28Å; G1863-V1866 VanDerWaalsContact O-CG2 3.29Å; G1863-V1866 WeakPolarHBondContact O-CG2 3.29Å; G1863-V1866 PolarHBondContact O-N 3.19Å; G1863-S1867 WeakPolarHBondContact O-CB 3.33Å; G1863-S1867 PolarHBondContact O-N 3.37Å; G1863-S1867 VanDerWaalsContact O-N 3.1Å; G1863-S1867 PolarHBondContact O-OG 2.95Å; G1863-L1904 VanDerWaalsContact CA-CD1 3.45Å |
| 1864 | H | 95.3 | Very high | 91 | Very high | 33.75 Ų | 33.75 | 20.4 Ų | 20.4 | 16% | 0.156 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.8 | -45.1 | 175.8 | -63 | 145.2 | 0 | 0 | 0 | 111.8 | T1810 E1811 E1860 V1861 V1866 S1867 V1868 | T1810-H1864 PolarHBondContact OG1-ND1 3.25Å; E1811-H1864 PolarHBondContact N-ND1 3.21Å; E1860-H1864 VanDerWaalsContact O-CG 3.27Å; E1860-H1864 PolarHBondContact O-N 3.05Å; E1860-H1864 PolarHBondContact O-ND1 2.98Å; E1860-H1864 VanDerWaalsContact O-ND1 3.16Å; V1861-H1864 PolarHBondContact O-N 3.31Å; H1864-V1866 PolarHBondContact O-N 3.29Å; H1864-S1867 WeakPolarHBondContact O-CB 3.36Å; H1864-S1867 PolarHBondContact O-N 3.09Å; H1864-V1868 VanDerWaalsContact O-CG2 3.32Å; H1864-V1868 WeakPolarHBondContact O-CG2 3.37Å; H1864-V1868 PolarHBondContact O-N 3.03Å |
| 1865 | I | 96.4 | Very high | 91 | Very high | 0.25 Ų | 0.25 | 17.8 Ų | 17.8 | 0% | 0.001 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.7 | -46.8 | -179 | -67.2 | 168.8 | 0 | 0 | 0 | 111.2 | T1810 L1836 A1839 F1840 V1861 C1862 G1863 S1867 V1868 L1869 | T1810-I1865 HydrophobicContact CG2-CD1 4.48Å; T1810-I1865 HydrophobicContact CG2-CG1 4.22Å; L1836-I1865 HydrophobicContact CB-CG2 4.38Å; L1836-I1865 HydrophobicContact CD2-CG1 4.19Å; A1839-I1865 HydrophobicContact CB-CD1 3.95Å; F1840-I1865 HydrophobicContact CB-CD1 3.83Å; F1840-I1865 HydrophobicContact CB-CG2 4.03Å; F1840-I1865 HydrophobicContact CD1-CG2 4.26Å; F1840-I1865 HydrophobicContact CD2-CB 4.43Å; F1840-I1865 HydrophobicContact CD2-CD1 4.35Å; F1840-I1865 HydrophobicContact CD2-CG2 4.32Å; F1840-I1865 HydrophobicContact CG-CD1 4.4Å; F1840-I1865 HydrophobicContact CG-CG2 3.96Å; V1861-I1865 HydrophobicContact CG1-CD1 3.63Å; V1861-I1865 HydrophobicContact CG1-CG1 4.36Å; V1861-I1865 VanDerWaalsContact O-CG1 3.25Å; V1861-I1865 WeakPolarHBondContact O-CG1 3.28Å; V1861-I1865 PolarHBondContact O-N 2.96Å; C1862-I1865 PolarHBondContact O-N 3.22Å; G1863-I1865 PolarHBondContact O-N 3.28Å; I1865-S1867 VanDerWaalsContact C-N 3.29Å; I1865-S1867 PolarHBondContact O-N 3.3Å; I1865-V1868 WeakPolarHBondContact O-CA 3.4Å; I1865-V1868 WeakPolarHBondContact O-CB 3.42Å; I1865-V1868 PolarHBondContact O-N 3.17Å; I1865-V1868 VanDerWaalsContact O-N 3.12Å; I1865-L1869 HydrophobicContact CG2-CD1 4.03Å; I1865-L1869 HydrophobicContact CG2-CG 4.28Å; I1865-L1869 WeakPolarHBondContact O-CG 3.37Å; I1865-L1869 PolarHBondContact O-N 3.08Å |
| 1866 | V | 96 | Very high | 91.1 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.4 | -36.3 | 177.5 | -172.2 | 0 | 0 | 0 | 0 | 111.4 | F1840 C1862 G1863 H1864 L1869 A1870 T1892 L1895 L1907 C1911 | F1840-V1866 HydrophobicContact CE1-CG1 4.47Å; F1840-V1866 HydrophobicContact CE1-CG2 4.33Å; F1840-V1866 HydrophobicContact CE2-CG1 4.32Å; F1840-V1866 HydrophobicContact CE2-CG2 4.16Å; F1840-V1866 HydrophobicContact CZ-CG1 3.84Å; F1840-V1866 HydrophobicContact CZ-CG2 3.75Å; C1862-V1866 WeakPolarHBondContact O-CB 3.28Å; C1862-V1866 WeakPolarHBondContact O-CG2 3.21Å; C1862-V1866 PolarHBondContact O-N 3.18Å; G1863-V1866 VanDerWaalsContact O-CG2 3.29Å; G1863-V1866 WeakPolarHBondContact O-CG2 3.29Å; G1863-V1866 PolarHBondContact O-N 3.19Å; H1864-V1866 PolarHBondContact O-N 3.29Å; V1866-L1869 PolarHBondContact O-N 3.02Å; V1866-A1870 VanDerWaalsContact O-CB 3.28Å; V1866-A1870 WeakPolarHBondContact O-CB 3.46Å; V1866-A1870 PolarHBondContact O-N 3.26Å; V1866-T1892 HydrophobicContact CG1-CG2 4.15Å; V1866-T1892 HydrophobicContact CG2-CG2 4.43Å; V1866-L1895 HydrophobicContact CG1-CD1 3.64Å; V1866-L1895 HydrophobicContact CG2-CD1 3.54Å; V1866-L1895 VanDerWaalsContact CG2-CD1 3.44Å; V1866-L1907 HydrophobicContact CG1-CB 4.39Å; V1866-L1907 VanDerWaalsContact CG1-O 3.28Å; V1866-L1907 WeakPolarHBondContact CG1-O 3.25Å; V1866-L1907 HydrophobicContact CG2-CB 3.82Å; V1866-C1911 HydrophobicContact CB-CB 4.14Å; V1866-C1911 HydrophobicContact CG1-CB 3.36Å; V1866-C1911 PolarHBondContact O-SG 3.16Å; V1866-C1911 VanDerWaalsContact O-SG 3.38Å |
| 1867 | S | 94.1 | Very high | 90.9 | Very high | 7.25 Ų | 7.25 | 21.2 Ų | 21.2 | 5% | 0.051 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.1 | -37.2 | 174.6 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | Y1814 G1863 H1864 I1865 A1870 A1871 H2040 | Y1814-S1867 VanDerWaalsContact CD2-CB 3.4Å; Y1814-S1867 VanDerWaalsContact CE2-CB 3.44Å; G1863-S1867 WeakPolarHBondContact O-CB 3.33Å; G1863-S1867 PolarHBondContact O-N 3.37Å; G1863-S1867 VanDerWaalsContact O-N 3.1Å; G1863-S1867 PolarHBondContact O-OG 2.95Å; H1864-S1867 WeakPolarHBondContact O-CB 3.36Å; H1864-S1867 PolarHBondContact O-N 3.09Å; I1865-S1867 VanDerWaalsContact C-N 3.29Å; I1865-S1867 PolarHBondContact O-N 3.3Å; S1867-A1870 PolarHBondContact O-N 3.35Å; S1867-A1871 WeakPolarHBondContact O-CB 3.27Å; S1867-A1871 PolarHBondContact O-N 3.18Å; S1867-A1871 VanDerWaalsContact O-N 3.09Å; S1867-H2040 PolarHBondContact OG-CE1 3.4Å; S1867-H2040 PolarHBondContact OG-NE2 2.94Å |
| 1868 | V | 94.5 | Very high | 91 | Very high | 1.75 Ų | 1.75 | 20 Ų | 20 | 1% | 0.011 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.4 | -48.9 | 170.9 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | T1813 Y1814 V1817 L1827 L1836 H1864 I1865 A1870 A1871 A1872 | T1813-V1868 HydrophobicContact CG2-CG1 4.18Å; T1813-V1868 HydrophobicContact CG2-CG2 3.87Å; Y1814-V1868 VanDerWaalsContact CA-CG2 3.43Å; V1817-V1868 HydrophobicContact CG2-CG1 4.31Å; L1827-V1868 HydrophobicContact CD2-CG1 3.88Å; L1836-V1868 HydrophobicContact CD1-CB 4.41Å; L1836-V1868 HydrophobicContact CD1-CG1 3.69Å; H1864-V1868 VanDerWaalsContact O-CG2 3.32Å; H1864-V1868 WeakPolarHBondContact O-CG2 3.37Å; H1864-V1868 PolarHBondContact O-N 3.03Å; I1865-V1868 WeakPolarHBondContact O-CA 3.4Å; I1865-V1868 WeakPolarHBondContact O-CB 3.42Å; I1865-V1868 PolarHBondContact O-N 3.17Å; I1865-V1868 VanDerWaalsContact O-N 3.12Å; V1868-A1870 VanDerWaalsContact C-N 3.32Å; V1868-A1870 PolarHBondContact O-N 3.28Å; V1868-A1871 PolarHBondContact O-N 3.12Å; V1868-A1872 VanDerWaalsContact O-CB 3.23Å; V1868-A1872 WeakPolarHBondContact O-CB 3.36Å; V1868-A1872 PolarHBondContact O-N 2.98Å |
| 1869 | L | 93.7 | Very high | 91 | Very high | 1.25 Ų | 1.25 | 20.8 Ų | 20.8 | 1% | 0.007 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | -178.7 | -69.1 | 172.9 | 0 | 0 | 0 | 111.4 | F1840 I1865 V1866 A1871 A1872 S1873 I1882 L1888 F1915 | F1840-L1869 HydrophobicContact CE1-CD1 4.48Å; I1865-L1869 HydrophobicContact CG2-CD1 4.03Å; I1865-L1869 HydrophobicContact CG2-CG 4.28Å; I1865-L1869 WeakPolarHBondContact O-CG 3.37Å; I1865-L1869 PolarHBondContact O-N 3.08Å; V1866-L1869 PolarHBondContact O-N 3.02Å; L1869-A1871 PolarHBondContact O-N 3.1Å; L1869-A1872 PolarHBondContact O-N 3.31Å; L1869-S1873 VanDerWaalsContact O-CB 3.25Å; L1869-S1873 WeakPolarHBondContact O-CB 3.41Å; L1869-S1873 PolarHBondContact O-N 3.16Å; L1869-S1873 PolarHBondContact O-OG 3.42Å; L1869-I1882 HydrophobicContact CD2-CD1 4.12Å; L1869-I1882 HydrophobicContact CD2-CG1 4.17Å; L1869-L1888 HydrophobicContact CD1-CD2 4.04Å; L1869-L1888 HydrophobicContact CD2-CD1 4.08Å; L1869-L1888 HydrophobicContact CD2-CD2 4.37Å; L1869-F1915 HydrophobicContact CB-CE1 4.09Å; L1869-F1915 HydrophobicContact CB-CZ 3.96Å; L1869-F1915 HydrophobicContact CD1-CZ 4.35Å |
| 1870 | A | 91.2 | Very high | 90.8 | Very high | 1.25 Ų | 1.25 | 25.3 Ų | 25.3 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.3 | -48.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1866 S1867 V1868 A1872 S1873 T1910 C1911 L2039 | V1866-A1870 VanDerWaalsContact O-CB 3.28Å; V1866-A1870 WeakPolarHBondContact O-CB 3.46Å; V1866-A1870 PolarHBondContact O-N 3.26Å; S1867-A1870 PolarHBondContact O-N 3.35Å; V1868-A1870 VanDerWaalsContact C-N 3.32Å; V1868-A1870 PolarHBondContact O-N 3.28Å; A1870-A1872 PolarHBondContact O-N 2.9Å; A1870-S1873 PolarHBondContact O-N 2.97Å; A1870-S1873 PolarHBondContact O-OG 2.99Å; A1870-T1910 HydrophobicContact CB-CG2 4.3Å; A1870-C1911 HydrophobicContact CB-CB 3.84Å; A1870-L2039 VanDerWaalsContact C-CD2 3.48Å; A1870-L2039 HydrophobicContact CB-CD1 4.12Å; A1870-L2039 HydrophobicContact CB-CD2 3.22Å; A1870-L2039 HydrophobicContact CB-CG 4.18Å |
| 1871 | A | 88.8 | Confident | 90.6 | Very high | 9.75 Ų | 9.75 | 22.8 Ų | 22.8 | 8% | 0.081 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.6 | -40.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1817 S1867 V1868 L1869 S1873 L1874 F1875 L2039 | V1817-A1871 HydrophobicContact CG1-CB 3.79Å; S1867-A1871 WeakPolarHBondContact O-CB 3.27Å; S1867-A1871 PolarHBondContact O-N 3.18Å; S1867-A1871 VanDerWaalsContact O-N 3.09Å; V1868-A1871 PolarHBondContact O-N 3.12Å; L1869-A1871 PolarHBondContact O-N 3.1Å; A1871-S1873 VanDerWaalsContact C-N 3.34Å; A1871-S1873 PolarHBondContact O-N 3.4Å; A1871-L1874 WeakPolarHBondContact O-CB 3.38Å; A1871-L1874 WeakPolarHBondContact O-CG 3.33Å; A1871-L1874 PolarHBondContact O-N 3.02Å; A1871-F1875 WeakPolarHBondContact O-CE2 3.29Å; A1871-L2039 HydrophobicContact CB-CD2 4.09Å |
| 1872 | A | 89.3 | Confident | 90.4 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 2% | 0.017 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.9 | -33.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1817 V1868 L1869 A1870 L1874 F1875 S1878 | V1817-A1872 HydrophobicContact CG1-CB 4.39Å; V1868-A1872 VanDerWaalsContact O-CB 3.23Å; V1868-A1872 WeakPolarHBondContact O-CB 3.36Å; V1868-A1872 PolarHBondContact O-N 2.98Å; L1869-A1872 PolarHBondContact O-N 3.31Å; A1870-A1872 PolarHBondContact O-N 2.9Å; A1872-L1874 PolarHBondContact O-N 3.24Å; A1872-L1874 VanDerWaalsContact O-N 3.16Å; A1872-F1875 WeakPolarHBondContact O-CD2 3.37Å; A1872-F1875 PolarHBondContact O-N 3.32Å; A1872-S1878 WeakPolarHBondContact O-CB 3.34Å |
| 1873 | S | 88.6 | Confident | 90.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.8 | -14.3 | 180 | 73.1 | 0 | 0 | 0 | 0 | 113.6 | L1869 A1870 A1871 F1875 R1879 S1914 | L1869-S1873 VanDerWaalsContact O-CB 3.25Å; L1869-S1873 WeakPolarHBondContact O-CB 3.41Å; L1869-S1873 PolarHBondContact O-N 3.16Å; L1869-S1873 PolarHBondContact O-OG 3.42Å; A1870-S1873 PolarHBondContact O-N 2.97Å; A1870-S1873 PolarHBondContact O-OG 2.99Å; A1871-S1873 VanDerWaalsContact C-N 3.34Å; A1871-S1873 PolarHBondContact O-N 3.4Å; S1873-F1875 PolarHBondContact O-N 3.15Å; S1873-F1875 VanDerWaalsContact O-N 3.14Å; S1873-R1879 WeakPolarHBondContact O-CD 3.26Å; S1873-R1879 WeakPolarHBondContact O-CG 3.28Å; S1873-R1879 PolarHBondContact O-NH1 3.16Å; S1873-S1914 WeakPolarHBondContact CB-O 3.47Å; S1873-S1914 VanDerWaalsContact OG-C 3.22Å; S1873-S1914 VanDerWaalsContact OG-CB 3.26Å; S1873-S1914 WeakPolarHBondContact OG-CB 3.31Å; S1873-S1914 PolarHBondContact OG-O 3.02Å |
| 1874 | L | 83.8 | Confident | 89.8 | Confident | 73 Ų | 73 | 32 Ų | 32 | 38% | 0.382 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.1 | 171 | -58.2 | 178.6 | 0 | 0 | 0 | 112.1 | A1871 A1872 R1879 I1917 I2026 | A1871-L1874 WeakPolarHBondContact O-CB 3.38Å; A1871-L1874 WeakPolarHBondContact O-CG 3.33Å; A1871-L1874 PolarHBondContact O-N 3.02Å; A1872-L1874 PolarHBondContact O-N 3.24Å; A1872-L1874 VanDerWaalsContact O-N 3.16Å; L1874-R1879 VanDerWaalsContact C-NH1 3.3Å; L1874-R1879 PolarHBondContact O-NH1 3.13Å; L1874-R1879 VanDerWaalsContact O-NH1 3.13Å; L1874-I1917 HydrophobicContact CD2-CD1 3.9Å; L1874-I2026 HydrophobicContact CD2-CG2 3.7Å |
| 1875 | F | 83.9 | Confident | 89.5 | Confident | 41.75 Ų | 41.75 | 31.8 Ų | 31.8 | 18% | 0.183 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -106.9 | 130.5 | -177.5 | -71.3 | -71.9 | 0 | 0 | 0 | 113.8 | V1821 A1824 E1825 A1871 A1872 S1873 S1877 S1878 R1879 | V1821-F1875 HydrophobicContact CB-CD1 4.41Å; V1821-F1875 HydrophobicContact CB-CE1 3.61Å; V1821-F1875 HydrophobicContact CB-CZ 3.73Å; V1821-F1875 HydrophobicContact CG1-CD1 3.59Å; V1821-F1875 VanDerWaalsContact CG1-CD1 3.49Å; V1821-F1875 HydrophobicContact CG1-CD2 3.33Å; V1821-F1875 HydrophobicContact CG1-CE1 3.17Å; V1821-F1875 HydrophobicContact CG1-CE2 3.96Å; V1821-F1875 HydrophobicContact CG1-CG 4.35Å; V1821-F1875 HydrophobicContact CG1-CZ 3.74Å; V1821-F1875 HydrophobicContact CG2-CD1 4.44Å; V1821-F1875 HydrophobicContact CG2-CE1 3.44Å; V1821-F1875 HydrophobicContact CG2-CZ 3.55Å; A1824-F1875 HydrophobicContact CB-CD2 3.38Å; A1824-F1875 VanDerWaalsContact CB-CD2 3.44Å; A1824-F1875 HydrophobicContact CB-CE2 3.44Å; A1824-F1875 VanDerWaalsContact CB-CE2 3.47Å; A1824-F1875 HydrophobicContact CB-CG 4.34Å; A1824-F1875 HydrophobicContact CB-CZ 4.43Å; E1825-F1875 HydrophobicContact CG-CE1 4.44Å; A1871-F1875 WeakPolarHBondContact O-CE2 3.29Å; A1872-F1875 WeakPolarHBondContact O-CD2 3.37Å; A1872-F1875 PolarHBondContact O-N 3.32Å; S1873-F1875 PolarHBondContact O-N 3.15Å; S1873-F1875 VanDerWaalsContact O-N 3.14Å; F1875-S1877 WeakPolarHBondContact CE1-OG 3.47Å; F1875-S1877 PolarHBondContact O-N 3.06Å; F1875-S1878 WeakPolarHBondContact O-CB 3.13Å; F1875-S1878 PolarHBondContact O-N 3.16Å; F1875-S1878 VanDerWaalsContact O-N 3.12Å; F1875-R1879 VanDerWaalsContact C-NH1 3.32Å; F1875-R1879 WeakPolarHBondContact O-CG 3.36Å; F1875-R1879 PolarHBondContact O-N 3.03Å |
| 1876 | P | 84.5 | Confident | 88.9 | Confident | 83.75 Ų | 83.75 | 34.5 Ų | 34.5 | 54% | 0.544 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -53.7 | -51.2 | -175.4 | -25.7 | 31.3 | 0 | 0 | 0 | 115.1 | S1878 R1879 Q1880 | P1876-S1878 VanDerWaalsContact C-N 3.27Å; P1876-S1878 PolarHBondContact O-N 3.02Å; P1876-R1879 WeakPolarHBondContact O-CB 3.26Å; P1876-R1879 PolarHBondContact O-N 3.15Å; P1876-R1879 VanDerWaalsContact O-N 3.15Å; P1876-Q1880 PolarHBondContact O-N 3.01Å; P1876-Q1880 VanDerWaalsContact O-N 3.12Å |
| 1877 | S | 85.3 | Confident | 88.6 | Confident | 54.25 Ų | 54.25 | 38.2 Ų | 38.2 | 38% | 0.379 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -70.6 | -21.5 | -178.1 | -39.9 | 0 | 0 | 0 | 0 | 113.5 | R1828 F1875 C1881 | R1828-S1877 WeakPolarHBondContact CD-O 3.28Å; R1828-S1877 VanDerWaalsContact CZ-CB 3.44Å; R1828-S1877 VanDerWaalsContact NE-C 3.31Å; R1828-S1877 PolarHBondContact NE-O 3.12Å; R1828-S1877 VanDerWaalsContact NE-O 3.1Å; R1828-S1877 PolarHBondContact NH1-OG 3.17Å; R1828-S1877 PolarHBondContact NH2-OG 2.78Å; F1875-S1877 WeakPolarHBondContact CE1-OG 3.47Å; F1875-S1877 PolarHBondContact O-N 3.06Å; S1877-C1881 PolarHBondContact O-N 2.99Å |
| 1878 | S | 87.5 | Confident | 88.6 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -77.8 | -37.3 | 172.1 | -61.4 | 0 | 0 | 0 | 0 | 110.9 | R1828 A1872 F1875 P1876 Q1880 C1881 I1882 | R1828-S1878 PolarHBondContact NE-OG 2.8Å; R1828-S1878 PolarHBondContact NH1-OG 3.33Å; R1828-S1878 VanDerWaalsContact NH1-OG 3.14Å; R1828-S1878 VanDerWaalsContact NH2-N 3.18Å; R1828-S1878 PolarHBondContact NH2-OG 2.84Å; A1872-S1878 WeakPolarHBondContact O-CB 3.34Å; F1875-S1878 WeakPolarHBondContact O-CB 3.13Å; F1875-S1878 PolarHBondContact O-N 3.16Å; F1875-S1878 VanDerWaalsContact O-N 3.12Å; P1876-S1878 VanDerWaalsContact C-N 3.27Å; P1876-S1878 PolarHBondContact O-N 3.02Å; S1878-Q1880 VanDerWaalsContact C-N 3.34Å; S1878-Q1880 PolarHBondContact O-N 3.16Å; S1878-C1881 PolarHBondContact O-N 3.1Å; S1878-I1882 VanDerWaalsContact O-CG1 3.28Å; S1878-I1882 WeakPolarHBondContact O-CG1 3.37Å; S1878-I1882 PolarHBondContact O-N 3.01Å |
| 1879 | R | 88.5 | Confident | 88.4 | Confident | 33.75 Ų | 33.75 | 37.8 Ų | 37.8 | 13% | 0.127 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 171.5 | -68.1 | -166.6 | -65.8 | -85.8 | 6.7 | 112.4 | S1873 L1874 F1875 P1876 C1881 I1882 Q1883 D1918 L1921 | S1873-R1879 WeakPolarHBondContact O-CD 3.26Å; S1873-R1879 WeakPolarHBondContact O-CG 3.28Å; S1873-R1879 PolarHBondContact O-NH1 3.16Å; L1874-R1879 VanDerWaalsContact C-NH1 3.3Å; L1874-R1879 PolarHBondContact O-NH1 3.13Å; L1874-R1879 VanDerWaalsContact O-NH1 3.13Å; F1875-R1879 VanDerWaalsContact C-NH1 3.32Å; F1875-R1879 WeakPolarHBondContact O-CG 3.36Å; F1875-R1879 PolarHBondContact O-N 3.03Å; P1876-R1879 WeakPolarHBondContact O-CB 3.26Å; P1876-R1879 PolarHBondContact O-N 3.15Å; P1876-R1879 VanDerWaalsContact O-N 3.15Å; R1879-C1881 VanDerWaalsContact C-N 3.32Å; R1879-C1881 PolarHBondContact O-N 2.89Å; R1879-I1882 PolarHBondContact O-N 3.36Å; R1879-I1882 VanDerWaalsContact O-N 3.15Å; R1879-Q1883 WeakPolarHBondContact O-CB 3.31Å; R1879-Q1883 PolarHBondContact O-N 2.99Å; R1879-D1918 VanDerWaalsContact CD-CB 3.45Å; R1879-D1918 IonicContact CZ-OD2 2.98Å; R1879-D1918 IonicContact NE-OD2 3.57Å; R1879-D1918 PolarHBondContact NE-OD2 3.18Å; R1879-D1918 VanDerWaalsContact NE-OD2 3.11Å; R1879-L1921 HydrophobicContact CB-CD1 3.92Å; R1879-L1921 HydrophobicContact CG-CD1 3.94Å |
| 1880 | Q | 87.9 | Confident | 88.3 | Confident | 107.5 Ų | 107.5 | 41.6 Ų | 41.6 | 50% | 0.502 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -56.7 | -46.6 | 175.2 | -174.4 | -175.4 | -13.5 | 0 | 0 | 111.5 | P1876 S1878 I1882 Q1883 E1884 | P1876-Q1880 PolarHBondContact O-N 3.01Å; P1876-Q1880 VanDerWaalsContact O-N 3.12Å; S1878-Q1880 VanDerWaalsContact C-N 3.34Å; S1878-Q1880 PolarHBondContact O-N 3.16Å; Q1880-I1882 VanDerWaalsContact C-N 3.33Å; Q1880-I1882 PolarHBondContact O-N 3.16Å; Q1880-Q1883 WeakPolarHBondContact O-CB 3.32Å; Q1880-Q1883 PolarHBondContact O-N 3.05Å; Q1880-E1884 WeakPolarHBondContact CG-OE1 3.38Å; Q1880-E1884 PolarHBondContact NE2-OE1 3.11Å; Q1880-E1884 WeakPolarHBondContact O-CB 3.43Å; Q1880-E1884 VanDerWaalsContact O-CG 3.32Å; Q1880-E1884 WeakPolarHBondContact O-CG 3.36Å; Q1880-E1884 PolarHBondContact O-N 3.28Å |
| 1881 | C | 88.1 | Confident | 88.4 | Confident | 21.5 Ų | 21.5 | 41.8 Ų | 41.8 | 15% | 0.145 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -37.7 | 177.8 | -175.4 | 0 | 0 | 0 | 0 | 112.8 | R1828 I1833 S1877 S1878 R1879 E1884 T1885 | R1828-C1881 HydrophobicContact CG-CB 4.44Å; I1833-C1881 HydrophobicContact CD1-CB 4.16Å; S1877-C1881 PolarHBondContact O-N 2.99Å; S1878-C1881 PolarHBondContact O-N 3.1Å; R1879-C1881 VanDerWaalsContact C-N 3.32Å; R1879-C1881 PolarHBondContact O-N 2.89Å; C1881-E1884 PolarHBondContact O-N 2.99Å; C1881-T1885 PolarHBondContact O-N 3.13Å; C1881-T1885 PolarHBondContact O-OG1 3.19Å; C1881-T1885 VanDerWaalsContact O-OG1 3.08Å |
| 1882 | I | 90.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.6 | -42.6 | 174.6 | -66.9 | 166.4 | 0 | 0 | 0 | 110.4 | I1833 L1869 S1878 R1879 Q1880 E1884 T1885 L1888 L1889 F1915 L1921 | I1833-I1882 HydrophobicContact CG2-CG1 4.44Å; L1869-I1882 HydrophobicContact CD2-CD1 4.12Å; L1869-I1882 HydrophobicContact CD2-CG1 4.17Å; S1878-I1882 VanDerWaalsContact O-CG1 3.28Å; S1878-I1882 WeakPolarHBondContact O-CG1 3.37Å; S1878-I1882 PolarHBondContact O-N 3.01Å; R1879-I1882 PolarHBondContact O-N 3.36Å; R1879-I1882 VanDerWaalsContact O-N 3.15Å; Q1880-I1882 VanDerWaalsContact C-N 3.33Å; Q1880-I1882 PolarHBondContact O-N 3.16Å; I1882-E1884 PolarHBondContact O-N 3.23Å; I1882-T1885 CarbonylContact O-C 3.54Å; I1882-T1885 VanDerWaalsContact O-C 3.27Å; I1882-T1885 WeakPolarHBondContact O-CA 3.47Å; I1882-T1885 PolarHBondContact O-N 2.84Å; I1882-L1888 HydrophobicContact CG1-CD1 4.39Å; I1882-L1888 HydrophobicContact CG2-CD1 4.38Å; I1882-L1889 HydrophobicContact CG2-CD1 3.53Å; I1882-L1889 VanDerWaalsContact CG2-CD1 3.44Å; I1882-F1915 HydrophobicContact CD1-CE1 4.09Å; I1882-F1915 HydrophobicContact CG2-CE1 4.13Å; I1882-F1915 HydrophobicContact CG2-CZ 4.1Å; I1882-L1921 HydrophobicContact CB-CD2 4.48Å; I1882-L1921 HydrophobicContact CG2-CD2 4.01Å |
| 1883 | Q | 88.1 | Confident | 89 | Confident | 68.5 Ų | 68.5 | 41.4 Ų | 41.4 | 32% | 0.32 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.5 | -40.6 | 177.2 | -176.2 | -172.7 | -8.2 | 0 | 0 | 111.9 | R1879 Q1880 T1885 W1920 L1921 | R1879-Q1883 WeakPolarHBondContact O-CB 3.31Å; R1879-Q1883 PolarHBondContact O-N 2.99Å; Q1880-Q1883 WeakPolarHBondContact O-CB 3.32Å; Q1880-Q1883 PolarHBondContact O-N 3.05Å; Q1883-T1885 PolarHBondContact O-N 3.23Å; Q1883-T1885 VanDerWaalsContact O-N 3.11Å; Q1883-W1920 VanDerWaalsContact CD-CB 3.45Å; Q1883-W1920 HydrophobicContact CG-CB 4.3Å; Q1883-W1920 VanDerWaalsContact NE2-CG 3.29Å; Q1883-L1921 HydrophobicContact CB-CD2 3.87Å; Q1883-L1921 HydrophobicContact CG-CD2 4.48Å |
| 1884 | E | 89.4 | Confident | 89.2 | Confident | 130.75 Ų | 130.75 | 44.2 Ų | 44.2 | 61% | 0.611 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -9.9 | 173.8 | -72.4 | 169.2 | -172 | 0 | 0 | 112.8 | Q1880 C1881 I1882 P1886 | Q1880-E1884 WeakPolarHBondContact CG-OE1 3.38Å; Q1880-E1884 PolarHBondContact NE2-OE1 3.11Å; Q1880-E1884 WeakPolarHBondContact O-CB 3.43Å; Q1880-E1884 VanDerWaalsContact O-CG 3.32Å; Q1880-E1884 WeakPolarHBondContact O-CG 3.36Å; Q1880-E1884 PolarHBondContact O-N 3.28Å; C1881-E1884 PolarHBondContact O-N 2.99Å; I1882-E1884 PolarHBondContact O-N 3.23Å; E1884-P1886 VanDerWaalsContact C-CD 3.49Å; E1884-P1886 WeakPolarHBondContact O-CD 3.35Å |
| 1885 | T | 88.7 | Confident | 89.8 | Confident | 29 Ų | 29 | 40.7 Ų | 40.7 | 18% | 0.178 | 21% | 0.207 | C | C | . | . | trans | -123.2 | 72.5 | 179.4 | -45.1 | 0 | 0 | 0 | 0 | 111.7 | Q1837 C1881 I1882 Q1883 Q1887 L1888 | Q1837-T1885 HydrophobicContact CB-CG2 4.32Å; Q1837-T1885 HydrophobicContact CG-CG2 3.76Å; C1881-T1885 PolarHBondContact O-N 3.13Å; C1881-T1885 PolarHBondContact O-OG1 3.19Å; C1881-T1885 VanDerWaalsContact O-OG1 3.08Å; I1882-T1885 CarbonylContact O-C 3.54Å; I1882-T1885 VanDerWaalsContact O-C 3.27Å; I1882-T1885 WeakPolarHBondContact O-CA 3.47Å; I1882-T1885 PolarHBondContact O-N 2.84Å; Q1883-T1885 PolarHBondContact O-N 3.23Å; Q1883-T1885 VanDerWaalsContact O-N 3.11Å; T1885-Q1887 PolarHBondContact O-N 3.2Å; T1885-L1888 HydrophobicContact CG2-CD1 4.11Å; T1885-L1888 HydrophobicContact CG2-CG 3.97Å; T1885-L1888 WeakPolarHBondContact O-CB 3.47Å; T1885-L1888 PolarHBondContact O-N 2.97Å | ||
| 1886 | P | 85.3 | Confident | 90.3 | Very high | 57.75 Ų | 57.75 | 38.7 Ų | 38.7 | 38% | 0.375 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.2 | -25.1 | -174 | -13.6 | 18 | 0 | 0 | 0 | 114.7 | E1884 L1888 L1889 K1890 Y1928 | E1884-P1886 VanDerWaalsContact C-CD 3.49Å; E1884-P1886 WeakPolarHBondContact O-CD 3.35Å; P1886-L1888 PolarHBondContact O-N 3.15Å; P1886-L1889 PolarHBondContact O-N 3.02Å; P1886-L1889 VanDerWaalsContact O-N 3.11Å; P1886-K1890 PolarHBondContact O-N 3.39Å; P1886-K1890 VanDerWaalsContact O-N 3.15Å; P1886-Y1928 HydrophobicContact CB-CE2 4.24Å |
| 1887 | Q | 89.7 | Confident | 90.7 | Very high | 77.25 Ų | 77.25 | 36.3 Ų | 36.3 | 36% | 0.361 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.4 | -32.1 | 176.3 | -170.5 | 59.1 | 34 | 0 | 0 | 112.5 | T1885 L1889 K1890 D1891 | T1885-Q1887 PolarHBondContact O-N 3.2Å; Q1887-L1889 VanDerWaalsContact C-N 3.3Å; Q1887-L1889 PolarHBondContact O-N 3.09Å; Q1887-K1890 PolarHBondContact O-N 3.21Å; Q1887-D1891 VanDerWaalsContact NE2-CG 3.32Å; Q1887-D1891 PolarHBondContact NE2-OD1 3.34Å; Q1887-D1891 PolarHBondContact NE2-OD2 3.19Å; Q1887-D1891 VanDerWaalsContact NE2-OD2 3.14Å; Q1887-D1891 WeakPolarHBondContact O-CB 3.31Å; Q1887-D1891 PolarHBondContact O-N 2.98Å |
| 1888 | L | 92.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.5 | -42.1 | 175.1 | -78.1 | 174.9 | 0 | 0 | 0 | 111.8 | I1833 Q1837 F1840 L1869 I1882 T1885 P1886 T1892 | I1833-L1888 HydrophobicContact CG2-CD1 3.82Å; Q1837-L1888 HydrophobicContact CB-CD1 4.41Å; Q1837-L1888 HydrophobicContact CB-CD2 3.52Å; Q1837-L1888 HydrophobicContact CB-CG 3.89Å; Q1837-L1888 HydrophobicContact CG-CD2 3.73Å; Q1837-L1888 HydrophobicContact CG-CG 3.82Å; F1840-L1888 HydrophobicContact CD1-CD2 4.14Å; L1869-L1888 HydrophobicContact CD1-CD2 4.04Å; L1869-L1888 HydrophobicContact CD2-CD1 4.08Å; L1869-L1888 HydrophobicContact CD2-CD2 4.37Å; I1882-L1888 HydrophobicContact CG1-CD1 4.39Å; I1882-L1888 HydrophobicContact CG2-CD1 4.38Å; T1885-L1888 HydrophobicContact CG2-CD1 4.11Å; T1885-L1888 HydrophobicContact CG2-CG 3.97Å; T1885-L1888 WeakPolarHBondContact O-CB 3.47Å; T1885-L1888 PolarHBondContact O-N 2.97Å; P1886-L1888 PolarHBondContact O-N 3.15Å; L1888-T1892 VanDerWaalsContact O-CB 3.26Å; L1888-T1892 WeakPolarHBondContact O-CB 3.29Å; L1888-T1892 PolarHBondContact O-N 3.06Å; L1888-T1892 PolarHBondContact O-OG1 3.22Å |
| 1889 | L | 91.8 | Very high | 91.3 | Very high | 1.5 Ų | 1.5 | 39.4 Ų | 39.4 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.9 | -41.6 | 179.4 | -85.9 | 70.1 | 0 | 0 | 0 | 111 | I1882 P1886 Q1887 D1891 T1892 L1893 F1915 L1921 T1924 Y1928 | I1882-L1889 HydrophobicContact CG2-CD1 3.53Å; I1882-L1889 VanDerWaalsContact CG2-CD1 3.44Å; P1886-L1889 PolarHBondContact O-N 3.02Å; P1886-L1889 VanDerWaalsContact O-N 3.11Å; Q1887-L1889 VanDerWaalsContact C-N 3.3Å; Q1887-L1889 PolarHBondContact O-N 3.09Å; L1889-D1891 PolarHBondContact O-N 3.26Å; L1889-T1892 PolarHBondContact O-N 3.32Å; L1889-L1893 WeakPolarHBondContact O-CB 3.39Å; L1889-L1893 WeakPolarHBondContact O-CG 3.4Å; L1889-L1893 PolarHBondContact O-N 3.01Å; L1889-F1915 HydrophobicContact CD1-CD2 4.23Å; L1889-F1915 HydrophobicContact CD1-CE2 3.98Å; L1889-F1915 HydrophobicContact CD1-CZ 4.42Å; L1889-F1915 HydrophobicContact CD2-CD2 4.47Å; L1889-F1915 HydrophobicContact CG-CD2 4.02Å; L1889-F1915 HydrophobicContact CG-CE2 3.96Å; L1889-L1921 HydrophobicContact CD1-CD2 4.1Å; L1889-L1921 HydrophobicContact CD2-CD2 4.1Å; L1889-T1924 HydrophobicContact CB-CG2 4.37Å; L1889-T1924 HydrophobicContact CD2-CG2 3.52Å; L1889-T1924 VanDerWaalsContact CD2-CG2 3.5Å; L1889-Y1928 HydrophobicContact CB-CD2 4.27Å; L1889-Y1928 HydrophobicContact CB-CE2 4.48Å |
| 1890 | K | 91.4 | Very high | 91.4 | Very high | 80.75 Ų | 80.75 | 40.3 Ų | 40.3 | 35% | 0.351 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.9 | -48.9 | 175.2 | -66.9 | -172.2 | 179.2 | -171.5 | 0 | 111.6 | P1886 Q1887 T1892 L1893 R1894 Y1928 | P1886-K1890 PolarHBondContact O-N 3.39Å; P1886-K1890 VanDerWaalsContact O-N 3.15Å; Q1887-K1890 PolarHBondContact O-N 3.21Å; K1890-T1892 VanDerWaalsContact C-N 3.34Å; K1890-T1892 PolarHBondContact O-N 2.92Å; K1890-L1893 PolarHBondContact O-N 3.03Å; K1890-R1894 VanDerWaalsContact O-CB 3.3Å; K1890-R1894 WeakPolarHBondContact O-CB 3.34Å; K1890-R1894 PolarHBondContact O-N 2.96Å; K1890-Y1928 HydrophobicContact CD-CD2 4.46Å; K1890-Y1928 HydrophobicContact CD-CE2 4.1Å; K1890-Y1928 VanDerWaalsContact CE-CE1 3.45Å; K1890-Y1928 VanDerWaalsContact CE-CE2 3.45Å; K1890-Y1928 WeakPolarHBondContact CE-OH 3.34Å; K1890-Y1928 HydrophobicContact CG-CD2 3.48Å; K1890-Y1928 VanDerWaalsContact CG-CD2 3.47Å; K1890-Y1928 HydrophobicContact CG-CE2 3.42Å; K1890-Y1928 VanDerWaalsContact CG-CE2 3.41Å; K1890-Y1928 HydrophobicContact CG-CG 4.17Å |
| 1891 | D | 93.5 | Very high | 91.7 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.2 | -36.3 | 179.6 | -70.9 | -26.1 | 0 | 0 | 0 | 111.6 | F1840 S1841 Q1887 L1889 R1894 L1895 | F1840-D1891 HydrophobicContact CD1-CB 3.63Å; F1840-D1891 HydrophobicContact CE1-CB 3.41Å; F1840-D1891 VanDerWaalsContact CE1-CB 3.49Å; F1840-D1891 HydrophobicContact CG-CB 4.36Å; F1840-D1891 HydrophobicContact CZ-CB 3.95Å; F1840-D1891 WeakPolarHBondContact CZ-O 3.48Å; S1841-D1891 WeakPolarHBondContact CA-OD2 3.43Å; S1841-D1891 WeakPolarHBondContact CB-OD2 3.35Å; S1841-D1891 PolarHBondContact OG-OD2 3.11Å; Q1887-D1891 VanDerWaalsContact NE2-CG 3.32Å; Q1887-D1891 PolarHBondContact NE2-OD1 3.34Å; Q1887-D1891 PolarHBondContact NE2-OD2 3.19Å; Q1887-D1891 VanDerWaalsContact NE2-OD2 3.14Å; Q1887-D1891 WeakPolarHBondContact O-CB 3.31Å; Q1887-D1891 PolarHBondContact O-N 2.98Å; L1889-D1891 PolarHBondContact O-N 3.26Å; D1891-R1894 PolarHBondContact O-N 2.94Å; D1891-R1894 IonicContact OD1-CZ 3.29Å; D1891-R1894 IonicContact OD1-NE 3.29Å; D1891-R1894 IonicContact OD1-NH2 3.41Å; D1891-R1894 PolarHBondContact OD1-NH2 3.1Å; D1891-L1895 WeakPolarHBondContact O-CG 3.24Å; D1891-L1895 PolarHBondContact O-N 3.26Å |
| 1892 | T | 95.4 | Very high | 91.9 | Very high | 0.5 Ų | 0.5 | 36 Ų | 36 | 0% | 0.003 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.4 | -54.4 | 175.1 | -60.1 | 0 | 0 | 0 | 0 | 110.4 | V1866 L1888 L1889 K1890 R1894 L1895 T1908 C1911 V1912 F1915 | V1866-T1892 HydrophobicContact CG1-CG2 4.15Å; V1866-T1892 HydrophobicContact CG2-CG2 4.43Å; L1888-T1892 VanDerWaalsContact O-CB 3.26Å; L1888-T1892 WeakPolarHBondContact O-CB 3.29Å; L1888-T1892 PolarHBondContact O-N 3.06Å; L1888-T1892 PolarHBondContact O-OG1 3.22Å; L1889-T1892 PolarHBondContact O-N 3.32Å; K1890-T1892 VanDerWaalsContact C-N 3.34Å; K1890-T1892 PolarHBondContact O-N 2.92Å; T1892-R1894 VanDerWaalsContact C-N 3.29Å; T1892-R1894 PolarHBondContact O-N 3.08Å; T1892-L1895 WeakPolarHBondContact O-CB 3.4Å; T1892-L1895 PolarHBondContact O-N 3.15Å; T1892-T1908 HydrophobicContact CG2-CG2 3.84Å; T1892-T1908 WeakPolarHBondContact O-CG2 3.39Å; T1892-C1911 HydrophobicContact CG2-CB 4.36Å; T1892-V1912 HydrophobicContact CG2-CG2 4.3Å; T1892-F1915 HydrophobicContact CG2-CE2 4.15Å |
| 1893 | L | 94.7 | Very high | 92 | Very high | 3.5 Ų | 3.5 | 41.1 Ų | 41.1 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.8 | -37.8 | -179.7 | -69.8 | 175.5 | 0 | 0 | 0 | 112 | L1889 K1890 L1895 L1896 V1912 L1933 | L1889-L1893 WeakPolarHBondContact O-CB 3.39Å; L1889-L1893 WeakPolarHBondContact O-CG 3.4Å; L1889-L1893 PolarHBondContact O-N 3.01Å; K1890-L1893 PolarHBondContact O-N 3.03Å; L1893-L1895 PolarHBondContact O-N 3.29Å; L1893-L1895 VanDerWaalsContact O-N 3.11Å; L1893-L1896 HydrophobicContact CD2-CD1 4.37Å; L1893-L1896 WeakPolarHBondContact O-CB 3.3Å; L1893-L1896 PolarHBondContact O-N 3.27Å; L1893-V1912 HydrophobicContact CD2-CG1 4.44Å; L1893-V1912 HydrophobicContact CD2-CG2 3.69Å; L1893-L1933 HydrophobicContact CB-CD1 3.89Å; L1893-L1933 WeakPolarHBondContact O-CD1 3.38Å |
| 1894 | R | 93.1 | Very high | 92.3 | Very high | 58.75 Ų | 58.75 | 38.2 Ų | 38.2 | 22% | 0.222 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.8 | -28.6 | 175.1 | -175.4 | 170 | 68.7 | 162.9 | -2.7 | 112.5 | S1844 N1845 K1890 D1891 T1892 L1896 Y1897 Y1898 I2090 | S1844-R1894 VanDerWaalsContact C-NH2 3.31Å; S1844-R1894 VanDerWaalsContact CB-NH2 3.25Å; S1844-R1894 PolarHBondContact O-NH2 3.08Å; S1844-R1894 PolarHBondContact OG-NH2 3.42Å; N1845-R1894 PolarHBondContact OD1-NH1 3.28Å; N1845-R1894 VanDerWaalsContact OD1-NH1 3.08Å; N1845-R1894 PolarHBondContact OD1-NH2 3.1Å; K1890-R1894 VanDerWaalsContact O-CB 3.3Å; K1890-R1894 WeakPolarHBondContact O-CB 3.34Å; K1890-R1894 PolarHBondContact O-N 2.96Å; D1891-R1894 PolarHBondContact O-N 2.94Å; D1891-R1894 IonicContact OD1-CZ 3.29Å; D1891-R1894 IonicContact OD1-NE 3.29Å; D1891-R1894 IonicContact OD1-NH2 3.41Å; D1891-R1894 PolarHBondContact OD1-NH2 3.1Å; T1892-R1894 VanDerWaalsContact C-N 3.29Å; T1892-R1894 PolarHBondContact O-N 3.08Å; R1894-L1896 VanDerWaalsContact C-N 3.26Å; R1894-L1896 PolarHBondContact O-N 3.09Å; R1894-Y1897 WeakPolarHBondContact O-CB 3.47Å; R1894-Y1897 PolarHBondContact O-N 2.94Å; R1894-Y1897 VanDerWaalsContact O-N 3.12Å; R1894-Y1898 HydrophobicContact CG-CE2 4.23Å; R1894-I2090 HydrophobicContact CG-CD1 4.19Å |
| 1895 | L | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.3 | -29.7 | 177.6 | -59.1 | -170 | 0 | 0 | 0 | 113.5 | F1840 L1847 C1862 V1866 D1891 T1892 L1893 Y1897 Y1898 L1904 C1905 T1908 | F1840-L1895 HydrophobicContact CE2-CD1 3.82Å; F1840-L1895 HydrophobicContact CE2-CD2 4.19Å; F1840-L1895 HydrophobicContact CE2-CG 4.2Å; F1840-L1895 HydrophobicContact CZ-CD1 3.77Å; F1840-L1895 HydrophobicContact CZ-CD2 4.39Å; F1840-L1895 HydrophobicContact CZ-CG 4Å; L1847-L1895 HydrophobicContact CD1-CD2 3.44Å; L1847-L1895 VanDerWaalsContact CD1-CD2 3.45Å; C1862-L1895 HydrophobicContact CB-CD1 4.15Å; C1862-L1895 HydrophobicContact CB-CD2 4.44Å; V1866-L1895 HydrophobicContact CG1-CD1 3.64Å; V1866-L1895 HydrophobicContact CG2-CD1 3.54Å; V1866-L1895 VanDerWaalsContact CG2-CD1 3.44Å; D1891-L1895 WeakPolarHBondContact O-CG 3.24Å; D1891-L1895 PolarHBondContact O-N 3.26Å; T1892-L1895 WeakPolarHBondContact O-CB 3.4Å; T1892-L1895 PolarHBondContact O-N 3.15Å; L1893-L1895 PolarHBondContact O-N 3.29Å; L1893-L1895 VanDerWaalsContact O-N 3.11Å; L1895-Y1897 PolarHBondContact O-N 3.14Å; L1895-Y1897 VanDerWaalsContact O-N 3.15Å; L1895-Y1898 HydrophobicContact CD2-CD2 4.49Å; L1895-Y1898 HydrophobicContact CD2-CE2 4.45Å; L1895-Y1898 PolarHBondContact O-N 3.05Å; L1895-L1904 HydrophobicContact CB-CG 4.48Å; L1895-L1904 HydrophobicContact CD1-CD1 3.94Å; L1895-L1904 HydrophobicContact CD1-CD2 4.14Å; L1895-L1904 HydrophobicContact CD1-CG 4.02Å; L1895-L1904 HydrophobicContact CD2-CD2 4.25Å; L1895-C1905 PolarHBondContact O-SG 3.14Å; L1895-T1908 HydrophobicContact CB-CG2 4Å; L1895-T1908 WeakPolarHBondContact CB-OG1 3.43Å |
| 1896 | L | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -17.1 | 176.2 | -67.1 | 171.9 | 0 | 0 | 0 | 112.6 | L1893 R1894 C1905 T1908 A1909 L1933 L1934 H1937 | L1893-L1896 HydrophobicContact CD2-CD1 4.37Å; L1893-L1896 WeakPolarHBondContact O-CB 3.3Å; L1893-L1896 PolarHBondContact O-N 3.27Å; R1894-L1896 VanDerWaalsContact C-N 3.26Å; R1894-L1896 PolarHBondContact O-N 3.09Å; L1896-C1905 HydrophobicContact CD2-CB 4.23Å; L1896-T1908 HydrophobicContact CD1-CG2 4.42Å; L1896-T1908 HydrophobicContact CD2-CG2 3.94Å; L1896-T1908 HydrophobicContact CG-CG2 3.72Å; L1896-A1909 HydrophobicContact CD2-CB 4.41Å; L1896-L1933 HydrophobicContact CB-CB 4.11Å; L1896-L1933 HydrophobicContact CB-CD2 4.37Å; L1896-L1933 HydrophobicContact CD1-CB 3.9Å; L1896-L1934 HydrophobicContact CD1-CD2 3.71Å; L1896-L1934 HydrophobicContact CD1-CG 4.13Å; L1896-H1937 PolarHBondContact O-CE1 3.14Å; L1896-H1937 PolarHBondContact O-NE2 3.06Å |
| 1897 | Y | 93.3 | Very high | 93.3 | Very high | 32 Ų | 32 | 30.5 Ų | 30.5 | 13% | 0.125 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -27.5 | 177.7 | -177.8 | -119.7 | 0 | 0 | 0 | 113.8 | R1849 R1894 L1895 K1899 V2086 I2090 | R1849-Y1897 VanDerWaalsContact CD-CE1 3.46Å; R1849-Y1897 WeakPolarHBondContact CD-OH 3.45Å; R1849-Y1897 HydrophobicContact CG-CD1 4.29Å; R1849-Y1897 HydrophobicContact CG-CE1 3.98Å; R1849-Y1897 VanDerWaalsContact CZ-CE1 3.49Å; R1849-Y1897 VanDerWaalsContact CZ-CE2 3.46Å; R1849-Y1897 VanDerWaalsContact CZ-CZ 3.48Å; R1849-Y1897 VanDerWaalsContact NE-CE1 3.3Å; R1849-Y1897 VanDerWaalsContact NE-CZ 3.25Å; R1849-Y1897 PolarHBondContact NE-O 3.26Å; R1849-Y1897 VanDerWaalsContact NE-O 3.13Å; R1849-Y1897 VanDerWaalsContact NH1-CE2 3.28Å; R1849-Y1897 PolarHBondContact NH1-OH 3.24Å; R1849-Y1897 VanDerWaalsContact NH1-OH 3.12Å; R1849-Y1897 PolarHBondContact NH2-O 3.45Å; R1849-Y1897 VanDerWaalsContact NH2-O 3.13Å; R1849-Y1897 PolarHBondContact NH2-OH 2.79Å; R1894-Y1897 WeakPolarHBondContact O-CB 3.47Å; R1894-Y1897 PolarHBondContact O-N 2.94Å; R1894-Y1897 VanDerWaalsContact O-N 3.12Å; L1895-Y1897 PolarHBondContact O-N 3.14Å; L1895-Y1897 VanDerWaalsContact O-N 3.15Å; Y1897-K1899 VanDerWaalsContact C-N 3.34Å; Y1897-K1899 PolarHBondContact O-N 2.91Å; Y1897-V2086 HydrophobicContact CD2-CG1 3.59Å; Y1897-V2086 HydrophobicContact CE2-CG1 3.74Å; Y1897-I2090 HydrophobicContact CD1-CD1 3.78Å; Y1897-I2090 HydrophobicContact CD1-CG1 4Å; Y1897-I2090 HydrophobicContact CD1-CG2 4.45Å; Y1897-I2090 HydrophobicContact CD2-CD1 4.11Å; Y1897-I2090 HydrophobicContact CD2-CG1 3.78Å; Y1897-I2090 HydrophobicContact CE1-CB 4.34Å; Y1897-I2090 HydrophobicContact CE1-CD1 4.17Å; Y1897-I2090 HydrophobicContact CE1-CG1 3.94Å; Y1897-I2090 HydrophobicContact CE1-CG2 3.91Å; Y1897-I2090 HydrophobicContact CE2-CD1 4.45Å; Y1897-I2090 HydrophobicContact CE2-CG1 3.74Å; Y1897-I2090 HydrophobicContact CG-CD1 3.7Å; Y1897-I2090 HydrophobicContact CG-CG1 3.87Å |
| 1898 | Y | 93.4 | Very high | 93.7 | Very high | 18.75 Ų | 18.75 | 26.8 Ų | 26.8 | 7% | 0.074 | 12% | 0.124 | C | C | . | . | trans | -84.1 | 73.8 | -175.1 | -60 | -77.1 | 0 | 0 | 0 | 111.5 | L1847 R1849 R1894 L1895 N1900 L1901 | L1847-Y1898 VanDerWaalsContact C-CE1 3.46Å; L1847-Y1898 HydrophobicContact CB-CD1 4.26Å; L1847-Y1898 HydrophobicContact CB-CD2 4.22Å; L1847-Y1898 HydrophobicContact CB-CE1 3.73Å; L1847-Y1898 HydrophobicContact CB-CE2 3.7Å; L1847-Y1898 HydrophobicContact CB-CG 4.45Å; L1847-Y1898 VanDerWaalsContact CB-CZ 3.43Å; L1847-Y1898 HydrophobicContact CD1-CD2 4.15Å; L1847-Y1898 HydrophobicContact CD1-CE2 3.93Å; L1847-Y1898 HydrophobicContact CG-CE2 4.47Å; L1847-Y1898 VanDerWaalsContact O-CE1 3.23Å; L1847-Y1898 WeakPolarHBondContact O-CE1 3.35Å; L1847-Y1898 PolarHBondContact O-OH 2.97Å; L1847-Y1898 VanDerWaalsContact O-OH 3.09Å; R1849-Y1898 HydrophobicContact CG-CD1 3.9Å; R1849-Y1898 HydrophobicContact CG-CE1 4.41Å; R1894-Y1898 HydrophobicContact CG-CE2 4.23Å; L1895-Y1898 HydrophobicContact CD2-CD2 4.49Å; L1895-Y1898 HydrophobicContact CD2-CE2 4.45Å; L1895-Y1898 PolarHBondContact O-N 3.05Å; Y1898-N1900 PolarHBondContact O-N 3.27Å; Y1898-L1901 PolarHBondContact O-N 3.04Å | ||
| 1899 | K | 90.4 | Very high | 93.8 | Very high | 101.75 Ų | 101.75 | 26.8 Ų | 26.8 | 44% | 0.442 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -22.6 | -178.1 | -61.3 | -170.5 | -179.8 | -177.1 | 0 | 114.5 | Y1897 L1901 Q1936 | Y1897-K1899 VanDerWaalsContact C-N 3.34Å; Y1897-K1899 PolarHBondContact O-N 2.91Å; K1899-L1901 PolarHBondContact O-N 3.03Å; K1899-Q1936 VanDerWaalsContact CE-NE2 3.33Å; K1899-Q1936 VanDerWaalsContact NZ-CD 3.28Å |
| 1900 | N | 92.1 | Very high | 93.9 | Very high | 52.5 Ų | 52.5 | 27 Ų | 27 | 28% | 0.281 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -11 | 172.6 | 57 | -50.3 | 0 | 0 | 0 | 113.9 | S1848 R1849 S1852 Y1898 P1902 | S1848-N1900 PolarHBondContact O-ND2 3.02Å; S1848-N1900 VanDerWaalsContact O-ND2 3.1Å; R1849-N1900 WeakPolarHBondContact CA-OD1 3.42Å; R1849-N1900 VanDerWaalsContact O-CG 3.24Å; R1849-N1900 PolarHBondContact O-ND2 3.03Å; R1849-N1900 PolarHBondContact O-OD1 2.97Å; S1852-N1900 PolarHBondContact O-ND2 3.25Å; Y1898-N1900 PolarHBondContact O-N 3.27Å; N1900-P1902 WeakPolarHBondContact O-CD 3.27Å |
| 1901 | L | 94 | Very high | 94 | Very high | 3.75 Ų | 3.75 | 23.1 Ų | 23.1 | 2% | 0.02 | 11% | 0.108 | C | C | . | . | trans | -120.7 | 60.8 | -177.8 | -58.2 | 174.3 | 0 | 0 | 0 | 111.6 | L1847 P1854 V1859 Y1898 K1899 K1903 L1904 C1905 | L1847-L1901 HydrophobicContact CD2-CD1 4.16Å; P1854-L1901 HydrophobicContact CG-CD2 4.46Å; V1859-L1901 HydrophobicContact CG1-CD1 4.24Å; V1859-L1901 HydrophobicContact CG1-CD2 4.15Å; V1859-L1901 HydrophobicContact CG2-CD1 3.75Å; V1859-L1901 HydrophobicContact CG2-CD2 4.1Å; Y1898-L1901 PolarHBondContact O-N 3.04Å; K1899-L1901 PolarHBondContact O-N 3.03Å; L1901-K1903 VanDerWaalsContact C-N 3.3Å; L1901-K1903 PolarHBondContact O-N 3.21Å; L1901-L1904 HydrophobicContact CB-CB 3.98Å; L1901-L1904 HydrophobicContact CB-CD2 4.47Å; L1901-L1904 HydrophobicContact CD1-CD2 4Å; L1901-L1904 WeakPolarHBondContact O-CB 3.38Å; L1901-L1904 PolarHBondContact O-N 3.07Å; L1901-C1905 PolarHBondContact O-N 3.13Å; L1901-C1905 PolarHBondContact O-SG 3.09Å | ||
| 1902 | P | 92.3 | Very high | 94.1 | Very high | 35.5 Ų | 35.5 | 22.9 Ų | 22.9 | 23% | 0.231 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.6 | -34.5 | -171.1 | 24.5 | -35.1 | 0 | 0 | 0 | 113.7 | N1900 L1904 C1905 C1906 L1961 | N1900-P1902 WeakPolarHBondContact O-CD 3.27Å; P1902-L1904 VanDerWaalsContact C-N 3.34Å; P1902-L1904 PolarHBondContact O-N 3.31Å; P1902-C1905 WeakPolarHBondContact O-CB 3.4Å; P1902-C1905 PolarHBondContact O-N 3.18Å; P1902-C1906 PolarHBondContact O-N 3.07Å; P1902-C1906 PolarHBondContact O-SG 3.14Å; P1902-C1906 VanDerWaalsContact O-SG 3.34Å; P1902-L1961 HydrophobicContact CB-CB 4.35Å; P1902-L1961 HydrophobicContact CG-CD1 4.41Å |
| 1903 | K | 92.1 | Very high | 93.9 | Very high | 107.5 Ų | 107.5 | 22.9 Ų | 22.9 | 47% | 0.467 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 174.7 | -70.1 | -175 | 178.1 | -178.1 | 0 | 111.8 | L1901 C1905 C1906 L1907 L1961 | L1901-K1903 VanDerWaalsContact C-N 3.3Å; L1901-K1903 PolarHBondContact O-N 3.21Å; K1903-C1905 VanDerWaalsContact C-N 3.34Å; K1903-C1906 WeakPolarHBondContact O-CB 3.37Å; K1903-C1906 PolarHBondContact O-N 3.21Å; K1903-L1907 WeakPolarHBondContact O-CG 3.43Å; K1903-L1907 PolarHBondContact O-N 3.13Å; K1903-L1907 VanDerWaalsContact O-N 3.15Å; K1903-L1961 HydrophobicContact CG-CD1 4.05Å; K1903-L1961 HydrophobicContact CG-CD2 3.93Å |
| 1904 | L | 95.3 | Very high | 93.7 | Very high | 7 Ų | 7 | 22.9 Ų | 22.9 | 4% | 0.037 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.3 | -42.2 | 175.4 | -176.8 | 61.5 | 0 | 0 | 0 | 110.6 | L1847 V1859 C1862 G1863 L1895 L1901 P1902 C1906 L1907 T1908 | L1847-L1904 HydrophobicContact CD1-CD2 4.31Å; V1859-L1904 HydrophobicContact CG1-CD2 4.27Å; C1862-L1904 HydrophobicContact CB-CD1 4.21Å; C1862-L1904 HydrophobicContact CB-CD2 4.36Å; G1863-L1904 VanDerWaalsContact CA-CD1 3.45Å; L1895-L1904 HydrophobicContact CB-CG 4.48Å; L1895-L1904 HydrophobicContact CD1-CD1 3.94Å; L1895-L1904 HydrophobicContact CD1-CD2 4.14Å; L1895-L1904 HydrophobicContact CD1-CG 4.02Å; L1895-L1904 HydrophobicContact CD2-CD2 4.25Å; L1901-L1904 HydrophobicContact CB-CB 3.98Å; L1901-L1904 HydrophobicContact CB-CD2 4.47Å; L1901-L1904 HydrophobicContact CD1-CD2 4Å; L1901-L1904 WeakPolarHBondContact O-CB 3.38Å; L1901-L1904 PolarHBondContact O-N 3.07Å; P1902-L1904 VanDerWaalsContact C-N 3.34Å; P1902-L1904 PolarHBondContact O-N 3.31Å; L1904-C1906 VanDerWaalsContact C-N 3.29Å; L1904-C1906 PolarHBondContact O-N 3.21Å; L1904-L1907 WeakPolarHBondContact O-CB 3.37Å; L1904-L1907 PolarHBondContact O-N 3.11Å; L1904-L1907 VanDerWaalsContact O-N 3.13Å; L1904-T1908 WeakPolarHBondContact O-CB 3.34Å; L1904-T1908 PolarHBondContact O-N 3.26Å; L1904-T1908 PolarHBondContact O-OG1 2.97Å |
| 1905 | C | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.6 | -37.5 | 173.9 | -62 | 0 | 0 | 0 | 0 | 112.1 | L1895 L1896 L1901 P1902 K1903 T1908 A1909 L1965 | L1895-C1905 PolarHBondContact O-SG 3.14Å; L1896-C1905 HydrophobicContact CD2-CB 4.23Å; L1901-C1905 PolarHBondContact O-N 3.13Å; L1901-C1905 PolarHBondContact O-SG 3.09Å; P1902-C1905 WeakPolarHBondContact O-CB 3.4Å; P1902-C1905 PolarHBondContact O-N 3.18Å; K1903-C1905 VanDerWaalsContact C-N 3.34Å; C1905-T1908 CarbonylContact O-C 2.93Å; C1905-T1908 WeakPolarHBondContact O-CB 3.41Å; C1905-T1908 PolarHBondContact O-N 3.17Å; C1905-A1909 WeakPolarHBondContact O-CB 3.38Å; C1905-A1909 PolarHBondContact O-N 3.15Å; C1905-L1965 VanDerWaalsContact C-CD1 3.43Å; C1905-L1965 HydrophobicContact CB-CD1 3.59Å; C1905-L1965 HydrophobicContact CB-CD2 3.52Å; C1905-L1965 HydrophobicContact CB-CG 4.22Å; C1905-L1965 WeakPolarHBondContact O-CD1 3.39Å |
| 1906 | C | 94.3 | Very high | 93.5 | Very high | 6.5 Ų | 6.5 | 20.1 Ų | 20.1 | 4% | 0.044 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.1 | -46.6 | 176.2 | -69.8 | 0 | 0 | 0 | 0 | 111.7 | P1902 K1903 L1904 T1908 A1909 T1910 L1968 | P1902-C1906 PolarHBondContact O-N 3.07Å; P1902-C1906 PolarHBondContact O-SG 3.14Å; P1902-C1906 VanDerWaalsContact O-SG 3.34Å; K1903-C1906 WeakPolarHBondContact O-CB 3.37Å; K1903-C1906 PolarHBondContact O-N 3.21Å; L1904-C1906 VanDerWaalsContact C-N 3.29Å; L1904-C1906 PolarHBondContact O-N 3.21Å; C1906-T1908 VanDerWaalsContact C-N 3.26Å; C1906-T1908 PolarHBondContact O-N 3.01Å; C1906-A1909 PolarHBondContact O-N 3.2Å; C1906-T1910 VanDerWaalsContact O-CB 3.24Å; C1906-T1910 WeakPolarHBondContact O-CB 3.4Å; C1906-T1910 PolarHBondContact O-N 3.38Å; C1906-T1910 PolarHBondContact O-OG1 3.18Å; C1906-L1968 HydrophobicContact CB-CD1 3.75Å |
| 1907 | L | 94.1 | Very high | 93 | Very high | 48.75 Ų | 48.75 | 22.2 Ų | 22.2 | 26% | 0.255 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -59.7 | -39.1 | 174.6 | -61.4 | 176.3 | 0 | 0 | 0 | 110.8 | V1866 K1903 L1904 T1910 C1911 H2040 | V1866-L1907 HydrophobicContact CG1-CB 4.39Å; V1866-L1907 VanDerWaalsContact CG1-O 3.28Å; V1866-L1907 WeakPolarHBondContact CG1-O 3.25Å; V1866-L1907 HydrophobicContact CG2-CB 3.82Å; K1903-L1907 WeakPolarHBondContact O-CG 3.43Å; K1903-L1907 PolarHBondContact O-N 3.13Å; K1903-L1907 VanDerWaalsContact O-N 3.15Å; L1904-L1907 WeakPolarHBondContact O-CB 3.37Å; L1904-L1907 PolarHBondContact O-N 3.11Å; L1904-L1907 VanDerWaalsContact O-N 3.13Å; L1907-T1910 VanDerWaalsContact O-CB 3.24Å; L1907-T1910 WeakPolarHBondContact O-CB 3.45Å; L1907-T1910 PolarHBondContact O-N 3.16Å; L1907-C1911 WeakPolarHBondContact O-CB 3.43Å; L1907-C1911 PolarHBondContact O-N 3.2Å; L1907-H2040 WeakPolarHBondContact CD2-CE1 3.34Å; L1907-H2040 VanDerWaalsContact CD2-ND1 3.31Å; L1907-H2040 WeakPolarHBondContact CD2-ND1 3.38Å |
| 1908 | T | 96.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.5 | -49.2 | 178.3 | -53.7 | 0 | 0 | 0 | 0 | 112.5 | T1892 L1895 L1896 L1904 C1905 C1906 T1910 C1911 V1912 | T1892-T1908 HydrophobicContact CG2-CG2 3.84Å; T1892-T1908 WeakPolarHBondContact O-CG2 3.39Å; L1895-T1908 HydrophobicContact CB-CG2 4Å; L1895-T1908 WeakPolarHBondContact CB-OG1 3.43Å; L1896-T1908 HydrophobicContact CD1-CG2 4.42Å; L1896-T1908 HydrophobicContact CD2-CG2 3.94Å; L1896-T1908 HydrophobicContact CG-CG2 3.72Å; L1904-T1908 WeakPolarHBondContact O-CB 3.34Å; L1904-T1908 PolarHBondContact O-N 3.26Å; L1904-T1908 PolarHBondContact O-OG1 2.97Å; C1905-T1908 CarbonylContact O-C 2.93Å; C1905-T1908 WeakPolarHBondContact O-CB 3.41Å; C1905-T1908 PolarHBondContact O-N 3.17Å; C1906-T1908 VanDerWaalsContact C-N 3.26Å; C1906-T1908 PolarHBondContact O-N 3.01Å; T1908-T1910 PolarHBondContact O-N 3.16Å; T1908-C1911 WeakPolarHBondContact O-CA 3.31Å; T1908-C1911 WeakPolarHBondContact O-CB 3.42Å; T1908-C1911 PolarHBondContact O-N 3.22Å; T1908-V1912 HydrophobicContact CG2-CG2 4.44Å; T1908-V1912 WeakPolarHBondContact O-CG2 3.39Å; T1908-V1912 PolarHBondContact O-N 3.15Å |
| 1909 | A | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.8 | -39 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1896 C1905 C1906 C1911 V1912 A1913 L1934 L1965 L1968 | L1896-A1909 HydrophobicContact CD2-CB 4.41Å; C1905-A1909 WeakPolarHBondContact O-CB 3.38Å; C1905-A1909 PolarHBondContact O-N 3.15Å; C1906-A1909 PolarHBondContact O-N 3.2Å; A1909-C1911 PolarHBondContact O-N 2.99Å; A1909-V1912 PolarHBondContact O-N 3.29Å; A1909-A1913 WeakPolarHBondContact O-CB 3.42Å; A1909-A1913 PolarHBondContact O-N 2.99Å; A1909-L1934 HydrophobicContact CB-CD2 4.27Å; A1909-L1965 HydrophobicContact CB-CD1 4.24Å; A1909-L1968 HydrophobicContact CB-CB 3.95Å |
| 1910 | T | 92.4 | Very high | 92.3 | Very high | 4.5 Ų | 4.5 | 22.5 Ų | 22.5 | 3% | 0.028 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 173.1 | -57 | 0 | 0 | 0 | 0 | 112.1 | A1870 C1906 L1907 T1908 A1913 S1914 W1971 L2039 H2040 | A1870-T1910 HydrophobicContact CB-CG2 4.3Å; C1906-T1910 VanDerWaalsContact O-CB 3.24Å; C1906-T1910 WeakPolarHBondContact O-CB 3.4Å; C1906-T1910 PolarHBondContact O-N 3.38Å; C1906-T1910 PolarHBondContact O-OG1 3.18Å; L1907-T1910 VanDerWaalsContact O-CB 3.24Å; L1907-T1910 WeakPolarHBondContact O-CB 3.45Å; L1907-T1910 PolarHBondContact O-N 3.16Å; T1908-T1910 PolarHBondContact O-N 3.16Å; T1910-A1913 PolarHBondContact O-N 3.13Å; T1910-S1914 WeakPolarHBondContact O-CB 3.41Å; T1910-S1914 PolarHBondContact O-N 3.05Å; T1910-S1914 VanDerWaalsContact O-N 3.11Å; T1910-S1914 PolarHBondContact O-OG 3.23Å; T1910-W1971 HydrophobicContact CG2-CZ3 4.35Å; T1910-L2039 HydrophobicContact CG2-CD1 3.75Å; T1910-L2039 HydrophobicContact CG2-CD2 4.3Å; T1910-L2039 HydrophobicContact CG2-CG 3.74Å; T1910-L2039 WeakPolarHBondContact CG2-O 3.47Å; T1910-H2040 VanDerWaalsContact CG2-CD2 3.41Å; T1910-H2040 WeakPolarHBondContact CG2-CD2 3.23Å; T1910-H2040 WeakPolarHBondContact CG2-CE1 3.43Å; T1910-H2040 WeakPolarHBondContact CG2-ND1 3.32Å; T1910-H2040 WeakPolarHBondContact CG2-NE2 3.41Å; T1910-H2040 PolarHBondContact OG1-ND1 3.21Å |
| 1911 | C | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.4 | -44.8 | 176.1 | -172.9 | 0 | 0 | 0 | 0 | 112 | V1866 A1870 T1892 L1907 T1908 A1909 A1913 S1914 F1915 | V1866-C1911 HydrophobicContact CB-CB 4.14Å; V1866-C1911 HydrophobicContact CG1-CB 3.36Å; V1866-C1911 PolarHBondContact O-SG 3.16Å; V1866-C1911 VanDerWaalsContact O-SG 3.38Å; A1870-C1911 HydrophobicContact CB-CB 3.84Å; T1892-C1911 HydrophobicContact CG2-CB 4.36Å; L1907-C1911 WeakPolarHBondContact O-CB 3.43Å; L1907-C1911 PolarHBondContact O-N 3.2Å; T1908-C1911 WeakPolarHBondContact O-CA 3.31Å; T1908-C1911 WeakPolarHBondContact O-CB 3.42Å; T1908-C1911 PolarHBondContact O-N 3.22Å; A1909-C1911 PolarHBondContact O-N 2.99Å; C1911-A1913 VanDerWaalsContact C-N 3.33Å; C1911-A1913 PolarHBondContact O-N 3.38Å; C1911-S1914 CarbonylContact O-C 3.31Å; C1911-S1914 WeakPolarHBondContact O-CA 3.42Å; C1911-S1914 WeakPolarHBondContact O-CB 3.33Å; C1911-S1914 PolarHBondContact O-N 3.08Å; C1911-F1915 WeakPolarHBondContact O-CG 3.46Å; C1911-F1915 PolarHBondContact O-N 3.2Å; C1911-F1915 VanDerWaalsContact SG-CE1 3.59Å; C1911-F1915 WeakPolarHBondContact SG-CZ 3.4Å |
| 1912 | V | 94.9 | Very high | 92.1 | Very high | 0.25 Ų | 0.25 | 19.8 Ų | 19.8 | 0% | 0.002 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.7 | -43.1 | 176.1 | 177 | 0 | 0 | 0 | 0 | 111 | T1892 L1893 T1908 A1909 S1914 F1915 C1916 C1925 L1934 A1972 M1976 | T1892-V1912 HydrophobicContact CG2-CG2 4.3Å; L1893-V1912 HydrophobicContact CD2-CG1 4.44Å; L1893-V1912 HydrophobicContact CD2-CG2 3.69Å; T1908-V1912 HydrophobicContact CG2-CG2 4.44Å; T1908-V1912 WeakPolarHBondContact O-CG2 3.39Å; T1908-V1912 PolarHBondContact O-N 3.15Å; A1909-V1912 PolarHBondContact O-N 3.29Å; V1912-S1914 PolarHBondContact O-N 2.97Å; V1912-F1915 WeakPolarHBondContact O-CB 3.36Å; V1912-F1915 PolarHBondContact O-N 2.91Å; V1912-F1915 VanDerWaalsContact O-N 3.13Å; V1912-C1916 WeakPolarHBondContact O-CB 3.42Å; V1912-C1916 PolarHBondContact O-N 3.01Å; V1912-C1916 PolarHBondContact O-SG 3.1Å; V1912-C1916 VanDerWaalsContact O-SG 3.36Å; V1912-C1925 HydrophobicContact CG1-CB 4.5Å; V1912-L1934 HydrophobicContact CG1-CD1 4.05Å; V1912-A1972 HydrophobicContact CB-CB 4.45Å; V1912-A1972 HydrophobicContact CG1-CB 4.4Å; V1912-M1976 HydrophobicContact CG1-CE 4.25Å |
| 1913 | A | 92.1 | Very high | 91.9 | Very high | 0.75 Ų | 0.75 | 18.3 Ų | 18.3 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.8 | -36 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1909 T1910 C1911 C1916 W1971 A1972 R1975 | A1909-A1913 WeakPolarHBondContact O-CB 3.42Å; A1909-A1913 PolarHBondContact O-N 2.99Å; T1910-A1913 PolarHBondContact O-N 3.13Å; C1911-A1913 VanDerWaalsContact C-N 3.33Å; C1911-A1913 PolarHBondContact O-N 3.38Å; A1913-C1916 PolarHBondContact O-N 3.16Å; A1913-W1971 HydrophobicContact CB-CD2 4.1Å; A1913-W1971 HydrophobicContact CB-CE3 3.53Å; A1913-W1971 VanDerWaalsContact CB-CE3 3.44Å; A1913-W1971 HydrophobicContact CB-CH2 3.83Å; A1913-W1971 HydrophobicContact CB-CZ2 4.34Å; A1913-W1971 HydrophobicContact CB-CZ3 3.39Å; A1913-W1971 VanDerWaalsContact CB-CZ3 3.46Å; A1913-A1972 HydrophobicContact CB-CB 3.91Å; A1913-R1975 HydrophobicContact CB-CG 4.26Å |
| 1914 | S | 90.5 | Very high | 91.8 | Very high | 2.25 Ų | 2.25 | 14.4 Ų | 14.4 | 2% | 0.016 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -76.1 | -28.1 | 178.1 | -50.7 | 0 | 0 | 0 | 0 | 112.9 | S1873 T1910 C1911 V1912 I1917 L2039 | S1873-S1914 WeakPolarHBondContact CB-O 3.47Å; S1873-S1914 VanDerWaalsContact OG-C 3.22Å; S1873-S1914 VanDerWaalsContact OG-CB 3.26Å; S1873-S1914 WeakPolarHBondContact OG-CB 3.31Å; S1873-S1914 PolarHBondContact OG-O 3.02Å; T1910-S1914 WeakPolarHBondContact O-CB 3.41Å; T1910-S1914 PolarHBondContact O-N 3.05Å; T1910-S1914 VanDerWaalsContact O-N 3.11Å; T1910-S1914 PolarHBondContact O-OG 3.23Å; C1911-S1914 CarbonylContact O-C 3.31Å; C1911-S1914 WeakPolarHBondContact O-CA 3.42Å; C1911-S1914 WeakPolarHBondContact O-CB 3.33Å; C1911-S1914 PolarHBondContact O-N 3.08Å; V1912-S1914 PolarHBondContact O-N 2.97Å; S1914-I1917 WeakPolarHBondContact O-CD1 3.4Å; S1914-I1917 VanDerWaalsContact O-CG1 3.22Å; S1914-I1917 WeakPolarHBondContact O-CG1 3.37Å; S1914-L2039 VanDerWaalsContact OG-CD1 3.29Å; S1914-L2039 WeakPolarHBondContact OG-CD1 3.35Å |
| 1915 | F | 92.1 | Very high | 91.7 | Very high | 0.5 Ų | 0.5 | 14.1 Ų | 14.1 | 0% | 0.002 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -69.4 | -42.9 | 169.7 | -71 | -10.8 | 0 | 0 | 0 | 111.5 | L1869 I1882 L1889 T1892 C1911 V1912 I1917 D1918 L1921 | L1869-F1915 HydrophobicContact CB-CE1 4.09Å; L1869-F1915 HydrophobicContact CB-CZ 3.96Å; L1869-F1915 HydrophobicContact CD1-CZ 4.35Å; I1882-F1915 HydrophobicContact CD1-CE1 4.09Å; I1882-F1915 HydrophobicContact CG2-CE1 4.13Å; I1882-F1915 HydrophobicContact CG2-CZ 4.1Å; L1889-F1915 HydrophobicContact CD1-CD2 4.23Å; L1889-F1915 HydrophobicContact CD1-CE2 3.98Å; L1889-F1915 HydrophobicContact CD1-CZ 4.42Å; L1889-F1915 HydrophobicContact CD2-CD2 4.47Å; L1889-F1915 HydrophobicContact CG-CD2 4.02Å; L1889-F1915 HydrophobicContact CG-CE2 3.96Å; T1892-F1915 HydrophobicContact CG2-CE2 4.15Å; C1911-F1915 WeakPolarHBondContact O-CG 3.46Å; C1911-F1915 PolarHBondContact O-N 3.2Å; C1911-F1915 VanDerWaalsContact SG-CE1 3.59Å; C1911-F1915 WeakPolarHBondContact SG-CZ 3.4Å; V1912-F1915 WeakPolarHBondContact O-CB 3.36Å; V1912-F1915 PolarHBondContact O-N 2.91Å; V1912-F1915 VanDerWaalsContact O-N 3.13Å; F1915-I1917 PolarHBondContact O-N 3.22Å; F1915-D1918 PolarHBondContact O-N 3.1Å; F1915-D1918 VanDerWaalsContact O-N 3.1Å; F1915-L1921 HydrophobicContact CB-CB 4.13Å; F1915-L1921 HydrophobicContact CB-CD1 4.32Å; F1915-L1921 HydrophobicContact CD1-CD1 4.28Å; F1915-L1921 HydrophobicContact CG-CD1 4.43Å; F1915-L1921 WeakPolarHBondContact O-CB 3.41Å |
| 1916 | C | 91 | Very high | 91.5 | Very high | 0.75 Ų | 0.75 | 14.4 Ų | 14.4 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 13.2 | -178.9 | -64.5 | 0 | 0 | 0 | 0 | 114.8 | V1912 A1913 D1918 C1922 R1975 M1976 G1979 | V1912-C1916 WeakPolarHBondContact O-CB 3.42Å; V1912-C1916 PolarHBondContact O-N 3.01Å; V1912-C1916 PolarHBondContact O-SG 3.1Å; V1912-C1916 VanDerWaalsContact O-SG 3.36Å; A1913-C1916 PolarHBondContact O-N 3.16Å; C1916-D1918 VanDerWaalsContact C-N 3.28Å; C1916-C1922 WeakPolarHBondContact CA-SG 3.4Å; C1916-C1922 HydrophobicContact CB-CB 4.25Å; C1916-C1922 VanDerWaalsContact CB-SG 3.59Å; C1916-R1975 HydrophobicContact CB-CB 3.87Å; C1916-R1975 VanDerWaalsContact O-O 3.07Å; C1916-M1976 HydrophobicContact CB-CB 4.39Å; C1916-G1979 WeakPolarHBondContact O-CA 3.38Å |
| 1917 | I | 85.2 | Confident | 91.3 | Very high | 42.5 Ų | 42.5 | 17.5 Ų | 17.5 | 22% | 0.218 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -26.2 | 165.4 | -49.9 | -171.9 | 0 | 0 | 0 | 110.4 | L1874 S1914 F1915 I2026 | L1874-I1917 HydrophobicContact CD2-CD1 3.9Å; S1914-I1917 WeakPolarHBondContact O-CD1 3.4Å; S1914-I1917 VanDerWaalsContact O-CG1 3.22Å; S1914-I1917 WeakPolarHBondContact O-CG1 3.37Å; F1915-I1917 PolarHBondContact O-N 3.22Å; I1917-I2026 HydrophobicContact CD1-CD1 4.15Å; I1917-I2026 HydrophobicContact CD1-CG2 3.66Å; I1917-I2026 HydrophobicContact CG2-CD1 4.26Å |
| 1918 | D | 87.3 | Confident | 91.2 | Very high | 34.25 Ų | 34.25 | 17.8 Ų | 17.8 | 18% | 0.183 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -109.3 | 133.6 | -178.7 | -173.8 | -76.9 | 0 | 0 | 0 | 110.6 | R1879 F1915 C1916 W1920 L1921 C1922 | R1879-D1918 VanDerWaalsContact CD-CB 3.45Å; R1879-D1918 IonicContact CZ-OD2 2.98Å; R1879-D1918 IonicContact NE-OD2 3.57Å; R1879-D1918 PolarHBondContact NE-OD2 3.18Å; R1879-D1918 VanDerWaalsContact NE-OD2 3.11Å; F1915-D1918 PolarHBondContact O-N 3.1Å; F1915-D1918 VanDerWaalsContact O-N 3.1Å; C1916-D1918 VanDerWaalsContact C-N 3.28Å; D1918-W1920 VanDerWaalsContact C-N 3.32Å; D1918-W1920 PolarHBondContact O-N 3.12Å; D1918-W1920 PolarHBondContact OD1-N 3.41Å; D1918-W1920 VanDerWaalsContact OD1-N 3.08Å; D1918-L1921 HydrophobicContact CB-CB 4.32Å; D1918-L1921 HydrophobicContact CB-CD1 4.24Å; D1918-L1921 HydrophobicContact CB-CG 4.35Å; D1918-L1921 PolarHBondContact O-N 3.21Å; D1918-L1921 PolarHBondContact OD1-N 3.29Å; D1918-C1922 WeakPolarHBondContact O-CB 3.38Å; D1918-C1922 PolarHBondContact O-N 3.24Å; D1918-C1922 PolarHBondContact O-SG 2.97Å; D1918-C1922 VanDerWaalsContact O-SG 3.37Å |
| 1919 | Y | 88.2 | Confident | 90.9 | Very high | 25.5 Ų | 25.5 | 17.8 Ų | 17.8 | 10% | 0.1 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -55.8 | -46.1 | -175.8 | 172.7 | -103.8 | 0 | 0 | 0 | 112.4 | L1921 C1922 V1923 G1979 Y1980 G1983 T1987 R1994 E1995 | Y1919-L1921 PolarHBondContact O-N 3.48Å; Y1919-C1922 VanDerWaalsContact O-CB 3.32Å; Y1919-C1922 WeakPolarHBondContact O-CB 3.3Å; Y1919-C1922 PolarHBondContact O-N 3.04Å; Y1919-V1923 HydrophobicContact CD1-CG2 4.4Å; Y1919-V1923 HydrophobicContact CD2-CG2 4.08Å; Y1919-V1923 HydrophobicContact CE1-CG2 4.01Å; Y1919-V1923 HydrophobicContact CE2-CG2 3.88Å; Y1919-V1923 HydrophobicContact CG-CG2 4.42Å; Y1919-V1923 WeakPolarHBondContact O-CG2 3.33Å; Y1919-V1923 PolarHBondContact O-N 2.96Å; Y1919-G1979 WeakPolarHBondContact CD2-O 3.43Å; Y1919-Y1980 HydrophobicContact CD2-CD1 4.49Å; Y1919-Y1980 AromaticContact CE2-CD1 3.91Å; Y1919-Y1980 HydrophobicContact CE2-CD1 3.91Å; Y1919-Y1980 HydrophobicContact CE2-CE1 4.45Å; Y1919-Y1980 WeakPolarHBondContact CE2-O 3.41Å; Y1919-G1983 VanDerWaalsContact CD2-CA 3.41Å; Y1919-T1987 HydrophobicContact CE1-CG2 4.23Å; Y1919-T1987 WeakPolarHBondContact OH-CG2 3.41Å; Y1919-R1994 HydrophobicContact CE1-CB 3.99Å; Y1919-R1994 HydrophobicContact CE1-CG 4.47Å; Y1919-R1994 HydrophobicContact CE2-CB 4.33Å; Y1919-R1994 WeakPolarHBondContact OH-CB 3.41Å; Y1919-R1994 VanDerWaalsContact OH-CZ 3.25Å; Y1919-R1994 PolarHBondContact OH-NH1 3.35Å; Y1919-R1994 PolarHBondContact OH-NH2 3.05Å; Y1919-R1994 PolarHBondContact OH-O 2.93Å; Y1919-E1995 PolarHBondContact OH-O 3.17Å |
| 1920 | W | 87.8 | Confident | 90.8 | Very high | 99.5 Ų | 99.5 | 17.8 Ų | 17.8 | 38% | 0.377 | 8% | 0.081 | S | C | . | . | H | α-helix | trans | -71.2 | -40.5 | -174 | -65.3 | 108.3 | 0 | 0 | 0 | 112.1 | Q1883 D1918 C1922 V1923 T1924 L1992 R1994 | Q1883-W1920 VanDerWaalsContact CD-CB 3.45Å; Q1883-W1920 HydrophobicContact CG-CB 4.3Å; Q1883-W1920 VanDerWaalsContact NE2-CG 3.29Å; D1918-W1920 VanDerWaalsContact C-N 3.32Å; D1918-W1920 PolarHBondContact O-N 3.12Å; D1918-W1920 PolarHBondContact OD1-N 3.41Å; D1918-W1920 VanDerWaalsContact OD1-N 3.08Å; W1920-C1922 VanDerWaalsContact C-N 3.32Å; W1920-C1922 PolarHBondContact O-N 3.06Å; W1920-V1923 WeakPolarHBondContact O-CB 3.38Å; W1920-V1923 PolarHBondContact O-N 3.14Å; W1920-T1924 PolarHBondContact O-N 3.33Å; W1920-T1924 PolarHBondContact O-OG1 2.9Å; W1920-T1924 VanDerWaalsContact O-OG1 3.11Å; W1920-L1992 HydrophobicContact CH2-CD1 4.29Å; W1920-L1992 HydrophobicContact CZ3-CD1 4.49Å; W1920-R1994 VanDerWaalsContact CZ3-NH2 3.27Å |
| 1921 | L | 90.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.7 | -39.1 | 173.7 | -67.7 | -179.6 | 0 | 0 | 0 | 111.4 | R1879 I1882 Q1883 L1889 F1915 D1918 Y1919 V1923 T1924 C1925 | R1879-L1921 HydrophobicContact CB-CD1 3.92Å; R1879-L1921 HydrophobicContact CG-CD1 3.94Å; I1882-L1921 HydrophobicContact CB-CD2 4.48Å; I1882-L1921 HydrophobicContact CG2-CD2 4.01Å; Q1883-L1921 HydrophobicContact CB-CD2 3.87Å; Q1883-L1921 HydrophobicContact CG-CD2 4.48Å; L1889-L1921 HydrophobicContact CD1-CD2 4.1Å; L1889-L1921 HydrophobicContact CD2-CD2 4.1Å; F1915-L1921 HydrophobicContact CB-CB 4.13Å; F1915-L1921 HydrophobicContact CB-CD1 4.32Å; F1915-L1921 HydrophobicContact CD1-CD1 4.28Å; F1915-L1921 HydrophobicContact CG-CD1 4.43Å; F1915-L1921 WeakPolarHBondContact O-CB 3.41Å; D1918-L1921 HydrophobicContact CB-CB 4.32Å; D1918-L1921 HydrophobicContact CB-CD1 4.24Å; D1918-L1921 HydrophobicContact CB-CG 4.35Å; D1918-L1921 PolarHBondContact O-N 3.21Å; D1918-L1921 PolarHBondContact OD1-N 3.29Å; Y1919-L1921 PolarHBondContact O-N 3.48Å; L1921-V1923 VanDerWaalsContact C-N 3.32Å; L1921-V1923 PolarHBondContact O-N 3.21Å; L1921-T1924 PolarHBondContact O-N 3.31Å; L1921-C1925 VanDerWaalsContact O-CB 3.26Å; L1921-C1925 WeakPolarHBondContact O-CB 3.41Å; L1921-C1925 PolarHBondContact O-N 3.33Å; L1921-C1925 PolarHBondContact O-SG 3.45Å; L1921-C1925 VanDerWaalsContact O-SG 3.35Å |
| 1922 | C | 91 | Very high | 91 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -57.4 | -47.5 | 173.4 | -158.2 | 0 | 0 | 0 | 0 | 111.7 | C1916 D1918 Y1919 W1920 T1924 C1925 Y1926 M1976 Y1980 | C1916-C1922 WeakPolarHBondContact CA-SG 3.4Å; C1916-C1922 HydrophobicContact CB-CB 4.25Å; C1916-C1922 VanDerWaalsContact CB-SG 3.59Å; D1918-C1922 WeakPolarHBondContact O-CB 3.38Å; D1918-C1922 PolarHBondContact O-N 3.24Å; D1918-C1922 PolarHBondContact O-SG 2.97Å; D1918-C1922 VanDerWaalsContact O-SG 3.37Å; Y1919-C1922 VanDerWaalsContact O-CB 3.32Å; Y1919-C1922 WeakPolarHBondContact O-CB 3.3Å; Y1919-C1922 PolarHBondContact O-N 3.04Å; W1920-C1922 VanDerWaalsContact C-N 3.32Å; W1920-C1922 PolarHBondContact O-N 3.06Å; C1922-T1924 PolarHBondContact O-N 3.13Å; C1922-C1925 WeakPolarHBondContact O-CB 3.35Å; C1922-C1925 PolarHBondContact O-N 3.4Å; C1922-Y1926 WeakPolarHBondContact O-CB 3.39Å; C1922-Y1926 PolarHBondContact O-N 3.01Å; C1922-M1976 VanDerWaalsContact SG-CA 3.59Å; C1922-M1976 PolarHBondContact SG-O 3.09Å; C1922-Y1980 HydrophobicContact CB-CD2 3.6Å; C1922-Y1980 HydrophobicContact CB-CE2 3.54Å; C1922-Y1980 HydrophobicContact CB-CG 4.47Å; C1922-Y1980 WeakPolarHBondContact O-CE2 3.37Å; C1922-Y1980 PolarHBondContact SG-N 3.14Å |
| 1923 | V | 88.9 | Confident | 91 | Very high | 4.5 Ų | 4.5 | 17.8 Ų | 17.8 | 3% | 0.027 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.2 | -48.8 | 178.2 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | Y1919 W1920 L1921 C1925 Y1926 E1927 Y1980 R1994 | Y1919-V1923 HydrophobicContact CD1-CG2 4.4Å; Y1919-V1923 HydrophobicContact CD2-CG2 4.08Å; Y1919-V1923 HydrophobicContact CE1-CG2 4.01Å; Y1919-V1923 HydrophobicContact CE2-CG2 3.88Å; Y1919-V1923 HydrophobicContact CG-CG2 4.42Å; Y1919-V1923 WeakPolarHBondContact O-CG2 3.33Å; Y1919-V1923 PolarHBondContact O-N 2.96Å; W1920-V1923 WeakPolarHBondContact O-CB 3.38Å; W1920-V1923 PolarHBondContact O-N 3.14Å; L1921-V1923 VanDerWaalsContact C-N 3.32Å; L1921-V1923 PolarHBondContact O-N 3.21Å; V1923-C1925 VanDerWaalsContact C-N 3.33Å; V1923-C1925 PolarHBondContact O-N 3.1Å; V1923-Y1926 WeakPolarHBondContact O-CB 3.42Å; V1923-Y1926 PolarHBondContact O-N 3.35Å; V1923-Y1926 VanDerWaalsContact O-N 3.13Å; V1923-E1927 HydrophobicContact CG1-CG 4.24Å; V1923-E1927 WeakPolarHBondContact CG1-OE1 3.34Å; V1923-E1927 WeakPolarHBondContact O-CG 3.41Å; V1923-E1927 PolarHBondContact O-N 3.4Å; V1923-Y1980 VanDerWaalsContact CA-OH 3.23Å; V1923-Y1980 WeakPolarHBondContact CA-OH 3Å; V1923-Y1980 HydrophobicContact CB-CD2 4.44Å; V1923-Y1980 HydrophobicContact CB-CE2 4.33Å; V1923-Y1980 HydrophobicContact CG1-CE2 4.12Å; V1923-Y1980 HydrophobicContact CG2-CD2 3.76Å; V1923-Y1980 HydrophobicContact CG2-CE1 3.63Å; V1923-Y1980 HydrophobicContact CG2-CE2 3.66Å; V1923-R1994 VanDerWaalsContact CG1-NH1 3.29Å |
| 1924 | T | 89.7 | Confident | 91.2 | Very high | 25.75 Ų | 25.75 | 17.8 Ų | 17.8 | 16% | 0.158 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.5 | -38.2 | 178.4 | -53.6 | 0 | 0 | 0 | 0 | 112.3 | L1889 W1920 L1921 C1922 Y1926 E1927 Y1928 | L1889-T1924 HydrophobicContact CB-CG2 4.37Å; L1889-T1924 HydrophobicContact CD2-CG2 3.52Å; L1889-T1924 VanDerWaalsContact CD2-CG2 3.5Å; W1920-T1924 PolarHBondContact O-N 3.33Å; W1920-T1924 PolarHBondContact O-OG1 2.9Å; W1920-T1924 VanDerWaalsContact O-OG1 3.11Å; L1921-T1924 PolarHBondContact O-N 3.31Å; C1922-T1924 PolarHBondContact O-N 3.13Å; T1924-Y1926 VanDerWaalsContact C-N 3.31Å; T1924-Y1926 PolarHBondContact O-N 3.1Å; T1924-E1927 PolarHBondContact O-N 3.02Å; T1924-Y1928 HydrophobicContact CG2-CD2 3.69Å; T1924-Y1928 HydrophobicContact CG2-CE2 3.4Å; T1924-Y1928 VanDerWaalsContact CG2-CE2 3.44Å; T1924-Y1928 HydrophobicContact CG2-CG 4.43Å; T1924-Y1928 WeakPolarHBondContact O-CB 3.38Å; T1924-Y1928 PolarHBondContact O-N 3.25Å; T1924-Y1928 VanDerWaalsContact O-N 3.08Å |
| 1925 | C | 92.6 | Very high | 91.5 | Very high | 0.75 Ų | 0.75 | 17.7 Ų | 17.7 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.4 | -39.7 | 174 | -77.5 | 0 | 0 | 0 | 0 | 112.2 | V1912 L1921 C1922 V1923 G1930 M1976 | V1912-C1925 HydrophobicContact CG1-CB 4.5Å; L1921-C1925 VanDerWaalsContact O-CB 3.26Å; L1921-C1925 WeakPolarHBondContact O-CB 3.41Å; L1921-C1925 PolarHBondContact O-N 3.33Å; L1921-C1925 PolarHBondContact O-SG 3.45Å; L1921-C1925 VanDerWaalsContact O-SG 3.35Å; C1922-C1925 WeakPolarHBondContact O-CB 3.35Å; C1922-C1925 PolarHBondContact O-N 3.4Å; V1923-C1925 VanDerWaalsContact C-N 3.33Å; V1923-C1925 PolarHBondContact O-N 3.1Å; C1925-G1930 VanDerWaalsContact O-CA 3.26Å; C1925-G1930 WeakPolarHBondContact O-CA 3.35Å; C1925-G1930 PolarHBondContact O-N 3.06Å; C1925-M1976 HydrophobicContact CB-CE 4.2Å |
| 1926 | Y | 92.1 | Very high | 91.6 | Very high | 5.25 Ų | 5.25 | 18.5 Ų | 18.5 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68.6 | -49.8 | 177 | 177.2 | -112.4 | 0 | 0 | 0 | 112 | C1922 V1923 T1924 Y1928 G1929 L1931 M1976 Y1980 P1997 D1998 V1999 A2002 L2097 | C1922-Y1926 WeakPolarHBondContact O-CB 3.39Å; C1922-Y1926 PolarHBondContact O-N 3.01Å; V1923-Y1926 WeakPolarHBondContact O-CB 3.42Å; V1923-Y1926 PolarHBondContact O-N 3.35Å; V1923-Y1926 VanDerWaalsContact O-N 3.13Å; T1924-Y1926 VanDerWaalsContact C-N 3.31Å; T1924-Y1926 PolarHBondContact O-N 3.1Å; Y1926-Y1928 PolarHBondContact O-N 3.32Å; Y1926-G1929 PolarHBondContact O-N 2.96Å; Y1926-L1931 HydrophobicContact CD2-CB 4.05Å; Y1926-L1931 HydrophobicContact CD2-CD2 4.35Å; Y1926-L1931 HydrophobicContact CE2-CB 4.19Å; Y1926-L1931 HydrophobicContact CE2-CD2 3.76Å; Y1926-M1976 HydrophobicContact CD2-SD 4.29Å; Y1926-Y1980 WeakPolarHBondContact CB-OH 3.47Å; Y1926-Y1980 HydrophobicContact CD1-CE2 4.2Å; Y1926-P1997 HydrophobicContact CD1-CB 3.95Å; Y1926-P1997 HydrophobicContact CD1-CG 3.51Å; Y1926-P1997 HydrophobicContact CE1-CB 3.56Å; Y1926-P1997 HydrophobicContact CE1-CG 3.7Å; Y1926-P1997 WeakPolarHBondContact CE1-O 3.34Å; Y1926-P1997 PolarHBondContact OH-O 3.11Å; Y1926-P1997 VanDerWaalsContact OH-O 3.07Å; Y1926-D1998 PolarHBondContact OH-O 3.31Å; Y1926-V1999 HydrophobicContact CD1-CG2 3.94Å; Y1926-V1999 HydrophobicContact CD2-CB 4.39Å; Y1926-V1999 HydrophobicContact CD2-CG1 4.26Å; Y1926-V1999 HydrophobicContact CD2-CG2 3.68Å; Y1926-V1999 HydrophobicContact CE1-CG2 4.21Å; Y1926-V1999 HydrophobicContact CE2-CB 4.39Å; Y1926-V1999 HydrophobicContact CE2-CG1 4.35Å; Y1926-V1999 HydrophobicContact CE2-CG2 3.98Å; Y1926-V1999 HydrophobicContact CG-CG2 3.66Å; Y1926-A2002 HydrophobicContact CE2-CB 4.27Å; Y1926-A2002 WeakPolarHBondContact OH-CB 3.4Å; Y1926-L2097 HydrophobicContact CD1-CD1 4.15Å; Y1926-L2097 HydrophobicContact CD1-CD2 4.18Å; Y1926-L2097 HydrophobicContact CE1-CD1 3.73Å; Y1926-L2097 HydrophobicContact CE1-CD2 4.03Å; Y1926-L2097 HydrophobicContact CE1-CG 4.25Å; Y1926-L2097 HydrophobicContact CE2-CD2 4.2Å |
| 1927 | E | 89.7 | Confident | 91.9 | Very high | 72.75 Ų | 72.75 | 18.9 Ų | 18.9 | 34% | 0.34 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -60.9 | -31.6 | 179.9 | -72.1 | 176.4 | 166.3 | 0 | 0 | 113 | V1923 T1924 G1929 R1994 L2097 | V1923-E1927 HydrophobicContact CG1-CG 4.24Å; V1923-E1927 WeakPolarHBondContact CG1-OE1 3.34Å; V1923-E1927 WeakPolarHBondContact O-CG 3.41Å; V1923-E1927 PolarHBondContact O-N 3.4Å; T1924-E1927 PolarHBondContact O-N 3.02Å; E1927-G1929 PolarHBondContact O-N 3.08Å; E1927-R1994 WeakPolarHBondContact OE1-CD 3.34Å; E1927-R1994 IonicContact OE1-CZ 3.04Å; E1927-R1994 IonicContact OE1-NE 3.68Å; E1927-R1994 IonicContact OE1-NH1 3.57Å; E1927-R1994 PolarHBondContact OE1-NH1 3.07Å; E1927-R1994 IonicContact OE2-NH1 3.12Å; E1927-R1994 PolarHBondContact OE2-NH1 3.33Å; E1927-L2097 HydrophobicContact CG-CD1 4.34Å |
| 1928 | Y | 91 | Very high | 92.4 | Very high | 53.25 Ų | 53.25 | 16.9 Ų | 16.9 | 21% | 0.209 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 20.4 | 175.1 | -65.6 | -13.1 | 0 | 0 | 0 | 113.7 | P1886 L1889 K1890 T1924 Y1926 G1930 L2089 | P1886-Y1928 HydrophobicContact CB-CE2 4.24Å; L1889-Y1928 HydrophobicContact CB-CD2 4.27Å; L1889-Y1928 HydrophobicContact CB-CE2 4.48Å; K1890-Y1928 HydrophobicContact CD-CD2 4.46Å; K1890-Y1928 HydrophobicContact CD-CE2 4.1Å; K1890-Y1928 VanDerWaalsContact CE-CE1 3.45Å; K1890-Y1928 VanDerWaalsContact CE-CE2 3.45Å; K1890-Y1928 WeakPolarHBondContact CE-OH 3.34Å; K1890-Y1928 HydrophobicContact CG-CD2 3.48Å; K1890-Y1928 VanDerWaalsContact CG-CD2 3.47Å; K1890-Y1928 HydrophobicContact CG-CE2 3.42Å; K1890-Y1928 VanDerWaalsContact CG-CE2 3.41Å; K1890-Y1928 HydrophobicContact CG-CG 4.17Å; T1924-Y1928 HydrophobicContact CG2-CD2 3.69Å; T1924-Y1928 HydrophobicContact CG2-CE2 3.4Å; T1924-Y1928 VanDerWaalsContact CG2-CE2 3.44Å; T1924-Y1928 HydrophobicContact CG2-CG 4.43Å; T1924-Y1928 WeakPolarHBondContact O-CB 3.38Å; T1924-Y1928 PolarHBondContact O-N 3.25Å; T1924-Y1928 VanDerWaalsContact O-N 3.08Å; Y1926-Y1928 PolarHBondContact O-N 3.32Å; Y1928-G1930 VanDerWaalsContact C-N 3.32Å; Y1928-G1930 PolarHBondContact O-N 3.07Å; Y1928-L2089 WeakPolarHBondContact O-CD1 3.47Å; Y1928-L2089 WeakPolarHBondContact O-CD2 3.37Å |
| 1929 | G | 91.5 | Very high | 92.8 | Very high | 0.75 Ų | 0.75 | 16 Ų | 16 | 1% | 0.008 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 18.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y1926 E1927 L1931 F1932 L1933 | Y1926-G1929 PolarHBondContact O-N 2.96Å; E1927-G1929 PolarHBondContact O-N 3.08Å; G1929-L1931 PolarHBondContact O-N 3.19Å; G1929-F1932 PolarHBondContact O-N 3.27Å; G1929-F1932 VanDerWaalsContact O-N 3.16Å; G1929-L1933 PolarHBondContact O-N 3.17Å |
| 1930 | G | 93.9 | Very high | 93 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -57.4 | -33.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C1925 Y1928 F1932 L1933 L1934 | C1925-G1930 VanDerWaalsContact O-CA 3.26Å; C1925-G1930 WeakPolarHBondContact O-CA 3.35Å; C1925-G1930 PolarHBondContact O-N 3.06Å; Y1928-G1930 VanDerWaalsContact C-N 3.32Å; Y1928-G1930 PolarHBondContact O-N 3.07Å; G1930-F1932 PolarHBondContact O-N 3.16Å; G1930-L1933 PolarHBondContact O-N 3.22Å; G1930-L1934 WeakPolarHBondContact O-CB 3.4Å; G1930-L1934 WeakPolarHBondContact O-CD1 3.41Å; G1930-L1934 WeakPolarHBondContact O-CG 3.42Å; G1930-L1934 PolarHBondContact O-N 3.17Å |
| 1931 | L | 95 | Very high | 93.3 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.4 | -48.9 | 175.9 | -179.7 | 59.4 | 0 | 0 | 0 | 112.3 | Y1926 G1929 L1934 L1935 I1973 M1976 A2002 L2003 L2006 | Y1926-L1931 HydrophobicContact CD2-CB 4.05Å; Y1926-L1931 HydrophobicContact CD2-CD2 4.35Å; Y1926-L1931 HydrophobicContact CE2-CB 4.19Å; Y1926-L1931 HydrophobicContact CE2-CD2 3.76Å; G1929-L1931 PolarHBondContact O-N 3.19Å; L1931-L1934 PolarHBondContact O-N 3.27Å; L1931-L1935 HydrophobicContact CD1-CD1 3.83Å; L1931-L1935 HydrophobicContact CD1-CG 3.99Å; L1931-L1935 HydrophobicContact CG-CD1 3.88Å; L1931-L1935 HydrophobicContact CG-CG 4.43Å; L1931-L1935 WeakPolarHBondContact O-CB 3.43Å; L1931-L1935 WeakPolarHBondContact O-CG 3.43Å; L1931-L1935 PolarHBondContact O-N 3.29Å; L1931-I1973 HydrophobicContact CD1-CD1 4.33Å; L1931-I1973 HydrophobicContact CD1-CG1 4.21Å; L1931-I1973 HydrophobicContact CD1-CG2 4.02Å; L1931-M1976 HydrophobicContact CB-CE 3.72Å; L1931-M1976 HydrophobicContact CB-SD 4.32Å; L1931-M1976 HydrophobicContact CD1-CE 3.6Å; L1931-M1976 HydrophobicContact CG-CE 4.18Å; L1931-A2002 HydrophobicContact CD2-CB 4.16Å; L1931-L2003 HydrophobicContact CD1-CD2 3.71Å; L1931-L2003 HydrophobicContact CD1-CG 4.26Å; L1931-L2003 HydrophobicContact CD2-CD2 4.42Å; L1931-L2003 HydrophobicContact CD2-CG 4.44Å; L1931-L2006 HydrophobicContact CD2-CD1 3.9Å; L1931-L2006 HydrophobicContact CG-CD1 4.44Å |
| 1932 | F | 95.1 | Very high | 93.4 | Very high | 3.25 Ų | 3.25 | 15.9 Ų | 15.9 | 1% | 0.014 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64.8 | -44.1 | -179.8 | -61.8 | -69.2 | 0 | 0 | 0 | 111.8 | G1929 G1930 L1934 L1935 Q1936 L2006 L2081 I2082 Q2085 V2086 C2095 L2097 V2100 | G1929-F1932 PolarHBondContact O-N 3.27Å; G1929-F1932 VanDerWaalsContact O-N 3.16Å; G1930-F1932 PolarHBondContact O-N 3.16Å; F1932-L1934 VanDerWaalsContact C-N 3.33Å; F1932-L1934 PolarHBondContact O-N 3.22Å; F1932-L1935 PolarHBondContact O-N 3.04Å; F1932-Q1936 WeakPolarHBondContact O-CB 3.15Å; F1932-Q1936 PolarHBondContact O-N 3.32Å; F1932-L2006 HydrophobicContact CE1-CD1 3.94Å; F1932-L2006 HydrophobicContact CE1-CD2 4.29Å; F1932-L2081 HydrophobicContact CD1-CD2 3.91Å; F1932-L2081 HydrophobicContact CE1-CD2 3.33Å; F1932-L2081 HydrophobicContact CZ-CD2 4.16Å; F1932-I2082 HydrophobicContact CB-CG2 4.48Å; F1932-I2082 HydrophobicContact CD1-CG1 4.15Å; F1932-I2082 WeakPolarHBondContact O-CG2 3.26Å; F1932-Q2085 HydrophobicContact CB-CB 4.45Å; F1932-Q2085 HydrophobicContact CD1-CB 4.19Å; F1932-Q2085 HydrophobicContact CD1-CG 4.25Å; F1932-Q2085 HydrophobicContact CD2-CB 4.04Å; F1932-Q2085 HydrophobicContact CD2-CG 4.37Å; F1932-Q2085 HydrophobicContact CE1-CB 4.46Å; F1932-Q2085 HydrophobicContact CE1-CG 4.05Å; F1932-Q2085 HydrophobicContact CE2-CB 4.32Å; F1932-Q2085 HydrophobicContact CE2-CG 4.16Å; F1932-Q2085 HydrophobicContact CG-CB 3.96Å; F1932-Q2085 HydrophobicContact CG-CG 4.4Å; F1932-Q2085 HydrophobicContact CZ-CB 4.41Å; F1932-Q2085 HydrophobicContact CZ-CG 3.97Å; F1932-V2086 HydrophobicContact CB-CG2 4.36Å; F1932-C2095 WeakPolarHBondContact CD2-SG 3.12Å; F1932-C2095 WeakPolarHBondContact CE2-SG 3.41Å; F1932-L2097 HydrophobicContact CE2-CD2 4.29Å; F1932-V2100 HydrophobicContact CE1-CG2 4.12Å; F1932-V2100 HydrophobicContact CE2-CG2 4.41Å; F1932-V2100 HydrophobicContact CZ-CG2 3.53Å; F1932-V2100 VanDerWaalsContact CZ-CG2 3.45Å |
| 1933 | L | 95.6 | Very high | 93.4 | Very high | 0.25 Ų | 0.25 | 17.8 Ų | 17.8 | 0% | 0.001 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.6 | -42.4 | 178.7 | -73 | 166.1 | 0 | 0 | 0 | 112 | L1893 L1896 G1929 G1930 H1937 V2086 L2089 | L1893-L1933 HydrophobicContact CB-CD1 3.89Å; L1893-L1933 WeakPolarHBondContact O-CD1 3.38Å; L1896-L1933 HydrophobicContact CB-CB 4.11Å; L1896-L1933 HydrophobicContact CB-CD2 4.37Å; L1896-L1933 HydrophobicContact CD1-CB 3.9Å; G1929-L1933 PolarHBondContact O-N 3.17Å; G1930-L1933 PolarHBondContact O-N 3.22Å; L1933-H1937 PolarHBondContact O-CD2 3.24Å; L1933-V2086 HydrophobicContact CD2-CG1 4.06Å; L1933-V2086 HydrophobicContact CD2-CG2 3.94Å; L1933-V2086 HydrophobicContact CG-CG2 4.42Å; L1933-L2089 HydrophobicContact CD1-CD2 3.68Å; L1933-L2089 HydrophobicContact CG-CD2 4.16Å |
| 1934 | L | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -71 | -45.6 | 178.1 | -66.6 | 168.9 | 0 | 0 | 0 | 111.4 | L1896 A1909 V1912 G1930 L1931 F1932 Q1936 H1937 V1938 S1969 A1972 I1973 M1976 | L1896-L1934 HydrophobicContact CD1-CD2 3.71Å; L1896-L1934 HydrophobicContact CD1-CG 4.13Å; A1909-L1934 HydrophobicContact CB-CD2 4.27Å; V1912-L1934 HydrophobicContact CG1-CD1 4.05Å; G1930-L1934 WeakPolarHBondContact O-CB 3.4Å; G1930-L1934 WeakPolarHBondContact O-CD1 3.41Å; G1930-L1934 WeakPolarHBondContact O-CG 3.42Å; G1930-L1934 PolarHBondContact O-N 3.17Å; L1931-L1934 PolarHBondContact O-N 3.27Å; F1932-L1934 VanDerWaalsContact C-N 3.33Å; F1932-L1934 PolarHBondContact O-N 3.22Å; L1934-Q1936 PolarHBondContact O-N 2.99Å; L1934-H1937 PolarHBondContact O-N 3.12Å; L1934-V1938 WeakPolarHBondContact O-CG2 3.34Å; L1934-V1938 PolarHBondContact O-N 3.21Å; L1934-S1969 WeakPolarHBondContact O-CB 3.41Å; L1934-A1972 HydrophobicContact CD1-CB 3.77Å; L1934-A1972 HydrophobicContact CD2-CB 3.97Å; L1934-A1972 HydrophobicContact CG-CB 4.49Å; L1934-I1973 HydrophobicContact CB-CD1 3.83Å; L1934-I1973 HydrophobicContact CB-CG1 3.66Å; L1934-I1973 HydrophobicContact CD1-CG1 3.89Å; L1934-I1973 HydrophobicContact CG-CG1 4.44Å; L1934-M1976 HydrophobicContact CD1-CE 3.78Å |
| 1935 | L | 96.2 | Very high | 93.4 | Very high | 1.25 Ų | 1.25 | 21 Ų | 21 | 1% | 0.007 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.9 | -37.8 | 178.2 | -80.4 | 173.4 | 0 | 0 | 0 | 111.9 | L1931 F1932 H1937 V1938 L1939 I1973 L2003 L2006 L2007 I2082 | L1931-L1935 HydrophobicContact CD1-CD1 3.83Å; L1931-L1935 HydrophobicContact CD1-CG 3.99Å; L1931-L1935 HydrophobicContact CG-CD1 3.88Å; L1931-L1935 HydrophobicContact CG-CG 4.43Å; L1931-L1935 WeakPolarHBondContact O-CB 3.43Å; L1931-L1935 WeakPolarHBondContact O-CG 3.43Å; L1931-L1935 PolarHBondContact O-N 3.29Å; F1932-L1935 PolarHBondContact O-N 3.04Å; L1935-H1937 PolarHBondContact O-N 3.22Å; L1935-V1938 PolarHBondContact O-N 3.33Å; L1935-V1938 VanDerWaalsContact O-N 3.12Å; L1935-L1939 WeakPolarHBondContact O-CG 3.04Å; L1935-L1939 PolarHBondContact O-N 3.15Å; L1935-L1939 VanDerWaalsContact O-N 3.14Å; L1935-I1973 HydrophobicContact CD2-CD1 3.71Å; L1935-I1973 HydrophobicContact CG-CD1 3.83Å; L1935-L2003 HydrophobicContact CD1-CD2 4.48Å; L1935-L2003 HydrophobicContact CD2-CD2 4.48Å; L1935-L2006 HydrophobicContact CD1-CD1 3.98Å; L1935-L2007 HydrophobicContact CD2-CD1 4.24Å; L1935-L2007 HydrophobicContact CD2-CD2 4.3Å; L1935-L2007 HydrophobicContact CD2-CG 4.49Å; L1935-I2082 HydrophobicContact CB-CD1 3.69Å |
| 1936 | Q | 94.9 | Very high | 92.8 | Very high | 17 Ų | 17 | 23.9 Ų | 23.9 | 8% | 0.079 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -54.7 | -36.8 | 175.9 | -158.7 | -178.9 | 31.1 | 0 | 0 | 112.5 | K1899 F1932 L1934 S1940 I2082 D2083 | K1899-Q1936 VanDerWaalsContact CE-NE2 3.33Å; K1899-Q1936 VanDerWaalsContact NZ-CD 3.28Å; F1932-Q1936 WeakPolarHBondContact O-CB 3.15Å; F1932-Q1936 PolarHBondContact O-N 3.32Å; L1934-Q1936 PolarHBondContact O-N 2.99Å; Q1936-S1940 PolarHBondContact O-OG 3.13Å; Q1936-I2082 HydrophobicContact CB-CG2 3.68Å; Q1936-I2082 HydrophobicContact CG-CG2 3.84Å; Q1936-D2083 PolarHBondContact NE2-OD1 3.13Å |
| 1937 | H | 96 | Very high | 92.5 | Very high | 9.5 Ų | 9.5 | 29.4 Ų | 29.4 | 4% | 0.044 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -83.7 | -33.2 | 178.1 | -67.3 | -61.9 | 0 | 0 | 0 | 112.7 | L1896 L1933 L1934 L1935 L1939 S1940 L1965 A1966 S1969 | L1896-H1937 PolarHBondContact O-CE1 3.14Å; L1896-H1937 PolarHBondContact O-NE2 3.06Å; L1933-H1937 PolarHBondContact O-CD2 3.24Å; L1934-H1937 PolarHBondContact O-N 3.12Å; L1935-H1937 PolarHBondContact O-N 3.22Å; H1937-L1939 VanDerWaalsContact C-N 3.29Å; H1937-L1939 PolarHBondContact O-N 3.08Å; H1937-S1940 WeakPolarHBondContact O-CB 3.43Å; H1937-S1940 PolarHBondContact O-N 2.92Å; H1937-S1940 VanDerWaalsContact O-N 3.13Å; H1937-L1965 HydrophobicContact CB-CD2 4.33Å; H1937-L1965 HydrophobicContact CB-CG 4.02Å; H1937-L1965 WeakPolarHBondContact ND1-CD2 3.35Å; H1937-A1966 WeakPolarHBondContact O-CB 3.37Å; H1937-S1969 WeakPolarHBondContact CB-OG 3.46Å |
| 1938 | V | 96.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.4 | -42 | 176.2 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | L1934 L1935 S1940 Y1941 L1970 I1973 L2059 | L1934-V1938 WeakPolarHBondContact O-CG2 3.34Å; L1934-V1938 PolarHBondContact O-N 3.21Å; L1935-V1938 PolarHBondContact O-N 3.33Å; L1935-V1938 VanDerWaalsContact O-N 3.12Å; V1938-S1940 PolarHBondContact O-N 3.28Å; V1938-Y1941 WeakPolarHBondContact O-CB 3.26Å; V1938-Y1941 PolarHBondContact O-N 3.17Å; V1938-L1970 HydrophobicContact CG1-CB 4.39Å; V1938-L1970 HydrophobicContact CG1-CD1 4.22Å; V1938-L1970 HydrophobicContact CG2-CB 3.86Å; V1938-L1970 HydrophobicContact CG2-CD1 4.45Å; V1938-I1973 HydrophobicContact CG2-CD1 3.85Å; V1938-L2059 HydrophobicContact CG1-CD1 3.73Å |
| 1939 | L | 94.5 | Very high | 91.7 | Very high | 15.25 Ų | 15.25 | 29.9 Ų | 29.9 | 8% | 0.08 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -12.3 | -179.6 | -63.4 | 177.1 | 0 | 0 | 0 | 113.8 | L1935 H1937 Y1941 W2070 R2075 L2078 E2079 I2082 | L1935-L1939 WeakPolarHBondContact O-CG 3.04Å; L1935-L1939 PolarHBondContact O-N 3.15Å; L1935-L1939 VanDerWaalsContact O-N 3.14Å; H1937-L1939 VanDerWaalsContact C-N 3.29Å; H1937-L1939 PolarHBondContact O-N 3.08Å; L1939-Y1941 VanDerWaalsContact C-N 3.29Å; L1939-Y1941 PolarHBondContact O-N 3.33Å; L1939-W2070 HydrophobicContact CD2-CZ2 4.41Å; L1939-R2075 HydrophobicContact CD2-CG 4.1Å; L1939-L2078 HydrophobicContact CD1-CD2 4.11Å; L1939-L2078 HydrophobicContact CD1-CG 4.4Å; L1939-E2079 HydrophobicContact CD1-CG 3.61Å; L1939-I2082 HydrophobicContact CD1-CD1 4.09Å |
| 1940 | S | 92.9 | Very high | 91.2 | Very high | 57.75 Ų | 57.75 | 34.5 Ų | 34.5 | 40% | 0.404 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 4.9 | 176.1 | -57.1 | 0 | 0 | 0 | 0 | 113.6 | Q1936 H1937 V1938 D1942 Q1959 | Q1936-S1940 PolarHBondContact O-OG 3.13Å; H1937-S1940 WeakPolarHBondContact O-CB 3.43Å; H1937-S1940 PolarHBondContact O-N 2.92Å; H1937-S1940 VanDerWaalsContact O-N 3.13Å; V1938-S1940 PolarHBondContact O-N 3.28Å; S1940-D1942 PolarHBondContact O-N 3.45Å; S1940-Q1959 PolarHBondContact O-NE2 2.91Å |
| 1941 | Y | 94.7 | Very high | 90.5 | Very high | 9.75 Ų | 9.75 | 43.9 Ų | 43.9 | 4% | 0.038 | 26% | 0.255 | C | S | . | . | trans | -70.5 | 125.7 | 178.5 | -175.9 | -108.5 | 0 | 0 | 0 | 111.9 | V1938 L1939 F1943 E1946 N1963 A1966 L1967 R2053 A2056 K2057 T2060 | V1938-Y1941 WeakPolarHBondContact O-CB 3.26Å; V1938-Y1941 PolarHBondContact O-N 3.17Å; L1939-Y1941 VanDerWaalsContact C-N 3.29Å; L1939-Y1941 PolarHBondContact O-N 3.33Å; Y1941-F1943 HydrophobicContact CD1-CB 4.33Å; Y1941-F1943 HydrophobicContact CE1-CB 3.67Å; Y1941-E1946 PolarHBondContact OH-OE2 3.21Å; Y1941-N1963 HydrophobicContact CD2-CB 3.94Å; Y1941-N1963 HydrophobicContact CE2-CB 3.97Å; Y1941-A1966 HydrophobicContact CD2-CB 4.1Å; Y1941-A1966 HydrophobicContact CG-CB 4.37Å; Y1941-L1967 HydrophobicContact CD2-CD2 4.29Å; Y1941-L1967 HydrophobicContact CD2-CG 4.24Å; Y1941-L1967 HydrophobicContact CE2-CD1 4.11Å; Y1941-L1967 HydrophobicContact CE2-CD2 3.86Å; Y1941-L1967 HydrophobicContact CE2-CG 3.89Å; Y1941-R2053 WeakPolarHBondContact OH-CG 3.48Å; Y1941-A2056 HydrophobicContact CD1-CB 3.47Å; Y1941-A2056 VanDerWaalsContact CD1-CB 3.45Å; Y1941-A2056 HydrophobicContact CD2-CB 4.23Å; Y1941-A2056 HydrophobicContact CE1-CB 3.66Å; Y1941-A2056 HydrophobicContact CE2-CB 4.44Å; Y1941-A2056 HydrophobicContact CG-CB 3.77Å; Y1941-K2057 HydrophobicContact CE1-CB 4.36Å; Y1941-T2060 WeakPolarHBondContact O-CB 3.39Å; Y1941-T2060 WeakPolarHBondContact O-CG2 3.3Å; Y1941-T2060 PolarHBondContact O-OG1 2.64Å; Y1941-T2060 VanDerWaalsContact O-OG1 3.11Å | ||
| 1942 | D | 93.5 | Very high | 89.7 | Confident | 54.25 Ų | 54.25 | 47.2 Ų | 47.2 | 29% | 0.29 | 27% | 0.273 | S | S | . | . | trans | -114.7 | 99.1 | 174.5 | -177.3 | 2.7 | 0 | 0 | 0 | 110.5 | S1940 T1944 Q1959 N1963 | S1940-D1942 PolarHBondContact O-N 3.45Å; D1942-T1944 VanDerWaalsContact CG-OG1 3.31Å; D1942-T1944 PolarHBondContact O-N 3.18Å; D1942-T1944 VanDerWaalsContact OD1-CB 3.32Å; D1942-T1944 WeakPolarHBondContact OD1-CB 3.37Å; D1942-T1944 WeakPolarHBondContact OD1-CG2 3.43Å; D1942-T1944 PolarHBondContact OD1-N 3.04Å; D1942-T1944 PolarHBondContact OD1-OG1 3.18Å; D1942-T1944 PolarHBondContact OD2-OG1 3.22Å; D1942-Q1959 HydrophobicContact CB-CG 4.11Å; D1942-N1963 PolarHBondContact N-OD1 2.95Å; D1942-N1963 PolarHBondContact O-ND2 3.17Å; D1942-N1963 PolarHBondContact O-OD1 3.27Å | ||
| 1943 | F | 90.1 | Very high | 88.9 | Confident | 41.5 Ų | 41.5 | 50.8 Ų | 50.8 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.6 | -20.9 | 178.4 | 69.5 | -88.2 | 0 | 0 | 0 | 113.1 | Y1941 L1945 E1946 E1947 K2057 T2061 | Y1941-F1943 HydrophobicContact CD1-CB 4.33Å; Y1941-F1943 HydrophobicContact CE1-CB 3.67Å; F1943-L1945 VanDerWaalsContact C-N 3.25Å; F1943-L1945 PolarHBondContact O-N 3.18Å; F1943-E1946 PolarHBondContact O-N 3.1Å; F1943-E1947 WeakPolarHBondContact CD2-OE2 3.41Å; F1943-E1947 PolarHBondContact O-N 2.9Å; F1943-E1947 VanDerWaalsContact O-N 3.17Å; F1943-K2057 HydrophobicContact CB-CB 4.2Å; F1943-K2057 HydrophobicContact CB-CD 4.22Å; F1943-K2057 HydrophobicContact CB-CG 4.06Å; F1943-K2057 HydrophobicContact CD1-CG 3.94Å; F1943-K2057 HydrophobicContact CD2-CD 3.9Å; F1943-K2057 VanDerWaalsContact CD2-CE 3.48Å; F1943-K2057 HydrophobicContact CD2-CG 4.15Å; F1943-K2057 HydrophobicContact CE1-CG 4.41Å; F1943-K2057 HydrophobicContact CE2-CD 4.44Å; F1943-K2057 HydrophobicContact CG-CB 4.41Å; F1943-K2057 HydrophobicContact CG-CD 3.98Å; F1943-K2057 HydrophobicContact CG-CG 3.77Å; F1943-T2061 HydrophobicContact CD1-CG2 4.01Å; F1943-T2061 HydrophobicContact CE1-CG2 3.31Å; F1943-T2061 HydrophobicContact CE2-CG2 4.45Å; F1943-T2061 HydrophobicContact CZ-CG2 3.63Å |
| 1944 | T | 91.3 | Very high | 88.1 | Confident | 71.25 Ų | 71.25 | 53.6 Ų | 53.6 | 44% | 0.437 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.2 | -27.1 | -175 | 69.9 | 0 | 0 | 0 | 0 | 112 | D1942 E1946 E1947 A1948 | D1942-T1944 VanDerWaalsContact CG-OG1 3.31Å; D1942-T1944 PolarHBondContact O-N 3.18Å; D1942-T1944 VanDerWaalsContact OD1-CB 3.32Å; D1942-T1944 WeakPolarHBondContact OD1-CB 3.37Å; D1942-T1944 WeakPolarHBondContact OD1-CG2 3.43Å; D1942-T1944 PolarHBondContact OD1-N 3.04Å; D1942-T1944 PolarHBondContact OD1-OG1 3.18Å; D1942-T1944 PolarHBondContact OD2-OG1 3.22Å; T1944-E1946 PolarHBondContact O-N 2.77Å; T1944-E1947 PolarHBondContact O-N 3.36Å; T1944-A1948 WeakPolarHBondContact O-CB 3.27Å; T1944-A1948 PolarHBondContact O-N 3.38Å |
| 1945 | L | 86.7 | Confident | 87.2 | Confident | 25.25 Ų | 25.25 | 61.4 Ų | 61.4 | 13% | 0.132 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 175.2 | -177.9 | 63.9 | 0 | 0 | 0 | 112.4 | F1943 V1950 I1952 N1957 Q1959 V1960 | F1943-L1945 VanDerWaalsContact C-N 3.25Å; F1943-L1945 PolarHBondContact O-N 3.18Å; L1945-V1950 HydrophobicContact CD1-CG2 4.48Å; L1945-I1952 HydrophobicContact CD1-CG2 3.8Å; L1945-I1952 HydrophobicContact CD2-CG2 4.41Å; L1945-I1952 HydrophobicContact CG-CG2 3.99Å; L1945-N1957 WeakPolarHBondContact CD1-ND2 3.18Å; L1945-Q1959 HydrophobicContact CD2-CB 3.85Å; L1945-Q1959 HydrophobicContact CD2-CG 3.83Å; L1945-V1960 HydrophobicContact CD2-CG2 3.79Å |
| 1946 | E | 80.2 | Confident | 86.4 | Confident | 61.25 Ų | 61.25 | 66.9 Ų | 66.9 | 29% | 0.286 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -73.5 | -32.6 | 178 | -66.2 | -171.1 | 151 | 0 | 0 | 111.6 | Y1941 F1943 T1944 A1948 R2053 | Y1941-E1946 PolarHBondContact OH-OE2 3.21Å; F1943-E1946 PolarHBondContact O-N 3.1Å; T1944-E1946 PolarHBondContact O-N 2.77Å; E1946-A1948 VanDerWaalsContact C-N 3.35Å; E1946-R2053 VanDerWaalsContact CD-NE 3.29Å; E1946-R2053 IonicContact OE1-CZ 3.13Å; E1946-R2053 IonicContact OE1-NE 3.21Å; E1946-R2053 PolarHBondContact OE1-NE 3.09Å; E1946-R2053 IonicContact OE1-NH2 3.54Å; E1946-R2053 PolarHBondContact OE1-NH2 3.32Å; E1946-R2053 VanDerWaalsContact OE1-NH2 3.08Å; E1946-R2053 VanDerWaalsContact OE2-CD 3.24Å; E1946-R2053 WeakPolarHBondContact OE2-CD 3.42Å; E1946-R2053 IonicContact OE2-CZ 3.58Å; E1946-R2053 IonicContact OE2-NE 3.08Å; E1946-R2053 PolarHBondContact OE2-NE 3.27Å; E1946-R2053 VanDerWaalsContact OE2-NE 3.15Å |
| 1947 | E | 86.3 | Confident | 85.9 | Confident | 121.25 Ų | 121.25 | 68.4 Ų | 68.4 | 57% | 0.567 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -82.3 | -13.2 | 178.3 | -67.4 | -175.3 | 170 | 0 | 0 | 113.8 | F1943 T1944 G1949 K2057 | F1943-E1947 WeakPolarHBondContact CD2-OE2 3.41Å; F1943-E1947 PolarHBondContact O-N 2.9Å; F1943-E1947 VanDerWaalsContact O-N 3.17Å; T1944-E1947 PolarHBondContact O-N 3.36Å; E1947-G1949 PolarHBondContact O-N 3.21Å; E1947-G1949 VanDerWaalsContact O-N 3.17Å; E1947-K2057 VanDerWaalsContact CD-NZ 3.29Å; E1947-K2057 IonicContact OE1-NZ 3.44Å; E1947-K2057 PolarHBondContact OE1-NZ 3.34Å; E1947-K2057 IonicContact OE2-NZ 2.98Å; E1947-K2057 PolarHBondContact OE2-NZ 3.02Å; E1947-K2057 VanDerWaalsContact OE2-NZ 3.17Å |
| 1948 | A | 84.3 | Confident | 85.5 | Confident | 61.5 Ų | 61.5 | 72.6 Ų | 72.6 | 51% | 0.508 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -18 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1944 E1946 V1950 | T1944-A1948 WeakPolarHBondContact O-CB 3.27Å; T1944-A1948 PolarHBondContact O-N 3.38Å; E1946-A1948 VanDerWaalsContact C-N 3.35Å; A1948-V1950 VanDerWaalsContact C-N 3.26Å; A1948-V1950 HydrophobicContact CB-CG1 4.5Å; A1948-V1950 HydrophobicContact CB-CG2 4.08Å; A1948-V1950 PolarHBondContact O-N 3.29Å |
| 1949 | G | 78.5 | Confident | 85.2 | Confident | 74.75 Ų | 74.75 | 75.1 Ų | 75.1 | 77% | 0.771 | 43% | 0.426 | S | S | * | . | trans | 68.6 | 18.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E1947 | E1947-G1949 PolarHBondContact O-N 3.21Å; E1947-G1949 VanDerWaalsContact O-N 3.17Å | ||
| 1950 | V | 82.1 | Confident | 85 | Confident | 97 Ų | 97 | 75.4 Ų | 75.4 | 59% | 0.588 | 43% | 0.428 | S | S | * | . | trans | -93.3 | 146.6 | 178.3 | -155.8 | 0 | 0 | 0 | 0 | 109.9 | L1945 A1948 I1952 | L1945-V1950 HydrophobicContact CD1-CG2 4.48Å; A1948-V1950 VanDerWaalsContact C-N 3.26Å; A1948-V1950 HydrophobicContact CB-CG1 4.5Å; A1948-V1950 HydrophobicContact CB-CG2 4.08Å; A1948-V1950 PolarHBondContact O-N 3.29Å; V1950-I1952 HydrophobicContact CG2-CG2 3.93Å; V1950-I1952 PolarHBondContact O-N 3.02Å | ||
| 1951 | E | 78.1 | Confident | 84.8 | Confident | 197.25 Ų | 197.25 | 73.2 Ų | 73.2 | 92% | 0.922 | 41% | 0.412 | S | S | * | . | trans | -65 | 123.3 | 170.5 | -70.5 | -175.9 | 174 | 0 | 0 | 110.2 | ||||
| 1952 | I | 78.7 | Confident | 84.7 | Confident | 71.5 Ų | 71.5 | 73.9 Ų | 73.9 | 37% | 0.367 | 42% | 0.419 | S | S | . | . | trans | -116.1 | 138.9 | -176.8 | 55.6 | 172.5 | 0 | 0 | 0 | 110.8 | L1945 V1950 V1960 | L1945-I1952 HydrophobicContact CD1-CG2 3.8Å; L1945-I1952 HydrophobicContact CD2-CG2 4.41Å; L1945-I1952 HydrophobicContact CG-CG2 3.99Å; V1950-I1952 HydrophobicContact CG2-CG2 3.93Å; V1950-I1952 PolarHBondContact O-N 3.02Å; I1952-V1960 HydrophobicContact CB-CG2 3.71Å; I1952-V1960 HydrophobicContact CD1-CG1 4.4Å; I1952-V1960 HydrophobicContact CD1-CG2 4.27Å; I1952-V1960 HydrophobicContact CG1-CG2 4.41Å; I1952-V1960 HydrophobicContact CG2-CG2 4.27Å | ||
| 1953 | N | 78.9 | Confident | 84.6 | Confident | 78.25 Ų | 78.25 | 71.5 Ų | 71.5 | 42% | 0.418 | 41% | 0.407 | S | S | . | . | trans | -135.6 | 138.7 | 176.2 | -175.9 | -8.9 | 0 | 0 | 0 | 109.7 | E1955 T1956 N1957 | N1953-E1955 PolarHBondContact O-N 3.15Å; N1953-E1955 PolarHBondContact OD1-N 3.24Å; N1953-E1955 VanDerWaalsContact OD1-N 3.12Å; N1953-T1956 PolarHBondContact O-N 3.13Å; N1953-T1956 PolarHBondContact O-OG1 3.32Å; N1953-N1957 PolarHBondContact O-N 3.17Å; N1953-N1957 VanDerWaalsContact O-N 3.12Å | ||
| 1954 | E | 79.1 | Confident | 84.7 | Confident | 60 Ų | 60 | 73 Ų | 73 | 28% | 0.28 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -25.7 | 177.4 | -68.5 | -171.1 | 168.6 | 0 | 0 | 113.2 | V1960 L1961 R1964 | E1954-V1960 HydrophobicContact CG-CG1 3.87Å; E1954-L1961 HydrophobicContact CB-CD1 4.47Å; E1954-L1961 HydrophobicContact CB-CD2 4.03Å; E1954-L1961 HydrophobicContact CB-CG 3.99Å; E1954-L1961 VanDerWaalsContact CD-CD2 3.5Å; E1954-L1961 HydrophobicContact CG-CD2 3.89Å; E1954-L1961 HydrophobicContact CG-CG 4.14Å; E1954-L1961 WeakPolarHBondContact O-CD1 3.46Å; E1954-R1964 VanDerWaalsContact OE1-CD 3.31Å; E1954-R1964 WeakPolarHBondContact OE1-CD 3.39Å; E1954-R1964 IonicContact OE1-CZ 3.52Å; E1954-R1964 IonicContact OE1-NE 3.44Å; E1954-R1964 IonicContact OE1-NH1 3.09Å; E1954-R1964 PolarHBondContact OE1-NH1 3.02Å; E1954-R1964 IonicContact OE2-NH1 3.59Å; E1954-R1964 PolarHBondContact OE2-NH1 3.35Å |
| 1955 | E | 76.7 | Confident | 84.9 | Confident | 162.75 Ų | 162.75 | 69.9 Ų | 69.9 | 76% | 0.761 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -31.5 | 179.9 | -64.6 | -173.1 | 165.6 | 0 | 0 | 113.2 | N1953 | N1953-E1955 PolarHBondContact O-N 3.15Å; N1953-E1955 PolarHBondContact OD1-N 3.24Å; N1953-E1955 VanDerWaalsContact OD1-N 3.12Å |
| 1956 | T | 79.8 | Confident | 85.3 | Confident | 117 Ų | 117 | 68.7 Ų | 68.7 | 72% | 0.718 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -19.3 | -174.4 | 58.4 | 0 | 0 | 0 | 0 | 113.3 | N1953 | N1953-T1956 PolarHBondContact O-N 3.13Å; N1953-T1956 PolarHBondContact O-OG1 3.32Å |
| 1957 | N | 84.4 | Confident | 85.9 | Confident | 47.5 Ų | 47.5 | 66 Ų | 66 | 25% | 0.254 | 37% | 0.373 | S | S | . | . | trans | -135.4 | 112.7 | -175 | -174.1 | -15.2 | 0 | 0 | 0 | 112 | L1945 N1953 Q1959 V1960 | L1945-N1957 WeakPolarHBondContact CD1-ND2 3.18Å; N1953-N1957 PolarHBondContact O-N 3.17Å; N1953-N1957 VanDerWaalsContact O-N 3.12Å; N1957-Q1959 VanDerWaalsContact C-N 3.26Å; N1957-Q1959 PolarHBondContact O-N 3.25Å; N1957-Q1959 VanDerWaalsContact OD1-CB 3.28Å; N1957-Q1959 WeakPolarHBondContact OD1-CB 3.41Å; N1957-Q1959 PolarHBondContact OD1-N 3.18Å; N1957-V1960 HydrophobicContact CB-CG2 3.81Å; N1957-V1960 WeakPolarHBondContact O-CB 3.44Å; N1957-V1960 PolarHBondContact O-N 3.28Å | ||
| 1958 | S | 87.5 | Confident | 86.3 | Confident | 97.75 Ų | 97.75 | 60.3 Ų | 60.3 | 68% | 0.684 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.6 | -28.3 | 178.9 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | V1960 L1961 A1962 | S1958-V1960 VanDerWaalsContact C-N 3.28Å; S1958-V1960 PolarHBondContact O-N 3.3Å; S1958-L1961 PolarHBondContact O-N 3.1Å; S1958-A1962 PolarHBondContact O-N 3.02Å; S1958-A1962 VanDerWaalsContact O-N 3.1Å |
| 1959 | Q | 91.5 | Very high | 86.8 | Confident | 55 Ų | 55 | 57.4 Ų | 57.4 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.8 | -28 | 179.9 | -170.6 | 60.8 | 40.6 | 0 | 0 | 111.9 | S1940 D1942 L1945 N1957 L1961 A1962 N1963 | S1940-Q1959 PolarHBondContact O-NE2 2.91Å; D1942-Q1959 HydrophobicContact CB-CG 4.11Å; L1945-Q1959 HydrophobicContact CD2-CB 3.85Å; L1945-Q1959 HydrophobicContact CD2-CG 3.83Å; N1957-Q1959 VanDerWaalsContact C-N 3.26Å; N1957-Q1959 PolarHBondContact O-N 3.25Å; N1957-Q1959 VanDerWaalsContact OD1-CB 3.28Å; N1957-Q1959 WeakPolarHBondContact OD1-CB 3.41Å; N1957-Q1959 PolarHBondContact OD1-N 3.18Å; Q1959-L1961 VanDerWaalsContact C-N 3.34Å; Q1959-L1961 PolarHBondContact O-N 3.27Å; Q1959-A1962 PolarHBondContact O-N 3.3Å; Q1959-N1963 PolarHBondContact NE2-OD1 3.13Å; Q1959-N1963 WeakPolarHBondContact O-CB 3.46Å; Q1959-N1963 VanDerWaalsContact O-CG 3.31Å; Q1959-N1963 PolarHBondContact O-N 3.41Å; Q1959-N1963 PolarHBondContact O-OD1 3.18Å |
| 1960 | V | 89.4 | Confident | 87.7 | Confident | 20.5 Ų | 20.5 | 53.8 Ų | 53.8 | 12% | 0.124 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 174.5 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | L1945 I1952 E1954 N1957 S1958 N1963 R1964 | L1945-V1960 HydrophobicContact CD2-CG2 3.79Å; I1952-V1960 HydrophobicContact CB-CG2 3.71Å; I1952-V1960 HydrophobicContact CD1-CG1 4.4Å; I1952-V1960 HydrophobicContact CD1-CG2 4.27Å; I1952-V1960 HydrophobicContact CG1-CG2 4.41Å; I1952-V1960 HydrophobicContact CG2-CG2 4.27Å; E1954-V1960 HydrophobicContact CG-CG1 3.87Å; N1957-V1960 HydrophobicContact CB-CG2 3.81Å; N1957-V1960 WeakPolarHBondContact O-CB 3.44Å; N1957-V1960 PolarHBondContact O-N 3.28Å; S1958-V1960 VanDerWaalsContact C-N 3.28Å; S1958-V1960 PolarHBondContact O-N 3.3Å; V1960-N1963 PolarHBondContact O-N 3.11Å; V1960-R1964 WeakPolarHBondContact O-CB 3.28Å; V1960-R1964 PolarHBondContact O-N 3.14Å |
| 1961 | L | 89.3 | Confident | 88.2 | Confident | 12.5 Ų | 12.5 | 50.2 Ų | 50.2 | 7% | 0.065 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.1 | -38.1 | 176.1 | -76.7 | 169.5 | 0 | 0 | 0 | 112.1 | P1902 K1903 E1954 S1958 Q1959 R1964 L1965 | P1902-L1961 HydrophobicContact CB-CB 4.35Å; P1902-L1961 HydrophobicContact CG-CD1 4.41Å; K1903-L1961 HydrophobicContact CG-CD1 4.05Å; K1903-L1961 HydrophobicContact CG-CD2 3.93Å; E1954-L1961 HydrophobicContact CB-CD1 4.47Å; E1954-L1961 HydrophobicContact CB-CD2 4.03Å; E1954-L1961 HydrophobicContact CB-CG 3.99Å; E1954-L1961 VanDerWaalsContact CD-CD2 3.5Å; E1954-L1961 HydrophobicContact CG-CD2 3.89Å; E1954-L1961 HydrophobicContact CG-CG 4.14Å; E1954-L1961 WeakPolarHBondContact O-CD1 3.46Å; S1958-L1961 PolarHBondContact O-N 3.1Å; Q1959-L1961 VanDerWaalsContact C-N 3.34Å; Q1959-L1961 PolarHBondContact O-N 3.27Å; L1961-R1964 PolarHBondContact O-N 3.36Å; L1961-L1965 WeakPolarHBondContact O-CB 3.39Å; L1961-L1965 PolarHBondContact O-N 3.19Å |
| 1962 | A | 92 | Very high | 88.9 | Confident | 23.75 Ų | 23.75 | 40.8 Ų | 40.8 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1958 Q1959 R1964 L1965 A1966 | S1958-A1962 PolarHBondContact O-N 3.02Å; S1958-A1962 VanDerWaalsContact O-N 3.1Å; Q1959-A1962 PolarHBondContact O-N 3.3Å; A1962-R1964 PolarHBondContact O-N 3.23Å; A1962-L1965 WeakPolarHBondContact O-CB 3.35Å; A1962-L1965 PolarHBondContact O-N 3.22Å; A1962-A1966 WeakPolarHBondContact O-CB 3.35Å; A1962-A1966 PolarHBondContact O-N 3.17Å |
| 1963 | N | 92.4 | Very high | 89.7 | Confident | 4.75 Ų | 4.75 | 37.4 Ų | 37.4 | 3% | 0.025 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.8 | -44.8 | 175.5 | -75.8 | 0.4 | 0 | 0 | 0 | 111.6 | Y1941 D1942 Q1959 V1960 L1965 A1966 L1967 | Y1941-N1963 HydrophobicContact CD2-CB 3.94Å; Y1941-N1963 HydrophobicContact CE2-CB 3.97Å; D1942-N1963 PolarHBondContact N-OD1 2.95Å; D1942-N1963 PolarHBondContact O-ND2 3.17Å; D1942-N1963 PolarHBondContact O-OD1 3.27Å; Q1959-N1963 PolarHBondContact NE2-OD1 3.13Å; Q1959-N1963 WeakPolarHBondContact O-CB 3.46Å; Q1959-N1963 VanDerWaalsContact O-CG 3.31Å; Q1959-N1963 PolarHBondContact O-N 3.41Å; Q1959-N1963 PolarHBondContact O-OD1 3.18Å; V1960-N1963 PolarHBondContact O-N 3.11Å; N1963-L1965 VanDerWaalsContact C-N 3.34Å; N1963-L1965 PolarHBondContact O-N 3.21Å; N1963-A1966 WeakPolarHBondContact O-CB 3.31Å; N1963-A1966 PolarHBondContact O-N 3.23Å; N1963-L1967 VanDerWaalsContact O-CG 3.32Å; N1963-L1967 WeakPolarHBondContact O-CG 3.39Å; N1963-L1967 PolarHBondContact O-N 3.3Å |
| 1964 | R | 91.8 | Very high | 90.4 | Very high | 71.25 Ų | 71.25 | 33.7 Ų | 33.7 | 27% | 0.269 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 175.3 | -176.2 | 175.2 | -179.5 | -164.7 | 0.8 | 111.9 | E1954 V1960 L1961 A1962 A1966 L1967 L1968 H2040 | E1954-R1964 VanDerWaalsContact OE1-CD 3.31Å; E1954-R1964 WeakPolarHBondContact OE1-CD 3.39Å; E1954-R1964 IonicContact OE1-CZ 3.52Å; E1954-R1964 IonicContact OE1-NE 3.44Å; E1954-R1964 IonicContact OE1-NH1 3.09Å; E1954-R1964 PolarHBondContact OE1-NH1 3.02Å; E1954-R1964 IonicContact OE2-NH1 3.59Å; E1954-R1964 PolarHBondContact OE2-NH1 3.35Å; V1960-R1964 WeakPolarHBondContact O-CB 3.28Å; V1960-R1964 PolarHBondContact O-N 3.14Å; L1961-R1964 PolarHBondContact O-N 3.36Å; A1962-R1964 PolarHBondContact O-N 3.23Å; R1964-A1966 VanDerWaalsContact C-N 3.33Å; R1964-A1966 PolarHBondContact O-N 3.12Å; R1964-L1967 PolarHBondContact O-N 3.37Å; R1964-L1968 HydrophobicContact CG-CD1 4.09Å; R1964-L1968 HydrophobicContact CG-CG 4.5Å; R1964-L1968 WeakPolarHBondContact O-CB 3.36Å; R1964-L1968 WeakPolarHBondContact O-CG 3.41Å; R1964-L1968 PolarHBondContact O-N 3.11Å; R1964-H2040 PolarHBondContact NH2-O 3.11Å |
| 1965 | L | 94.3 | Very high | 90.9 | Very high | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.2 | -42.7 | 176.6 | 177.6 | 56.1 | 0 | 0 | 0 | 111.6 | C1905 A1909 H1937 L1961 A1962 N1963 L1967 L1968 S1969 | C1905-L1965 VanDerWaalsContact C-CD1 3.43Å; C1905-L1965 HydrophobicContact CB-CD1 3.59Å; C1905-L1965 HydrophobicContact CB-CD2 3.52Å; C1905-L1965 HydrophobicContact CB-CG 4.22Å; C1905-L1965 WeakPolarHBondContact O-CD1 3.39Å; A1909-L1965 HydrophobicContact CB-CD1 4.24Å; H1937-L1965 HydrophobicContact CB-CD2 4.33Å; H1937-L1965 HydrophobicContact CB-CG 4.02Å; H1937-L1965 WeakPolarHBondContact ND1-CD2 3.35Å; L1961-L1965 WeakPolarHBondContact O-CB 3.39Å; L1961-L1965 PolarHBondContact O-N 3.19Å; A1962-L1965 WeakPolarHBondContact O-CB 3.35Å; A1962-L1965 PolarHBondContact O-N 3.22Å; N1963-L1965 VanDerWaalsContact C-N 3.34Å; N1963-L1965 PolarHBondContact O-N 3.21Å; L1965-L1967 PolarHBondContact O-N 3.46Å; L1965-L1968 PolarHBondContact O-N 3.24Å; L1965-S1969 VanDerWaalsContact O-CB 3.25Å; L1965-S1969 WeakPolarHBondContact O-CB 3.38Å; L1965-S1969 PolarHBondContact O-N 3.06Å; L1965-S1969 PolarHBondContact O-OG 3.29Å |
| 1966 | A | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | H1937 Y1941 A1962 N1963 R1964 S1969 L1970 | H1937-A1966 WeakPolarHBondContact O-CB 3.37Å; Y1941-A1966 HydrophobicContact CD2-CB 4.1Å; Y1941-A1966 HydrophobicContact CG-CB 4.37Å; A1962-A1966 WeakPolarHBondContact O-CB 3.35Å; A1962-A1966 PolarHBondContact O-N 3.17Å; N1963-A1966 WeakPolarHBondContact O-CB 3.31Å; N1963-A1966 PolarHBondContact O-N 3.23Å; R1964-A1966 VanDerWaalsContact C-N 3.33Å; R1964-A1966 PolarHBondContact O-N 3.12Å; A1966-S1969 PolarHBondContact O-N 3.05Å; A1966-L1970 WeakPolarHBondContact O-CB 3.35Å; A1966-L1970 PolarHBondContact O-N 3.02Å |
| 1967 | L | 94 | Very high | 92.2 | Very high | 3.5 Ų | 3.5 | 18.9 Ų | 18.9 | 2% | 0.018 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66 | -42.8 | 177.2 | -65.8 | 174.5 | 0 | 0 | 0 | 112.5 | Y1941 N1963 R1964 L1965 S1969 L1970 W1971 L2044 L2052 R2053 A2056 | Y1941-L1967 HydrophobicContact CD2-CD2 4.29Å; Y1941-L1967 HydrophobicContact CD2-CG 4.24Å; Y1941-L1967 HydrophobicContact CE2-CD1 4.11Å; Y1941-L1967 HydrophobicContact CE2-CD2 3.86Å; Y1941-L1967 HydrophobicContact CE2-CG 3.89Å; N1963-L1967 VanDerWaalsContact O-CG 3.32Å; N1963-L1967 WeakPolarHBondContact O-CG 3.39Å; N1963-L1967 PolarHBondContact O-N 3.3Å; R1964-L1967 PolarHBondContact O-N 3.37Å; L1965-L1967 PolarHBondContact O-N 3.46Å; L1967-S1969 VanDerWaalsContact C-N 3.3Å; L1967-S1969 PolarHBondContact O-N 3.44Å; L1967-L1970 PolarHBondContact O-N 2.98Å; L1967-W1971 WeakPolarHBondContact O-CB 3.38Å; L1967-W1971 PolarHBondContact O-N 3.3Å; L1967-L2044 HydrophobicContact CD1-CD2 3.46Å; L1967-L2044 VanDerWaalsContact CD1-CD2 3.46Å; L1967-L2052 HydrophobicContact CD2-CB 4.21Å; L1967-R2053 HydrophobicContact CD1-CG 4.03Å; L1967-R2053 HydrophobicContact CD2-CG 4.04Å; L1967-A2056 HydrophobicContact CD2-CB 3.82Å |
| 1968 | L | 93.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.1 | -37.1 | 174.1 | -73.4 | 171.1 | 0 | 0 | 0 | 111.7 | C1906 A1909 R1964 L1965 W1971 A1972 H2040 F2042 | C1906-L1968 HydrophobicContact CB-CD1 3.75Å; A1909-L1968 HydrophobicContact CB-CB 3.95Å; R1964-L1968 HydrophobicContact CG-CD1 4.09Å; R1964-L1968 HydrophobicContact CG-CG 4.5Å; R1964-L1968 WeakPolarHBondContact O-CB 3.36Å; R1964-L1968 WeakPolarHBondContact O-CG 3.41Å; R1964-L1968 PolarHBondContact O-N 3.11Å; L1965-L1968 PolarHBondContact O-N 3.24Å; L1968-W1971 HydrophobicContact CD2-CE3 4.25Å; L1968-W1971 PolarHBondContact O-N 3Å; L1968-A1972 WeakPolarHBondContact O-CB 3.35Å; L1968-A1972 PolarHBondContact O-N 3.32Å; L1968-H2040 HydrophobicContact CD2-CB 3.96Å; L1968-F2042 HydrophobicContact CD2-CB 4.02Å; L1968-F2042 HydrophobicContact CD2-CD1 4.48Å; L1968-F2042 HydrophobicContact CD2-CD2 4.01Å; L1968-F2042 HydrophobicContact CD2-CE2 3.81Å; L1968-F2042 VanDerWaalsContact CD2-CE2 3.43Å; L1968-F2042 HydrophobicContact CD2-CG 3.88Å; L1968-F2042 HydrophobicContact CD2-CZ 3.95Å; L1968-F2042 HydrophobicContact CG-CE2 3.87Å |
| 1969 | S | 96.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -68.7 | -43 | 177.7 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | L1934 H1937 L1965 A1966 L1967 W1971 A1972 I1973 | L1934-S1969 WeakPolarHBondContact O-CB 3.41Å; H1937-S1969 WeakPolarHBondContact CB-OG 3.46Å; L1965-S1969 VanDerWaalsContact O-CB 3.25Å; L1965-S1969 WeakPolarHBondContact O-CB 3.38Å; L1965-S1969 PolarHBondContact O-N 3.06Å; L1965-S1969 PolarHBondContact O-OG 3.29Å; A1966-S1969 PolarHBondContact O-N 3.05Å; L1967-S1969 VanDerWaalsContact C-N 3.3Å; L1967-S1969 PolarHBondContact O-N 3.44Å; S1969-W1971 VanDerWaalsContact C-N 3.31Å; S1969-W1971 PolarHBondContact O-N 3.34Å; S1969-A1972 WeakPolarHBondContact O-CB 3.47Å; S1969-A1972 PolarHBondContact O-N 3.17Å; S1969-I1973 WeakPolarHBondContact O-CG1 3.34Å; S1969-I1973 PolarHBondContact O-N 2.99Å |
| 1970 | L | 95.5 | Very high | 91.5 | Very high | 0.25 Ų | 0.25 | 11.8 Ų | 11.8 | 0% | 0.001 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.1 | -40.1 | 174.6 | -176.6 | 59.1 | 0 | 0 | 0 | 111.4 | V1938 A1966 L1967 I1973 G1974 I2015 L2052 L2055 A2056 L2059 | V1938-L1970 HydrophobicContact CG1-CB 4.39Å; V1938-L1970 HydrophobicContact CG1-CD1 4.22Å; V1938-L1970 HydrophobicContact CG2-CB 3.86Å; V1938-L1970 HydrophobicContact CG2-CD1 4.45Å; A1966-L1970 WeakPolarHBondContact O-CB 3.35Å; A1966-L1970 PolarHBondContact O-N 3.02Å; L1967-L1970 PolarHBondContact O-N 2.98Å; L1970-I1973 PolarHBondContact O-N 3.18Å; L1970-G1974 PolarHBondContact O-N 3.07Å; L1970-I2015 HydrophobicContact CD1-CD1 4.22Å; L1970-I2015 HydrophobicContact CD1-CG1 4.09Å; L1970-L2052 HydrophobicContact CB-CD2 4.17Å; L1970-L2052 HydrophobicContact CD2-CD2 3.89Å; L1970-L2052 HydrophobicContact CG-CD2 3.8Å; L1970-L2055 HydrophobicContact CD1-CD2 4.29Å; L1970-L2055 HydrophobicContact CD2-CB 4.04Å; L1970-L2055 HydrophobicContact CD2-CD2 4.11Å; L1970-L2055 HydrophobicContact CD2-CG 4.01Å; L1970-L2055 HydrophobicContact CG-CD2 4.44Å; L1970-A2056 HydrophobicContact CD2-CB 3.93Å; L1970-L2059 HydrophobicContact CD1-CD1 3.82Å; L1970-L2059 HydrophobicContact CD2-CD1 4.27Å |
| 1971 | W | 92.6 | Very high | 90.9 | Very high | 20.75 Ų | 20.75 | 13.4 Ų | 13.4 | 8% | 0.079 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.5 | -43.6 | 173 | 178.9 | 45 | 0 | 0 | 0 | 112 | T1910 A1913 L1967 L1968 S1969 I1973 G1974 R1975 L2018 D2022 F2042 R2048 L2052 | T1910-W1971 HydrophobicContact CG2-CZ3 4.35Å; A1913-W1971 HydrophobicContact CB-CD2 4.1Å; A1913-W1971 HydrophobicContact CB-CE3 3.53Å; A1913-W1971 VanDerWaalsContact CB-CE3 3.44Å; A1913-W1971 HydrophobicContact CB-CH2 3.83Å; A1913-W1971 HydrophobicContact CB-CZ2 4.34Å; A1913-W1971 HydrophobicContact CB-CZ3 3.39Å; A1913-W1971 VanDerWaalsContact CB-CZ3 3.46Å; L1967-W1971 WeakPolarHBondContact O-CB 3.38Å; L1967-W1971 PolarHBondContact O-N 3.3Å; L1968-W1971 HydrophobicContact CD2-CE3 4.25Å; L1968-W1971 PolarHBondContact O-N 3Å; S1969-W1971 VanDerWaalsContact C-N 3.31Å; S1969-W1971 PolarHBondContact O-N 3.34Å; W1971-I1973 VanDerWaalsContact C-N 3.33Å; W1971-I1973 PolarHBondContact O-N 2.97Å; W1971-G1974 PolarHBondContact O-N 3.11Å; W1971-G1974 VanDerWaalsContact O-N 3.16Å; W1971-R1975 HydrophobicContact CD2-CG 4.44Å; W1971-R1975 HydrophobicContact CZ2-CG 4.31Å; W1971-R1975 WeakPolarHBondContact O-CG 3.28Å; W1971-R1975 PolarHBondContact O-N 3.15Å; W1971-L2018 HydrophobicContact CE3-CD2 4.45Å; W1971-L2018 HydrophobicContact CZ3-CB 4.27Å; W1971-D2022 HydrophobicContact CH2-CB 3.97Å; W1971-F2042 HydrophobicContact CB-CE1 4.43Å; W1971-F2042 HydrophobicContact CB-CE2 4.25Å; W1971-F2042 HydrophobicContact CB-CZ 4.04Å; W1971-F2042 HydrophobicContact CD2-CE1 4.31Å; W1971-F2042 AromaticContact CD2-CE2 3.71Å; W1971-F2042 HydrophobicContact CD2-CE2 3.9Å; W1971-F2042 HydrophobicContact CD2-CZ 4.45Å; W1971-F2042 HydrophobicContact CE3-CD2 4.37Å; W1971-F2042 AromaticContact CE3-CE2 3.92Å; W1971-F2042 HydrophobicContact CE3-CE2 4.12Å; W1971-F2042 HydrophobicContact CG-CE1 4.17Å; W1971-F2042 AromaticContact CG-CE2 3.84Å; W1971-F2042 HydrophobicContact CG-CE2 4Å; W1971-F2042 AromaticContact CG-CZ 3.81Å; W1971-F2042 HydrophobicContact CG-CZ 3.98Å; W1971-R2048 HydrophobicContact CZ3-CG 4.3Å; W1971-L2052 HydrophobicContact CB-CD1 4.11Å; W1971-L2052 HydrophobicContact CB-CD2 4.29Å; W1971-L2052 HydrophobicContact CE3-CD1 4.11Å; W1971-L2052 HydrophobicContact CE3-CD2 4.44Å; W1971-L2052 HydrophobicContact CG-CD1 4.42Å |
| 1972 | A | 94 | Very high | 90 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.5 | -39.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1912 A1913 L1934 L1968 S1969 R1975 M1976 | V1912-A1972 HydrophobicContact CB-CB 4.45Å; V1912-A1972 HydrophobicContact CG1-CB 4.4Å; A1913-A1972 HydrophobicContact CB-CB 3.91Å; L1934-A1972 HydrophobicContact CD1-CB 3.77Å; L1934-A1972 HydrophobicContact CD2-CB 3.97Å; L1934-A1972 HydrophobicContact CG-CB 4.49Å; L1968-A1972 WeakPolarHBondContact O-CB 3.35Å; L1968-A1972 PolarHBondContact O-N 3.32Å; S1969-A1972 WeakPolarHBondContact O-CB 3.47Å; S1969-A1972 PolarHBondContact O-N 3.17Å; A1972-R1975 PolarHBondContact O-N 3.34Å; A1972-M1976 WeakPolarHBondContact O-CB 3.36Å; A1972-M1976 PolarHBondContact O-N 3.16Å |
| 1973 | I | 95.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.3 | -46.2 | 172.7 | -64.3 | 169 | 0 | 0 | 0 | 110.4 | L1931 L1934 L1935 V1938 S1969 L1970 W1971 R1975 M1976 V1977 L2003 I2015 | L1931-I1973 HydrophobicContact CD1-CD1 4.33Å; L1931-I1973 HydrophobicContact CD1-CG1 4.21Å; L1931-I1973 HydrophobicContact CD1-CG2 4.02Å; L1934-I1973 HydrophobicContact CB-CD1 3.83Å; L1934-I1973 HydrophobicContact CB-CG1 3.66Å; L1934-I1973 HydrophobicContact CD1-CG1 3.89Å; L1934-I1973 HydrophobicContact CG-CG1 4.44Å; L1935-I1973 HydrophobicContact CD2-CD1 3.71Å; L1935-I1973 HydrophobicContact CG-CD1 3.83Å; V1938-I1973 HydrophobicContact CG2-CD1 3.85Å; S1969-I1973 WeakPolarHBondContact O-CG1 3.34Å; S1969-I1973 PolarHBondContact O-N 2.99Å; L1970-I1973 PolarHBondContact O-N 3.18Å; W1971-I1973 VanDerWaalsContact C-N 3.33Å; W1971-I1973 PolarHBondContact O-N 2.97Å; I1973-R1975 VanDerWaalsContact C-N 3.31Å; I1973-R1975 PolarHBondContact O-N 2.9Å; I1973-M1976 HydrophobicContact CG2-CE 4.43Å; I1973-M1976 WeakPolarHBondContact O-CA 3.41Å; I1973-M1976 VanDerWaalsContact O-CB 3.31Å; I1973-M1976 WeakPolarHBondContact O-CB 3.33Å; I1973-M1976 PolarHBondContact O-N 3.17Å; I1973-M1976 VanDerWaalsContact O-N 3.09Å; I1973-V1977 HydrophobicContact CG2-CG2 4.44Å; I1973-V1977 WeakPolarHBondContact O-CG2 3.42Å; I1973-V1977 PolarHBondContact O-N 3.15Å; I1973-L2003 HydrophobicContact CG2-CD1 3.87Å; I1973-L2003 HydrophobicContact CG2-CD2 4.06Å; I1973-L2003 HydrophobicContact CG2-CG 4.49Å; I1973-I2015 HydrophobicContact CG2-CD1 4.5Å; I1973-I2015 HydrophobicContact CG2-CG2 3.97Å |
| 1974 | G | 92.5 | Very high | 86.8 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -56.8 | -44.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1970 W1971 M1976 V1977 N1978 | L1970-G1974 PolarHBondContact O-N 3.07Å; W1971-G1974 PolarHBondContact O-N 3.11Å; W1971-G1974 VanDerWaalsContact O-N 3.16Å; G1974-M1976 VanDerWaalsContact C-N 3.34Å; G1974-M1976 PolarHBondContact O-N 3.14Å; G1974-V1977 PolarHBondContact O-N 3.43Å; G1974-N1978 VanDerWaalsContact O-CB 3.32Å; G1974-N1978 WeakPolarHBondContact O-CB 3.38Å; G1974-N1978 PolarHBondContact O-N 3.25Å; G1974-N1978 VanDerWaalsContact O-N 3.13Å; G1974-N1978 PolarHBondContact O-ND2 3.11Å; G1974-N1978 VanDerWaalsContact O-ND2 3.1Å |
| 1975 | R | 90.5 | Very high | 84.8 | Confident | 24.75 Ų | 24.75 | 27.4 Ų | 27.4 | 9% | 0.093 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.5 | -39 | 173.2 | -67.4 | -63.2 | -64.8 | -146.9 | 18.1 | 112 | A1913 C1916 W1971 A1972 I1973 N1978 G1979 D2022 I2026 | A1913-R1975 HydrophobicContact CB-CG 4.26Å; C1916-R1975 HydrophobicContact CB-CB 3.87Å; C1916-R1975 VanDerWaalsContact O-O 3.07Å; W1971-R1975 HydrophobicContact CD2-CG 4.44Å; W1971-R1975 HydrophobicContact CZ2-CG 4.31Å; W1971-R1975 WeakPolarHBondContact O-CG 3.28Å; W1971-R1975 PolarHBondContact O-N 3.15Å; A1972-R1975 PolarHBondContact O-N 3.34Å; I1973-R1975 VanDerWaalsContact C-N 3.31Å; I1973-R1975 PolarHBondContact O-N 2.9Å; R1975-N1978 PolarHBondContact O-N 3.04Å; R1975-G1979 PolarHBondContact O-N 3.13Å; R1975-D2022 WeakPolarHBondContact CD-OD2 3.4Å; R1975-D2022 IonicContact CZ-OD1 3.5Å; R1975-D2022 IonicContact CZ-OD2 3.32Å; R1975-D2022 IonicContact NE-OD2 3.73Å; R1975-D2022 IonicContact NH1-OD1 3.12Å; R1975-D2022 PolarHBondContact NH1-OD1 3.09Å; R1975-D2022 IonicContact NH1-OD2 3.03Å; R1975-D2022 PolarHBondContact NH1-OD2 3.26Å; R1975-D2022 IonicContact NH2-OD2 3.37Å; R1975-D2022 PolarHBondContact NH2-OD2 3.26Å; R1975-I2026 VanDerWaalsContact NH2-CD1 3.3Å |
| 1976 | M | 92.9 | Very high | 82.8 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.6 | -47.7 | 178.3 | -170.6 | 175.3 | -2 | 0 | 0 | 111.8 | V1912 C1916 C1922 C1925 Y1926 L1931 L1934 A1972 I1973 G1974 N1978 G1979 Y1980 V1999 | V1912-M1976 HydrophobicContact CG1-CE 4.25Å; C1916-M1976 HydrophobicContact CB-CB 4.39Å; C1922-M1976 VanDerWaalsContact SG-CA 3.59Å; C1922-M1976 PolarHBondContact SG-O 3.09Å; C1925-M1976 HydrophobicContact CB-CE 4.2Å; Y1926-M1976 HydrophobicContact CD2-SD 4.29Å; L1931-M1976 HydrophobicContact CB-CE 3.72Å; L1931-M1976 HydrophobicContact CB-SD 4.32Å; L1931-M1976 HydrophobicContact CD1-CE 3.6Å; L1931-M1976 HydrophobicContact CG-CE 4.18Å; L1934-M1976 HydrophobicContact CD1-CE 3.78Å; A1972-M1976 WeakPolarHBondContact O-CB 3.36Å; A1972-M1976 PolarHBondContact O-N 3.16Å; I1973-M1976 HydrophobicContact CG2-CE 4.43Å; I1973-M1976 WeakPolarHBondContact O-CA 3.41Å; I1973-M1976 VanDerWaalsContact O-CB 3.31Å; I1973-M1976 WeakPolarHBondContact O-CB 3.33Å; I1973-M1976 PolarHBondContact O-N 3.17Å; I1973-M1976 VanDerWaalsContact O-N 3.09Å; G1974-M1976 VanDerWaalsContact C-N 3.34Å; G1974-M1976 PolarHBondContact O-N 3.14Å; M1976-N1978 VanDerWaalsContact C-N 3.34Å; M1976-N1978 PolarHBondContact O-N 3.25Å; M1976-G1979 PolarHBondContact O-N 3.2Å; M1976-Y1980 HydrophobicContact CG-CD2 4.44Å; M1976-Y1980 HydrophobicContact CG-CE2 4.28Å; M1976-Y1980 VanDerWaalsContact O-CB 3.3Å; M1976-Y1980 WeakPolarHBondContact O-CB 3.29Å; M1976-Y1980 VanDerWaalsContact O-CD2 3.32Å; M1976-Y1980 WeakPolarHBondContact O-CD2 3.32Å; M1976-Y1980 PolarHBondContact O-N 3.15Å; M1976-Y1980 VanDerWaalsContact O-N 3.11Å; M1976-V1999 HydrophobicContact CE-CG1 4.06Å; M1976-V1999 HydrophobicContact CG-CG1 4.21Å; M1976-V1999 HydrophobicContact CG-CG2 4.47Å; M1976-V1999 HydrophobicContact SD-CG1 4.46Å |
| 1977 | V | 90.6 | Very high | 80.7 | Confident | 4.5 Ų | 4.5 | 34.7 Ų | 34.7 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.6 | -46.1 | 176.6 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | I1973 G1974 Y1980 A1981 V1999 M2000 L2003 I2015 L2016 | I1973-V1977 HydrophobicContact CG2-CG2 4.44Å; I1973-V1977 WeakPolarHBondContact O-CG2 3.42Å; I1973-V1977 PolarHBondContact O-N 3.15Å; G1974-V1977 PolarHBondContact O-N 3.43Å; V1977-Y1980 WeakPolarHBondContact O-CB 3.43Å; V1977-Y1980 PolarHBondContact O-N 3.11Å; V1977-A1981 WeakPolarHBondContact O-CB 3.24Å; V1977-A1981 PolarHBondContact O-N 3.28Å; V1977-V1999 HydrophobicContact CB-CG1 4.5Å; V1977-V1999 HydrophobicContact CG2-CG1 3.87Å; V1977-M2000 HydrophobicContact CG1-CB 4.49Å; V1977-M2000 HydrophobicContact CG1-SD 4.19Å; V1977-L2003 HydrophobicContact CG2-CD1 3.18Å; V1977-L2003 HydrophobicContact CG2-CG 4.42Å; V1977-I2015 HydrophobicContact CG2-CG2 4.18Å; V1977-L2016 HydrophobicContact CG1-CB 4.33Å; V1977-L2016 HydrophobicContact CG1-CD1 3.62Å |
| 1978 | N | 86.4 | Confident | 78.7 | Confident | 17.25 Ų | 17.25 | 43.6 Ų | 43.6 | 9% | 0.092 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.9 | -42.2 | -178.7 | -74.9 | -52.9 | 0 | 0 | 0 | 112.7 | G1974 R1975 M1976 Y1980 A1981 T1982 L2016 N2019 | G1974-N1978 VanDerWaalsContact O-CB 3.32Å; G1974-N1978 WeakPolarHBondContact O-CB 3.38Å; G1974-N1978 PolarHBondContact O-N 3.25Å; G1974-N1978 VanDerWaalsContact O-N 3.13Å; G1974-N1978 PolarHBondContact O-ND2 3.11Å; G1974-N1978 VanDerWaalsContact O-ND2 3.1Å; R1975-N1978 PolarHBondContact O-N 3.04Å; M1976-N1978 VanDerWaalsContact C-N 3.34Å; M1976-N1978 PolarHBondContact O-N 3.25Å; N1978-Y1980 VanDerWaalsContact C-N 3.29Å; N1978-Y1980 PolarHBondContact O-N 3.11Å; N1978-A1981 WeakPolarHBondContact O-CB 3.05Å; N1978-A1981 PolarHBondContact O-N 3.21Å; N1978-A1981 VanDerWaalsContact O-N 3.15Å; N1978-T1982 WeakPolarHBondContact O-CG2 3.3Å; N1978-T1982 PolarHBondContact O-N 3.31Å; N1978-T1982 VanDerWaalsContact O-N 3.08Å; N1978-T1982 PolarHBondContact O-OG1 3.42Å; N1978-L2016 PolarHBondContact ND2-O 2.99Å; N1978-L2016 VanDerWaalsContact ND2-O 3.13Å; N1978-L2016 WeakPolarHBondContact OD1-CD1 3.25Å; N1978-L2016 PolarHBondContact OD1-O 3.34Å; N1978-N2019 HydrophobicContact CB-CB 4.49Å; N1978-N2019 WeakPolarHBondContact ND2-CA 3.48Å; N1978-N2019 VanDerWaalsContact ND2-CB 3.35Å; N1978-N2019 WeakPolarHBondContact ND2-CB 3.33Å; N1978-N2019 PolarHBondContact ND2-N 3Å; N1978-N2019 VanDerWaalsContact OD1-CB 3.29Å; N1978-N2019 WeakPolarHBondContact OD1-CB 3.34Å; N1978-N2019 PolarHBondContact OD1-ND2 3.44Å; N1978-N2019 VanDerWaalsContact OD1-ND2 3.08Å |
| 1979 | G | 83.1 | Confident | 76.7 | Confident | 4.25 Ų | 4.25 | 50.9 Ų | 50.9 | 4% | 0.044 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.5 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | C1916 Y1919 R1975 M1976 T1982 | C1916-G1979 WeakPolarHBondContact O-CA 3.38Å; Y1919-G1979 WeakPolarHBondContact CD2-O 3.43Å; R1975-G1979 PolarHBondContact O-N 3.13Å; M1976-G1979 PolarHBondContact O-N 3.2Å; G1979-T1982 PolarHBondContact O-N 3.24Å; G1979-T1982 PolarHBondContact O-OG1 3.16Å |
| 1980 | Y | 80.6 | Confident | 74.5 | Confident | 29.75 Ų | 29.75 | 53 Ų | 53 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 175.3 | -141.7 | -83.1 | 0 | 0 | 0 | 112.7 | Y1919 C1922 V1923 Y1926 M1976 V1977 N1978 T1982 G1983 P1997 D1998 V1999 | Y1919-Y1980 HydrophobicContact CD2-CD1 4.49Å; Y1919-Y1980 AromaticContact CE2-CD1 3.91Å; Y1919-Y1980 HydrophobicContact CE2-CD1 3.91Å; Y1919-Y1980 HydrophobicContact CE2-CE1 4.45Å; Y1919-Y1980 WeakPolarHBondContact CE2-O 3.41Å; C1922-Y1980 HydrophobicContact CB-CD2 3.6Å; C1922-Y1980 HydrophobicContact CB-CE2 3.54Å; C1922-Y1980 HydrophobicContact CB-CG 4.47Å; C1922-Y1980 WeakPolarHBondContact O-CE2 3.37Å; C1922-Y1980 PolarHBondContact SG-N 3.14Å; V1923-Y1980 VanDerWaalsContact CA-OH 3.23Å; V1923-Y1980 WeakPolarHBondContact CA-OH 3Å; V1923-Y1980 HydrophobicContact CB-CD2 4.44Å; V1923-Y1980 HydrophobicContact CB-CE2 4.33Å; V1923-Y1980 HydrophobicContact CG1-CE2 4.12Å; V1923-Y1980 HydrophobicContact CG2-CD2 3.76Å; V1923-Y1980 HydrophobicContact CG2-CE1 3.63Å; V1923-Y1980 HydrophobicContact CG2-CE2 3.66Å; Y1926-Y1980 WeakPolarHBondContact CB-OH 3.47Å; Y1926-Y1980 HydrophobicContact CD1-CE2 4.2Å; M1976-Y1980 HydrophobicContact CG-CD2 4.44Å; M1976-Y1980 HydrophobicContact CG-CE2 4.28Å; M1976-Y1980 VanDerWaalsContact O-CB 3.3Å; M1976-Y1980 WeakPolarHBondContact O-CB 3.29Å; M1976-Y1980 VanDerWaalsContact O-CD2 3.32Å; M1976-Y1980 WeakPolarHBondContact O-CD2 3.32Å; M1976-Y1980 PolarHBondContact O-N 3.15Å; M1976-Y1980 VanDerWaalsContact O-N 3.11Å; V1977-Y1980 WeakPolarHBondContact O-CB 3.43Å; V1977-Y1980 PolarHBondContact O-N 3.11Å; N1978-Y1980 VanDerWaalsContact C-N 3.29Å; N1978-Y1980 PolarHBondContact O-N 3.11Å; Y1980-T1982 PolarHBondContact O-N 3.02Å; Y1980-G1983 PolarHBondContact O-N 2.88Å; Y1980-P1997 HydrophobicContact CE1-CG 4.21Å; Y1980-P1997 WeakPolarHBondContact CE1-O 3.48Å; Y1980-P1997 VanDerWaalsContact OH-CG 3.28Å; Y1980-P1997 WeakPolarHBondContact OH-CG 3.34Å; Y1980-D1998 HydrophobicContact CD1-CB 4.36Å; Y1980-D1998 HydrophobicContact CE1-CB 3.73Å; Y1980-V1999 HydrophobicContact CD1-CG2 4.23Å; Y1980-V1999 HydrophobicContact CD2-CB 4.28Å; Y1980-V1999 HydrophobicContact CD2-CG2 3.43Å; Y1980-V1999 HydrophobicContact CE1-CG2 4Å; Y1980-V1999 HydrophobicContact CE2-CB 4.32Å; Y1980-V1999 HydrophobicContact CE2-CG2 3.74Å; Y1980-V1999 HydrophobicContact CG-CB 4.35Å; Y1980-V1999 HydrophobicContact CG-CG2 3.67Å; Y1980-V1999 VanDerWaalsContact CG-CG2 3.41Å |
| 1981 | A | 75.4 | Confident | 72.1 | Confident | 53 Ų | 53 | 63.3 Ų | 63.3 | 44% | 0.438 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.5 | -35.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | V1977 N1978 G1983 R1984 | V1977-A1981 WeakPolarHBondContact O-CB 3.24Å; V1977-A1981 PolarHBondContact O-N 3.28Å; N1978-A1981 WeakPolarHBondContact O-CB 3.05Å; N1978-A1981 PolarHBondContact O-N 3.21Å; N1978-A1981 VanDerWaalsContact O-N 3.15Å; A1981-G1983 VanDerWaalsContact C-N 3.3Å; A1981-G1983 PolarHBondContact O-N 3.2Å; A1981-R1984 PolarHBondContact O-N 3.16Å |
| 1982 | T | 69.7 | Low | 70.1 | Confident | 91.25 Ų | 91.25 | 67.9 Ų | 67.9 | 56% | 0.56 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -68 | -22.2 | -179.7 | 59.2 | 0 | 0 | 0 | 0 | 114.4 | N1978 G1979 Y1980 R1984 | N1978-T1982 WeakPolarHBondContact O-CG2 3.3Å; N1978-T1982 PolarHBondContact O-N 3.31Å; N1978-T1982 VanDerWaalsContact O-N 3.08Å; N1978-T1982 PolarHBondContact O-OG1 3.42Å; G1979-T1982 PolarHBondContact O-N 3.24Å; G1979-T1982 PolarHBondContact O-OG1 3.16Å; Y1980-T1982 PolarHBondContact O-N 3.02Å; T1982-R1984 PolarHBondContact O-N 3.08Å |
| 1983 | G | 61 | Low | 68 | Low | 4.75 Ų | 4.75 | 76.2 Ų | 76.2 | 5% | 0.049 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -2.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y1919 Y1980 A1981 E1985 V1986 T1987 R1994 | Y1919-G1983 VanDerWaalsContact CD2-CA 3.41Å; Y1980-G1983 PolarHBondContact O-N 2.88Å; A1981-G1983 VanDerWaalsContact C-N 3.3Å; A1981-G1983 PolarHBondContact O-N 3.2Å; G1983-E1985 VanDerWaalsContact C-N 3.27Å; G1983-E1985 PolarHBondContact O-N 3.19Å; G1983-V1986 PolarHBondContact O-N 3.4Å; G1983-T1987 PolarHBondContact O-N 3.19Å; G1983-R1994 WeakPolarHBondContact O-CG 3.49Å; G1983-R1994 PolarHBondContact O-N 3.43Å |
| 1984 | R | 56.5 | Low | 66.4 | Low | 154 Ų | 154 | 79.7 Ų | 79.7 | 58% | 0.581 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -65.8 | -16.6 | 177 | -82.9 | -172.8 | -179.9 | -177.4 | 2.8 | 111.8 | A1981 T1982 V1986 T1987 E1988 Y1991 D1998 | A1981-R1984 PolarHBondContact O-N 3.16Å; T1982-R1984 PolarHBondContact O-N 3.08Å; R1984-V1986 PolarHBondContact O-N 3.24Å; R1984-T1987 PolarHBondContact O-N 3.41Å; R1984-T1987 PolarHBondContact O-OG1 2.95Å; R1984-E1988 PolarHBondContact O-N 3.28Å; R1984-Y1991 HydrophobicContact CB-CD1 4.09Å; R1984-D1998 IonicContact CZ-OD2 3.21Å; R1984-D1998 IonicContact NH2-OD2 3.19Å; R1984-D1998 PolarHBondContact NH2-OD2 2.94Å |
| 1985 | E | 51.4 | Low | 64.9 | Low | 156.75 Ų | 156.75 | 88.2 Ų | 88.2 | 73% | 0.732 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -68.8 | -11 | 177.6 | -72.4 | -176.4 | 174.3 | 0 | 0 | 112.5 | G1983 T1987 Y1991 L1992 R1994 | G1983-E1985 VanDerWaalsContact C-N 3.27Å; G1983-E1985 PolarHBondContact O-N 3.19Å; E1985-T1987 PolarHBondContact O-N 3.5Å; E1985-Y1991 VanDerWaalsContact O-CA 3.28Å; E1985-Y1991 WeakPolarHBondContact O-CA 3.26Å; E1985-L1992 PolarHBondContact N-O 2.99Å; E1985-L1992 PolarHBondContact O-N 3.35Å; E1985-L1992 VanDerWaalsContact O-N 3.07Å; E1985-R1994 IonicContact OE1-CZ 2.75Å; E1985-R1994 IonicContact OE1-NE 3.59Å; E1985-R1994 IonicContact OE1-NH2 3.93Å; E1985-R1994 PolarHBondContact OE1-NH2 3.26Å |
| 1986 | V | 51.8 | Low | 63.8 | Low | 112.25 Ų | 112.25 | 88.6 Ų | 88.6 | 68% | 0.68 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -89.1 | -0.3 | -178.6 | -173.1 | 0 | 0 | 0 | 0 | 111.3 | G1983 R1984 E1988 Y1991 | G1983-V1986 PolarHBondContact O-N 3.4Å; R1984-V1986 PolarHBondContact O-N 3.24Å; V1986-E1988 PolarHBondContact O-N 3.02Å; V1986-E1988 VanDerWaalsContact O-N 3.09Å; V1986-Y1991 HydrophobicContact CG2-CD1 4.12Å; V1986-Y1991 HydrophobicContact CG2-CE1 3.53Å |
| 1987 | T | 51.8 | Low | 63.1 | Low | 49.25 Ų | 49.25 | 89.2 Ų | 89.2 | 30% | 0.302 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -95 | 41.6 | 178.4 | 55.6 | 0 | 0 | 0 | 0 | 112.5 | Y1919 G1983 R1984 E1985 D1989 G1990 L1992 | Y1919-T1987 HydrophobicContact CE1-CG2 4.23Å; Y1919-T1987 WeakPolarHBondContact OH-CG2 3.41Å; G1983-T1987 PolarHBondContact O-N 3.19Å; R1984-T1987 PolarHBondContact O-N 3.41Å; R1984-T1987 PolarHBondContact O-OG1 2.95Å; E1985-T1987 PolarHBondContact O-N 3.5Å; T1987-D1989 PolarHBondContact O-N 3.18Å; T1987-G1990 CarbonylContact C-O 3.58Å; T1987-G1990 WeakPolarHBondContact CA-O 3.42Å; T1987-G1990 WeakPolarHBondContact CB-O 3.35Å; T1987-G1990 PolarHBondContact N-O 3.5Å; T1987-G1990 CarbonylContact O-C 3.51Å; T1987-G1990 PolarHBondContact O-N 3.29Å; T1987-G1990 VanDerWaalsContact O-N 3.1Å; T1987-G1990 VanDerWaalsContact O-O 3.04Å; T1987-G1990 PolarHBondContact OG1-O 3.38Å; T1987-L1992 HydrophobicContact CG2-CB 3.97Å; T1987-L1992 HydrophobicContact CG2-CD1 4.35Å |
| 1988 | E | 51.4 | Low | 62.8 | Low | 189.25 Ų | 189.25 | 91.3 Ų | 91.3 | 88% | 0.884 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -26.5 | 174.6 | -76.5 | -170.8 | 160 | 0 | 0 | 112.3 | R1984 V1986 G1990 | R1984-E1988 PolarHBondContact O-N 3.28Å; V1986-E1988 PolarHBondContact O-N 3.02Å; V1986-E1988 VanDerWaalsContact O-N 3.09Å; E1988-G1990 VanDerWaalsContact C-N 3.34Å; E1988-G1990 PolarHBondContact O-N 3.3Å |
| 1989 | D | 50.5 | Low | 62.9 | Low | 156.25 Ų | 156.25 | 90.5 Ų | 90.5 | 84% | 0.836 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 21.8 | 176.5 | -71.8 | -28.3 | 0 | 0 | 0 | 113.4 | T1987 Y1991 | T1987-D1989 PolarHBondContact O-N 3.18Å; D1989-Y1991 PolarHBondContact O-N 2.97Å |
| 1990 | G | 50.2 | Low | 63.2 | Low | 43.75 Ų | 43.75 | 92.8 Ų | 92.8 | 45% | 0.451 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 117.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | T1987 E1988 L1992 | T1987-G1990 CarbonylContact C-O 3.58Å; T1987-G1990 WeakPolarHBondContact CA-O 3.42Å; T1987-G1990 WeakPolarHBondContact CB-O 3.35Å; T1987-G1990 PolarHBondContact N-O 3.5Å; T1987-G1990 CarbonylContact O-C 3.51Å; T1987-G1990 PolarHBondContact O-N 3.29Å; T1987-G1990 VanDerWaalsContact O-N 3.1Å; T1987-G1990 VanDerWaalsContact O-O 3.04Å; T1987-G1990 PolarHBondContact OG1-O 3.38Å; E1988-G1990 VanDerWaalsContact C-N 3.34Å; E1988-G1990 PolarHBondContact O-N 3.3Å; G1990-L1992 PolarHBondContact O-N 3.26Å |
| 1991 | Y | 46.6 | Very low | 63.6 | Low | 217.5 Ų | 217.5 | 95.2 Ų | 95.2 | 85% | 0.853 | 49% | 0.489 | S | S | * | . | trans | -75.4 | 45.5 | 179.7 | -72.8 | -87.1 | 0 | 0 | 0 | 115.4 | R1984 E1985 V1986 D1989 M1993 | R1984-Y1991 HydrophobicContact CB-CD1 4.09Å; E1985-Y1991 VanDerWaalsContact O-CA 3.28Å; E1985-Y1991 WeakPolarHBondContact O-CA 3.26Å; V1986-Y1991 HydrophobicContact CG2-CD1 4.12Å; V1986-Y1991 HydrophobicContact CG2-CE1 3.53Å; D1989-Y1991 PolarHBondContact O-N 2.97Å; Y1991-M1993 VanDerWaalsContact C-N 3.32Å; Y1991-M1993 PolarHBondContact O-N 3.24Å | ||
| 1992 | L | 50.4 | Low | 64.4 | Low | 115.5 Ų | 115.5 | 92.7 Ų | 92.7 | 61% | 0.605 | 47% | 0.469 | S | S | * | . | trans | -86.8 | 83.6 | 167.3 | -91.1 | 155.4 | 0 | 0 | 0 | 108.6 | W1920 E1985 T1987 G1990 R1994 | W1920-L1992 HydrophobicContact CH2-CD1 4.29Å; W1920-L1992 HydrophobicContact CZ3-CD1 4.49Å; E1985-L1992 PolarHBondContact N-O 2.99Å; E1985-L1992 PolarHBondContact O-N 3.35Å; E1985-L1992 VanDerWaalsContact O-N 3.07Å; T1987-L1992 HydrophobicContact CG2-CB 3.97Å; T1987-L1992 HydrophobicContact CG2-CD1 4.35Å; G1990-L1992 PolarHBondContact O-N 3.26Å; L1992-R1994 PolarHBondContact O-N 2.94Å | ||
| 1993 | M | 49.3 | Very low | 65.5 | Low | 175.75 Ų | 175.75 | 88.4 Ų | 88.4 | 87% | 0.866 | 44% | 0.442 | S | S | * | . | trans | -65.2 | 108.9 | 165.7 | -122.6 | -134.3 | 151.4 | 0 | 0 | 107.4 | Y1991 E1995 | Y1991-M1993 VanDerWaalsContact C-N 3.32Å; Y1991-M1993 PolarHBondContact O-N 3.24Å; M1993-E1995 PolarHBondContact O-N 3.07Å | ||
| 1994 | R | 62.6 | Low | 66.9 | Low | 72.75 Ų | 72.75 | 89.4 Ų | 89.4 | 28% | 0.275 | 45% | 0.448 | S | S | . | . | trans | -82.5 | 139.7 | 175.4 | -68.9 | -173.2 | -173.7 | -148.9 | 4.9 | 109.8 | Y1919 W1920 V1923 E1927 G1983 E1985 L1992 G1996 | Y1919-R1994 HydrophobicContact CE1-CB 3.99Å; Y1919-R1994 HydrophobicContact CE1-CG 4.47Å; Y1919-R1994 HydrophobicContact CE2-CB 4.33Å; Y1919-R1994 WeakPolarHBondContact OH-CB 3.41Å; Y1919-R1994 VanDerWaalsContact OH-CZ 3.25Å; Y1919-R1994 PolarHBondContact OH-NH1 3.35Å; Y1919-R1994 PolarHBondContact OH-NH2 3.05Å; Y1919-R1994 PolarHBondContact OH-O 2.93Å; W1920-R1994 VanDerWaalsContact CZ3-NH2 3.27Å; V1923-R1994 VanDerWaalsContact CG1-NH1 3.29Å; E1927-R1994 WeakPolarHBondContact OE1-CD 3.34Å; E1927-R1994 IonicContact OE1-CZ 3.04Å; E1927-R1994 IonicContact OE1-NE 3.68Å; E1927-R1994 IonicContact OE1-NH1 3.57Å; E1927-R1994 PolarHBondContact OE1-NH1 3.07Å; E1927-R1994 IonicContact OE2-NH1 3.12Å; E1927-R1994 PolarHBondContact OE2-NH1 3.33Å; G1983-R1994 WeakPolarHBondContact O-CG 3.49Å; G1983-R1994 PolarHBondContact O-N 3.43Å; E1985-R1994 IonicContact OE1-CZ 2.75Å; E1985-R1994 IonicContact OE1-NE 3.59Å; E1985-R1994 IonicContact OE1-NH2 3.93Å; E1985-R1994 PolarHBondContact OE1-NH2 3.26Å; L1992-R1994 PolarHBondContact O-N 2.94Å; R1994-G1996 PolarHBondContact O-N 3.41Å | ||
| 1995 | E | 61 | Low | 68.5 | Low | 179.75 Ų | 179.75 | 86.3 Ų | 86.3 | 84% | 0.84 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -80 | 129.5 | 176.3 | -65.5 | -175 | 171.1 | 0 | 0 | 110.5 | Y1919 M1993 | Y1919-E1995 PolarHBondContact OH-O 3.17Å; M1993-E1995 PolarHBondContact O-N 3.07Å |
| 1996 | G | 66 | Low | 70.5 | Confident | 34 Ų | 34 | 78.8 Ų | 78.8 | 35% | 0.351 | 40% | 0.402 | S | S | . | . | S | Bend | trans | 121.7 | 169.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1994 N2098 | R1994-G1996 PolarHBondContact O-N 3.41Å; G1996-N2098 VanDerWaalsContact CA-OD1 3.28Å; G1996-N2098 WeakPolarHBondContact CA-OD1 3.29Å |
| 1997 | P | 78 | Confident | 72.4 | Confident | 12.25 Ų | 12.25 | 73.5 Ų | 73.5 | 8% | 0.08 | 37% | 0.369 | C | S | . | . | trans | -67.7 | 150.1 | -179.7 | 26.6 | -31 | 0 | 0 | 0 | 111 | Y1926 Y1980 V1999 E2001 A2002 V2100 L2101 | Y1926-P1997 HydrophobicContact CD1-CB 3.95Å; Y1926-P1997 HydrophobicContact CD1-CG 3.51Å; Y1926-P1997 HydrophobicContact CE1-CB 3.56Å; Y1926-P1997 HydrophobicContact CE1-CG 3.7Å; Y1926-P1997 WeakPolarHBondContact CE1-O 3.34Å; Y1926-P1997 PolarHBondContact OH-O 3.11Å; Y1926-P1997 VanDerWaalsContact OH-O 3.07Å; Y1980-P1997 HydrophobicContact CE1-CG 4.21Å; Y1980-P1997 WeakPolarHBondContact CE1-O 3.48Å; Y1980-P1997 VanDerWaalsContact OH-CG 3.28Å; Y1980-P1997 WeakPolarHBondContact OH-CG 3.34Å; P1997-V1999 PolarHBondContact O-N 3.01Å; P1997-E2001 WeakPolarHBondContact CA-OE2 3.46Å; P1997-E2001 HydrophobicContact CB-CB 4.01Å; P1997-E2001 HydrophobicContact CB-CG 3.9Å; P1997-E2001 WeakPolarHBondContact CB-OE2 3.31Å; P1997-A2002 HydrophobicContact CB-CB 4.42Å; P1997-A2002 HydrophobicContact CG-CB 4.22Å; P1997-V2100 HydrophobicContact CG-CB 4.09Å; P1997-V2100 HydrophobicContact CG-CG1 4.39Å; P1997-L2101 HydrophobicContact CB-CD2 3.75Å; P1997-L2101 HydrophobicContact CB-CG 4.39Å; P1997-L2101 HydrophobicContact CG-CD2 3.88Å; P1997-L2101 HydrophobicContact CG-CG 4.1Å | ||
| 1998 | D | 84.6 | Confident | 74.2 | Confident | 47 Ų | 47 | 71.1 Ų | 71.1 | 25% | 0.251 | 36% | 0.355 | S | S | . | . | trans | -72.9 | 151.1 | 170.5 | 92.7 | 24.5 | 0 | 0 | 0 | 111.3 | Y1926 Y1980 R1984 M2000 E2001 A2002 | Y1926-D1998 PolarHBondContact OH-O 3.31Å; Y1980-D1998 HydrophobicContact CD1-CB 4.36Å; Y1980-D1998 HydrophobicContact CE1-CB 3.73Å; R1984-D1998 IonicContact CZ-OD2 3.21Å; R1984-D1998 IonicContact NH2-OD2 3.19Å; R1984-D1998 PolarHBondContact NH2-OD2 2.94Å; D1998-M2000 PolarHBondContact O-N 3.17Å; D1998-M2000 WeakPolarHBondContact OD1-CA 3.43Å; D1998-M2000 VanDerWaalsContact OD1-CB 3.32Å; D1998-M2000 WeakPolarHBondContact OD1-CB 3.41Å; D1998-M2000 PolarHBondContact OD1-N 2.89Å; D1998-E2001 HydrophobicContact CB-CB 3.68Å; D1998-E2001 PolarHBondContact O-N 3.22Å; D1998-E2001 WeakPolarHBondContact OD1-CB 3.43Å; D1998-E2001 PolarHBondContact OD1-N 3.17Å; D1998-A2002 VanDerWaalsContact O-CB 3.28Å; D1998-A2002 WeakPolarHBondContact O-CB 3.38Å; D1998-A2002 PolarHBondContact O-N 2.9Å | ||
| 1999 | V | 88.7 | Confident | 76 | Confident | 1.5 Ų | 1.5 | 63.5 Ų | 63.5 | 1% | 0.009 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.4 | -33.6 | -177.9 | -172.8 | 0 | 0 | 0 | 0 | 111.7 | Y1926 M1976 V1977 Y1980 P1997 A2002 L2003 | Y1926-V1999 HydrophobicContact CD1-CG2 3.94Å; Y1926-V1999 HydrophobicContact CD2-CB 4.39Å; Y1926-V1999 HydrophobicContact CD2-CG1 4.26Å; Y1926-V1999 HydrophobicContact CD2-CG2 3.68Å; Y1926-V1999 HydrophobicContact CE1-CG2 4.21Å; Y1926-V1999 HydrophobicContact CE2-CB 4.39Å; Y1926-V1999 HydrophobicContact CE2-CG1 4.35Å; Y1926-V1999 HydrophobicContact CE2-CG2 3.98Å; Y1926-V1999 HydrophobicContact CG-CG2 3.66Å; M1976-V1999 HydrophobicContact CE-CG1 4.06Å; M1976-V1999 HydrophobicContact CG-CG1 4.21Å; M1976-V1999 HydrophobicContact CG-CG2 4.47Å; M1976-V1999 HydrophobicContact SD-CG1 4.46Å; V1977-V1999 HydrophobicContact CB-CG1 4.5Å; V1977-V1999 HydrophobicContact CG2-CG1 3.87Å; Y1980-V1999 HydrophobicContact CD1-CG2 4.23Å; Y1980-V1999 HydrophobicContact CD2-CB 4.28Å; Y1980-V1999 HydrophobicContact CD2-CG2 3.43Å; Y1980-V1999 HydrophobicContact CE1-CG2 4Å; Y1980-V1999 HydrophobicContact CE2-CB 4.32Å; Y1980-V1999 HydrophobicContact CE2-CG2 3.74Å; Y1980-V1999 HydrophobicContact CG-CB 4.35Å; Y1980-V1999 HydrophobicContact CG-CG2 3.67Å; Y1980-V1999 VanDerWaalsContact CG-CG2 3.41Å; P1997-V1999 PolarHBondContact O-N 3.01Å; V1999-A2002 PolarHBondContact O-N 2.85Å; V1999-L2003 HydrophobicContact CG1-CD1 4.38Å; V1999-L2003 WeakPolarHBondContact O-CB 3.34Å; V1999-L2003 WeakPolarHBondContact O-CG 3.32Å; V1999-L2003 PolarHBondContact O-N 2.96Å |
| 2000 | M | 89.8 | Confident | 77.9 | Confident | 52 Ų | 52 | 56.6 Ų | 56.6 | 26% | 0.256 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -74.2 | -42.9 | -178.8 | -175.8 | 63.4 | -173.6 | 0 | 0 | 111 | V1977 D1998 A2002 L2003 S2004 A2012 R2013 L2016 | V1977-M2000 HydrophobicContact CG1-CB 4.49Å; V1977-M2000 HydrophobicContact CG1-SD 4.19Å; D1998-M2000 PolarHBondContact O-N 3.17Å; D1998-M2000 WeakPolarHBondContact OD1-CA 3.43Å; D1998-M2000 VanDerWaalsContact OD1-CB 3.32Å; D1998-M2000 WeakPolarHBondContact OD1-CB 3.41Å; D1998-M2000 PolarHBondContact OD1-N 2.89Å; M2000-A2002 VanDerWaalsContact C-N 3.32Å; M2000-L2003 PolarHBondContact O-N 3.11Å; M2000-S2004 VanDerWaalsContact O-CB 3.27Å; M2000-S2004 WeakPolarHBondContact O-CB 3.35Å; M2000-S2004 PolarHBondContact O-N 3.18Å; M2000-S2004 PolarHBondContact O-OG 2.97Å; M2000-A2012 VanDerWaalsContact CE-C 3.45Å; M2000-A2012 HydrophobicContact CE-CB 3.64Å; M2000-A2012 HydrophobicContact SD-CB 3.89Å; M2000-R2013 HydrophobicContact CE-CB 4.44Å; M2000-L2016 HydrophobicContact CE-CD2 4.46Å; M2000-L2016 HydrophobicContact SD-CB 4.44Å |
| 2001 | E | 88.1 | Confident | 80 | Confident | 81 Ų | 81 | 54.6 Ų | 54.6 | 38% | 0.379 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 172.4 | -174.8 | -176.5 | 178.8 | 0 | 0 | 110.5 | P1997 D1998 L2003 S2004 R2005 L2101 | P1997-E2001 WeakPolarHBondContact CA-OE2 3.46Å; P1997-E2001 HydrophobicContact CB-CB 4.01Å; P1997-E2001 HydrophobicContact CB-CG 3.9Å; P1997-E2001 WeakPolarHBondContact CB-OE2 3.31Å; D1998-E2001 HydrophobicContact CB-CB 3.68Å; D1998-E2001 PolarHBondContact O-N 3.22Å; D1998-E2001 WeakPolarHBondContact OD1-CB 3.43Å; D1998-E2001 PolarHBondContact OD1-N 3.17Å; E2001-L2003 PolarHBondContact O-N 3.31Å; E2001-S2004 PolarHBondContact O-N 3.03Å; E2001-R2005 VanDerWaalsContact CD-NH1 3.31Å; E2001-R2005 WeakPolarHBondContact O-CB 3.44Å; E2001-R2005 PolarHBondContact O-N 3.18Å; E2001-R2005 IonicContact OE1-CZ 3.98Å; E2001-R2005 IonicContact OE1-NH1 3.17Å; E2001-R2005 PolarHBondContact OE1-NH1 2.96Å; E2001-R2005 IonicContact OE1-NH2 3.76Å; E2001-R2005 PolarHBondContact OE1-NH2 3.47Å; E2001-L2101 WeakPolarHBondContact OE1-CD2 3.4Å |
| 2002 | A | 92 | Very high | 82.2 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.2 | -45.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y1926 L1931 P1997 D1998 V1999 M2000 R2005 L2006 V2100 | Y1926-A2002 HydrophobicContact CE2-CB 4.27Å; Y1926-A2002 WeakPolarHBondContact OH-CB 3.4Å; L1931-A2002 HydrophobicContact CD2-CB 4.16Å; P1997-A2002 HydrophobicContact CB-CB 4.42Å; P1997-A2002 HydrophobicContact CG-CB 4.22Å; D1998-A2002 VanDerWaalsContact O-CB 3.28Å; D1998-A2002 WeakPolarHBondContact O-CB 3.38Å; D1998-A2002 PolarHBondContact O-N 2.9Å; V1999-A2002 PolarHBondContact O-N 2.85Å; M2000-A2002 VanDerWaalsContact C-N 3.32Å; A2002-R2005 PolarHBondContact O-N 3.09Å; A2002-L2006 VanDerWaalsContact O-CB 3.28Å; A2002-L2006 WeakPolarHBondContact O-CB 3.36Å; A2002-L2006 VanDerWaalsContact O-CG 3.25Å; A2002-L2006 WeakPolarHBondContact O-CG 3.44Å; A2002-L2006 PolarHBondContact O-N 3.22Å; A2002-V2100 HydrophobicContact CB-CG1 3.84Å; A2002-V2100 HydrophobicContact CB-CG2 4.46Å |
| 2003 | L | 93.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.1 | -39.6 | 174.9 | -80.9 | 175.8 | 0 | 0 | 0 | 112.7 | L1931 L1935 I1973 V1977 V1999 M2000 E2001 R2005 L2006 L2007 A2012 I2015 | L1931-L2003 HydrophobicContact CD1-CD2 3.71Å; L1931-L2003 HydrophobicContact CD1-CG 4.26Å; L1931-L2003 HydrophobicContact CD2-CD2 4.42Å; L1931-L2003 HydrophobicContact CD2-CG 4.44Å; L1935-L2003 HydrophobicContact CD1-CD2 4.48Å; L1935-L2003 HydrophobicContact CD2-CD2 4.48Å; I1973-L2003 HydrophobicContact CG2-CD1 3.87Å; I1973-L2003 HydrophobicContact CG2-CD2 4.06Å; I1973-L2003 HydrophobicContact CG2-CG 4.49Å; V1977-L2003 HydrophobicContact CG2-CD1 3.18Å; V1977-L2003 HydrophobicContact CG2-CG 4.42Å; V1999-L2003 HydrophobicContact CG1-CD1 4.38Å; V1999-L2003 WeakPolarHBondContact O-CB 3.34Å; V1999-L2003 WeakPolarHBondContact O-CG 3.32Å; V1999-L2003 PolarHBondContact O-N 2.96Å; M2000-L2003 PolarHBondContact O-N 3.11Å; E2001-L2003 PolarHBondContact O-N 3.31Å; L2003-R2005 VanDerWaalsContact C-N 3.27Å; L2003-R2005 PolarHBondContact O-N 3.14Å; L2003-L2006 PolarHBondContact O-N 3.08Å; L2003-L2007 HydrophobicContact CD2-CD1 3.94Å; L2003-L2007 WeakPolarHBondContact O-CB 3.45Å; L2003-L2007 PolarHBondContact O-N 3.25Å; L2003-A2012 HydrophobicContact CB-CB 3.77Å; L2003-I2015 HydrophobicContact CD1-CD1 4.37Å; L2003-I2015 HydrophobicContact CD1-CG2 4.21Å; L2003-I2015 HydrophobicContact CD2-CD1 4.29Å |
| 2004 | S | 90.9 | Very high | 86.1 | Confident | 25.6667 Ų | 25.6667 | 35.2 Ų | 35.2 | 18% | 0.179 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.1 | -34.8 | 179.2 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | M2000 E2001 T2008 P2009 A2012 | M2000-S2004 VanDerWaalsContact O-CB 3.27Å; M2000-S2004 WeakPolarHBondContact O-CB 3.35Å; M2000-S2004 PolarHBondContact O-N 3.18Å; M2000-S2004 PolarHBondContact O-OG 2.97Å; E2001-S2004 PolarHBondContact O-N 3.03Å; S2004-T2008 CarbonylContact O-C 3.57Å; S2004-T2008 VanDerWaalsContact O-C 3.23Å; S2004-T2008 VanDerWaalsContact O-CA 3.23Å; S2004-T2008 WeakPolarHBondContact O-CA 3.36Å; S2004-T2008 PolarHBondContact O-N 3.28Å; S2004-P2009 WeakPolarHBondContact O-CD 3.31Å; S2004-A2012 WeakPolarHBondContact OG-CB 3.33Å |
| 2005 | R | 90.2 | Very high | 87.6 | Confident | 88.3333 Ų | 88.3333 | 31.8 Ų | 31.8 | 33% | 0.333 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -82.9 | -41.7 | 176.9 | -138.6 | 172.7 | -150.3 | 122 | -3 | 113.5 | E2001 A2002 L2003 V2100 L2101 F2103 T2104 | E2001-R2005 VanDerWaalsContact CD-NH1 3.31Å; E2001-R2005 WeakPolarHBondContact O-CB 3.44Å; E2001-R2005 PolarHBondContact O-N 3.18Å; E2001-R2005 IonicContact OE1-CZ 3.98Å; E2001-R2005 IonicContact OE1-NH1 3.17Å; E2001-R2005 PolarHBondContact OE1-NH1 2.96Å; E2001-R2005 IonicContact OE1-NH2 3.76Å; E2001-R2005 PolarHBondContact OE1-NH2 3.47Å; A2002-R2005 PolarHBondContact O-N 3.09Å; L2003-R2005 VanDerWaalsContact C-N 3.27Å; L2003-R2005 PolarHBondContact O-N 3.14Å; R2005-V2100 HydrophobicContact CB-CG1 4.24Å; R2005-V2100 WeakPolarHBondContact CD-O 3.4Å; R2005-V2100 HydrophobicContact CG-CG1 4.48Å; R2005-V2100 PolarHBondContact NE-O 2.75Å; R2005-L2101 PolarHBondContact NE-O 3.05Å; R2005-L2101 VanDerWaalsContact NE-O 3.15Å; R2005-L2101 PolarHBondContact NH2-O 3.35Å; R2005-L2101 VanDerWaalsContact NH2-O 3.1Å; R2005-F2103 WeakPolarHBondContact CD-O 3.4Å; R2005-F2103 VanDerWaalsContact CG-O 3.26Å; R2005-F2103 WeakPolarHBondContact CG-O 3.46Å; R2005-F2103 PolarHBondContact NE-O 3.08Å; R2005-T2104 VanDerWaalsContact NH2-CG2 3.31Å |
| 2006 | L | 93.4 | Very high | 89 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70.9 | -40.4 | -179.3 | -70.9 | 173.7 | 0 | 0 | 0 | 112.6 | L1931 F1932 L1935 A2002 L2003 L2078 L2081 V2100 F2103 H2105 | L1931-L2006 HydrophobicContact CD2-CD1 3.9Å; L1931-L2006 HydrophobicContact CG-CD1 4.44Å; F1932-L2006 HydrophobicContact CE1-CD1 3.94Å; F1932-L2006 HydrophobicContact CE1-CD2 4.29Å; L1935-L2006 HydrophobicContact CD1-CD1 3.98Å; A2002-L2006 VanDerWaalsContact O-CB 3.28Å; A2002-L2006 WeakPolarHBondContact O-CB 3.36Å; A2002-L2006 VanDerWaalsContact O-CG 3.25Å; A2002-L2006 WeakPolarHBondContact O-CG 3.44Å; A2002-L2006 PolarHBondContact O-N 3.22Å; L2003-L2006 PolarHBondContact O-N 3.08Å; L2006-L2078 HydrophobicContact CB-CD1 3.92Å; L2006-L2078 HydrophobicContact CD2-CD1 3.72Å; L2006-L2078 HydrophobicContact CG-CD1 4.32Å; L2006-L2081 HydrophobicContact CD2-CD1 4.24Å; L2006-L2081 HydrophobicContact CD2-CD2 4.08Å; L2006-V2100 HydrophobicContact CD1-CG1 4.31Å; L2006-V2100 HydrophobicContact CD1-CG2 4.21Å; L2006-V2100 HydrophobicContact CD2-CG1 4.17Å; L2006-V2100 HydrophobicContact CD2-CG2 4.3Å; L2006-V2100 HydrophobicContact CG-CG1 3.85Å; L2006-V2100 HydrophobicContact CG-CG2 4.33Å; L2006-F2103 HydrophobicContact CD2-CD1 3.79Å; L2006-F2103 HydrophobicContact CD2-CE1 4.13Å; L2006-F2103 HydrophobicContact CD2-CG 4.37Å; L2006-H2105 PolarHBondContact O-CE1 2.96Å; L2006-H2105 PolarHBondContact O-NE2 2.96Å |
| 2007 | L | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -100.8 | -98.9 | 177.1 | -60 | 175.3 | 0 | 0 | 0 | 108.4 | L1935 L2003 L2011 I2015 L2059 W2070 L2078 H2105 Y2108 | L1935-L2007 HydrophobicContact CD2-CD1 4.24Å; L1935-L2007 HydrophobicContact CD2-CD2 4.3Å; L1935-L2007 HydrophobicContact CD2-CG 4.49Å; L2003-L2007 HydrophobicContact CD2-CD1 3.94Å; L2003-L2007 WeakPolarHBondContact O-CB 3.45Å; L2003-L2007 PolarHBondContact O-N 3.25Å; L2007-L2011 HydrophobicContact CB-CB 3.96Å; L2007-L2011 HydrophobicContact CB-CD1 3.95Å; L2007-L2011 HydrophobicContact CD1-CB 4.36Å; L2007-I2015 HydrophobicContact CD1-CD1 3.58Å; L2007-L2059 HydrophobicContact CD1-CD2 3.9Å; L2007-L2059 HydrophobicContact CD2-CD2 3.87Å; L2007-L2059 HydrophobicContact CG-CD2 4.43Å; L2007-W2070 HydrophobicContact CD2-CH2 3.69Å; L2007-W2070 HydrophobicContact CD2-CZ2 3.94Å; L2007-W2070 HydrophobicContact CD2-CZ3 4.46Å; L2007-W2070 WeakPolarHBondContact O-CZ3 3.41Å; L2007-L2078 HydrophobicContact CD2-CD2 3.62Å; L2007-H2105 PolarHBondContact O-NE2 2.89Å; L2007-Y2108 PolarHBondContact O-OH 3.28Å |
| 2008 | T | 89.1 | Confident | 90.5 | Very high | 0.333333 Ų | 0.333333 | 26.8 Ų | 26.8 | 0% | 0.002 | 13% | 0.128 | C | C | . | . | trans | -158.5 | 160 | 168 | 55.8 | 0 | 0 | 0 | 0 | 107.6 | S2004 H2010 L2011 A2012 L2068 W2070 Y2108 | S2004-T2008 CarbonylContact O-C 3.57Å; S2004-T2008 VanDerWaalsContact O-C 3.23Å; S2004-T2008 VanDerWaalsContact O-CA 3.23Å; S2004-T2008 WeakPolarHBondContact O-CA 3.36Å; S2004-T2008 PolarHBondContact O-N 3.28Å; T2008-H2010 PolarHBondContact O-N 3.05Å; T2008-L2011 PolarHBondContact O-N 3.16Å; T2008-L2011 VanDerWaalsContact O-N 3.15Å; T2008-L2011 WeakPolarHBondContact OG1-CG 3.4Å; T2008-L2011 PolarHBondContact OG1-N 3.17Å; T2008-A2012 WeakPolarHBondContact O-CB 3.3Å; T2008-A2012 PolarHBondContact O-N 3.29Å; T2008-L2068 HydrophobicContact CG2-CD1 3.71Å; T2008-L2068 WeakPolarHBondContact OG1-CD1 3.38Å; T2008-W2070 HydrophobicContact CG2-CE3 4.5Å; T2008-Y2108 HydrophobicContact CG2-CE1 4.21Å | ||
| 2009 | P | 88.6 | Confident | 90.3 | Very high | 29 Ų | 29 | 28.1 Ų | 28.1 | 19% | 0.188 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -53.8 | -40.8 | 175 | -28.1 | 36.7 | 0 | 0 | 0 | 113 | S2004 L2011 A2012 R2013 L2113 E2116 | S2004-P2009 WeakPolarHBondContact O-CD 3.31Å; P2009-L2011 PolarHBondContact O-N 3.16Å; P2009-A2012 PolarHBondContact O-N 3.12Å; P2009-R2013 WeakPolarHBondContact O-CB 3.37Å; P2009-R2013 PolarHBondContact O-N 3.17Å; P2009-L2113 HydrophobicContact CG-CD2 4.05Å; P2009-E2116 HydrophobicContact CB-CB 4.34Å; P2009-E2116 HydrophobicContact CB-CG 3.92Å |
| 2010 | H | 91.1 | Very high | 89.9 | Confident | 12.3333 Ų | 12.3333 | 33.9 Ų | 33.9 | 6% | 0.057 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 177.8 | -176.4 | 70.7 | 0 | 0 | 0 | 113.2 | T2008 A2012 R2013 K2014 Y2067 E2116 D2131 | T2008-H2010 PolarHBondContact O-N 3.05Å; H2010-A2012 VanDerWaalsContact C-N 3.35Å; H2010-R2013 PolarHBondContact CE1-NH2 2.89Å; H2010-R2013 PolarHBondContact ND1-NH2 3.15Å; H2010-R2013 VanDerWaalsContact ND1-NH2 3.16Å; H2010-R2013 PolarHBondContact O-N 2.97Å; H2010-K2014 VanDerWaalsContact CE1-CE 3.44Å; H2010-K2014 WeakPolarHBondContact CE1-CE 3.38Å; H2010-K2014 WeakPolarHBondContact NE2-CE 3.45Å; H2010-K2014 WeakPolarHBondContact O-CG 3.36Å; H2010-K2014 PolarHBondContact O-N 3.35Å; H2010-K2014 VanDerWaalsContact O-N 3.11Å; H2010-Y2067 VanDerWaalsContact CB-O 3.27Å; H2010-Y2067 WeakPolarHBondContact CB-O 3.37Å; H2010-Y2067 AromaticContact CE1-CG 3.81Å; H2010-Y2067 AromaticContact ND1-CD1 3.76Å; H2010-Y2067 AromaticContact ND1-CG 3.78Å; H2010-E2116 IonicContact ND1-OE2 3.29Å; H2010-E2116 PolarHBondContact ND1-OE2 3.01Å; H2010-D2131 IonicContact CE1-OD2 2.73Å |
| 2011 | L | 92.9 | Very high | 89.2 | Confident | 1.33333 Ų | 1.33333 | 34.9 Ų | 34.9 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.2 | -39.3 | 177.1 | -71.8 | 171.3 | 0 | 0 | 0 | 111.5 | L2007 T2008 P2009 R2013 K2014 I2015 L2055 L2058 L2059 L2068 W2070 | L2007-L2011 HydrophobicContact CB-CB 3.96Å; L2007-L2011 HydrophobicContact CB-CD1 3.95Å; L2007-L2011 HydrophobicContact CD1-CB 4.36Å; T2008-L2011 PolarHBondContact O-N 3.16Å; T2008-L2011 VanDerWaalsContact O-N 3.15Å; T2008-L2011 WeakPolarHBondContact OG1-CG 3.4Å; T2008-L2011 PolarHBondContact OG1-N 3.17Å; P2009-L2011 PolarHBondContact O-N 3.16Å; L2011-R2013 VanDerWaalsContact C-N 3.31Å; L2011-R2013 PolarHBondContact O-N 3.07Å; L2011-K2014 PolarHBondContact O-N 2.95Å; L2011-I2015 VanDerWaalsContact O-CG1 3.3Å; L2011-I2015 WeakPolarHBondContact O-CG1 3.39Å; L2011-I2015 PolarHBondContact O-N 3.45Å; L2011-L2055 HydrophobicContact CD2-CD1 4.41Å; L2011-L2058 HydrophobicContact CD2-CD2 3.71Å; L2011-L2058 HydrophobicContact CD2-CG 3.96Å; L2011-L2059 HydrophobicContact CB-CD2 4.45Å; L2011-L2059 HydrophobicContact CD1-CD2 3.67Å; L2011-L2059 HydrophobicContact CD2-CD2 3.98Å; L2011-L2059 HydrophobicContact CD2-CG 4.31Å; L2011-L2059 HydrophobicContact CG-CD2 4.26Å; L2011-L2068 HydrophobicContact CD1-CD1 3.72Å; L2011-L2068 HydrophobicContact CD1-CD2 4.46Å; L2011-L2068 HydrophobicContact CD2-CD1 4.44Å; L2011-L2068 HydrophobicContact CD2-CD2 4.11Å; L2011-L2068 HydrophobicContact CG-CD1 3.75Å; L2011-L2068 HydrophobicContact CG-CD2 4.3Å; L2011-W2070 HydrophobicContact CD1-CD2 4.08Å; L2011-W2070 HydrophobicContact CD1-CE3 4.3Å; L2011-W2070 HydrophobicContact CD1-CG 4.3Å |
| 2012 | A | 93 | Very high | 88.1 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.6 | -43.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M2000 L2003 S2004 T2008 P2009 H2010 I2015 L2016 | M2000-A2012 VanDerWaalsContact CE-C 3.45Å; M2000-A2012 HydrophobicContact CE-CB 3.64Å; M2000-A2012 HydrophobicContact SD-CB 3.89Å; L2003-A2012 HydrophobicContact CB-CB 3.77Å; S2004-A2012 WeakPolarHBondContact OG-CB 3.33Å; T2008-A2012 WeakPolarHBondContact O-CB 3.3Å; T2008-A2012 PolarHBondContact O-N 3.29Å; P2009-A2012 PolarHBondContact O-N 3.12Å; H2010-A2012 VanDerWaalsContact C-N 3.35Å; A2012-I2015 WeakPolarHBondContact O-CB 3.38Å; A2012-I2015 PolarHBondContact O-N 3.2Å; A2012-L2016 PolarHBondContact O-N 2.89Å |
| 2013 | R | 90.3 | Very high | 86.1 | Confident | 54.3333 Ų | 54.3333 | 37.1 Ų | 37.1 | 21% | 0.205 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -44.4 | 174.7 | -169.1 | -178.9 | 27.1 | 108.4 | -7.2 | 112 | M2000 P2009 H2010 L2011 I2015 L2016 E2017 E2116 D2131 | M2000-R2013 HydrophobicContact CE-CB 4.44Å; P2009-R2013 WeakPolarHBondContact O-CB 3.37Å; P2009-R2013 PolarHBondContact O-N 3.17Å; H2010-R2013 PolarHBondContact CE1-NH2 2.89Å; H2010-R2013 PolarHBondContact ND1-NH2 3.15Å; H2010-R2013 VanDerWaalsContact ND1-NH2 3.16Å; H2010-R2013 PolarHBondContact O-N 2.97Å; L2011-R2013 VanDerWaalsContact C-N 3.31Å; L2011-R2013 PolarHBondContact O-N 3.07Å; R2013-I2015 VanDerWaalsContact C-N 3.28Å; R2013-I2015 PolarHBondContact O-N 3.24Å; R2013-L2016 WeakPolarHBondContact O-CA 3.31Å; R2013-L2016 WeakPolarHBondContact O-CB 3.33Å; R2013-L2016 PolarHBondContact O-N 3.09Å; R2013-L2016 VanDerWaalsContact O-N 3.1Å; R2013-E2017 IonicContact CZ-OE1 3.67Å; R2013-E2017 IonicContact NH1-OE1 3.47Å; R2013-E2017 PolarHBondContact NH1-OE1 3.42Å; R2013-E2017 WeakPolarHBondContact O-CG 3.46Å; R2013-E2017 PolarHBondContact O-N 3.15Å; R2013-E2116 WeakPolarHBondContact CB-OE1 3.48Å; R2013-E2116 WeakPolarHBondContact CD-OE1 3.49Å; R2013-E2116 IonicContact CZ-OE1 2.68Å; R2013-E2116 IonicContact CZ-OE2 3.28Å; R2013-E2116 VanDerWaalsContact CZ-OE2 3.28Å; R2013-E2116 IonicContact NE-OE1 3.2Å; R2013-E2116 PolarHBondContact NE-OE1 3.32Å; R2013-E2116 IonicContact NE-OE2 3.43Å; R2013-E2116 PolarHBondContact NE-OE2 3.17Å; R2013-E2116 VanDerWaalsContact NE-OE2 3.16Å; R2013-E2116 IonicContact NH2-OE2 3.3Å; R2013-E2116 PolarHBondContact NH2-OE2 3.17Å; R2013-D2131 IonicContact CZ-OD2 3.54Å; R2013-D2131 IonicContact NH1-OD2 3.16Å; R2013-D2131 PolarHBondContact NH1-OD2 2.96Å; R2013-D2131 IonicContact NH2-OD2 2.73Å; R2013-D2131 PolarHBondContact NH2-OD2 3.15Å; R2013-D2131 VanDerWaalsContact NH2-OD2 3.13Å |
| 2014 | K | 91.7 | Very high | 84 | Confident | 46.3333 Ų | 46.3333 | 39.6 Ų | 39.6 | 20% | 0.201 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.8 | -33.6 | 175.8 | -74.5 | -172 | 176.9 | -64.9 | 0 | 113.1 | H2010 L2011 Y2051 L2055 L2058 | H2010-K2014 VanDerWaalsContact CE1-CE 3.44Å; H2010-K2014 WeakPolarHBondContact CE1-CE 3.38Å; H2010-K2014 WeakPolarHBondContact NE2-CE 3.45Å; H2010-K2014 WeakPolarHBondContact O-CG 3.36Å; H2010-K2014 PolarHBondContact O-N 3.35Å; H2010-K2014 VanDerWaalsContact O-N 3.11Å; L2011-K2014 PolarHBondContact O-N 2.95Å; K2014-Y2051 PolarHBondContact O-OH 2.93Å; K2014-L2055 HydrophobicContact CB-CD1 3.56Å; K2014-L2055 HydrophobicContact CB-CD2 4.2Å; K2014-L2055 HydrophobicContact CD-CD1 4.15Å; K2014-L2055 HydrophobicContact CD-CD2 3.85Å; K2014-L2055 HydrophobicContact CG-CD1 4.47Å; K2014-L2055 HydrophobicContact CG-CD2 4.23Å; K2014-L2055 WeakPolarHBondContact O-CD1 3.42Å; K2014-L2058 HydrophobicContact CD-CD2 3.88Å |
| 2015 | I | 94 | Very high | 81.5 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.5 | -42.2 | 171.9 | -68.8 | 168.4 | 0 | 0 | 0 | 110.5 | L1970 I1973 V1977 L2003 L2007 L2011 A2012 R2013 E2017 L2018 L2055 | L1970-I2015 HydrophobicContact CD1-CD1 4.22Å; L1970-I2015 HydrophobicContact CD1-CG1 4.09Å; I1973-I2015 HydrophobicContact CG2-CD1 4.5Å; I1973-I2015 HydrophobicContact CG2-CG2 3.97Å; V1977-I2015 HydrophobicContact CG2-CG2 4.18Å; L2003-I2015 HydrophobicContact CD1-CD1 4.37Å; L2003-I2015 HydrophobicContact CD1-CG2 4.21Å; L2003-I2015 HydrophobicContact CD2-CD1 4.29Å; L2007-I2015 HydrophobicContact CD1-CD1 3.58Å; L2011-I2015 VanDerWaalsContact O-CG1 3.3Å; L2011-I2015 WeakPolarHBondContact O-CG1 3.39Å; L2011-I2015 PolarHBondContact O-N 3.45Å; A2012-I2015 WeakPolarHBondContact O-CB 3.38Å; A2012-I2015 PolarHBondContact O-N 3.2Å; R2013-I2015 VanDerWaalsContact C-N 3.28Å; R2013-I2015 PolarHBondContact O-N 3.24Å; I2015-E2017 VanDerWaalsContact C-N 3.31Å; I2015-E2017 PolarHBondContact O-N 3.16Å; I2015-L2018 HydrophobicContact CG2-CD1 4.4Å; I2015-L2018 VanDerWaalsContact O-CB 3.25Å; I2015-L2018 WeakPolarHBondContact O-CB 3.41Å; I2015-L2018 WeakPolarHBondContact O-CD1 3.37Å; I2015-L2018 WeakPolarHBondContact O-CG 3.36Å; I2015-L2018 PolarHBondContact O-N 3.21Å; I2015-L2018 VanDerWaalsContact O-N 3.07Å; I2015-L2055 HydrophobicContact CG1-CD2 3.82Å |
| 2016 | L | 90.3 | Very high | 79 | Confident | 59.6667 Ų | 59.6667 | 45.7 Ų | 45.7 | 31% | 0.312 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.4 | -40.1 | 175.9 | 179.6 | 69.9 | 0 | 0 | 0 | 111.9 | V1977 N1978 M2000 A2012 R2013 L2018 N2019 | V1977-L2016 HydrophobicContact CG1-CB 4.33Å; V1977-L2016 HydrophobicContact CG1-CD1 3.62Å; N1978-L2016 PolarHBondContact ND2-O 2.99Å; N1978-L2016 VanDerWaalsContact ND2-O 3.13Å; N1978-L2016 WeakPolarHBondContact OD1-CD1 3.25Å; N1978-L2016 PolarHBondContact OD1-O 3.34Å; M2000-L2016 HydrophobicContact CE-CD2 4.46Å; M2000-L2016 HydrophobicContact SD-CB 4.44Å; A2012-L2016 PolarHBondContact O-N 2.89Å; R2013-L2016 WeakPolarHBondContact O-CA 3.31Å; R2013-L2016 WeakPolarHBondContact O-CB 3.33Å; R2013-L2016 PolarHBondContact O-N 3.09Å; R2013-L2016 VanDerWaalsContact O-N 3.1Å; L2016-L2018 PolarHBondContact O-N 3.18Å; L2016-N2019 WeakPolarHBondContact O-CB 3.45Å; L2016-N2019 VanDerWaalsContact O-CG 3.22Å; L2016-N2019 PolarHBondContact O-N 3.31Å; L2016-N2019 VanDerWaalsContact O-N 3.08Å; L2016-N2019 PolarHBondContact O-ND2 3.27Å; L2016-N2019 PolarHBondContact O-OD1 3.39Å |
| 2017 | E | 88.5 | Confident | 76.2 | Confident | 55.6667 Ų | 55.6667 | 49.1 Ų | 49.1 | 26% | 0.26 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -59.2 | -13.5 | 176.5 | -74 | 171.2 | -165.4 | 0 | 0 | 114.2 | R2013 I2015 N2019 I2020 Y2051 | R2013-E2017 IonicContact CZ-OE1 3.67Å; R2013-E2017 IonicContact NH1-OE1 3.47Å; R2013-E2017 PolarHBondContact NH1-OE1 3.42Å; R2013-E2017 WeakPolarHBondContact O-CG 3.46Å; R2013-E2017 PolarHBondContact O-N 3.15Å; I2015-E2017 VanDerWaalsContact C-N 3.31Å; I2015-E2017 PolarHBondContact O-N 3.16Å; E2017-N2019 PolarHBondContact O-N 3.06Å; E2017-N2019 VanDerWaalsContact O-N 3.11Å; E2017-I2020 HydrophobicContact CB-CD1 4.17Å; E2017-I2020 HydrophobicContact CG-CD1 4.28Å; E2017-I2020 WeakPolarHBondContact O-CB 3.38Å; E2017-I2020 WeakPolarHBondContact O-CG1 3.32Å; E2017-I2020 PolarHBondContact O-N 3.09Å; E2017-I2020 VanDerWaalsContact O-N 3.07Å; E2017-Y2051 HydrophobicContact CB-CE1 4.49Å; E2017-Y2051 WeakPolarHBondContact CB-OH 3.4Å; E2017-Y2051 PolarHBondContact OE2-OH 3.19Å; E2017-Y2051 VanDerWaalsContact OE2-OH 3.1Å |
| 2018 | L | 86.9 | Confident | 73.2 | Confident | 5.33333 Ų | 5.33333 | 59 Ų | 59 | 3% | 0.028 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -57.8 | -22.8 | 172.7 | -74.4 | 167.2 | 0 | 0 | 0 | 113 | W1971 I2015 L2016 I2020 Y2021 Y2051 L2052 L2055 | W1971-L2018 HydrophobicContact CE3-CD2 4.45Å; W1971-L2018 HydrophobicContact CZ3-CB 4.27Å; I2015-L2018 HydrophobicContact CG2-CD1 4.4Å; I2015-L2018 VanDerWaalsContact O-CB 3.25Å; I2015-L2018 WeakPolarHBondContact O-CB 3.41Å; I2015-L2018 WeakPolarHBondContact O-CD1 3.37Å; I2015-L2018 WeakPolarHBondContact O-CG 3.36Å; I2015-L2018 PolarHBondContact O-N 3.21Å; I2015-L2018 VanDerWaalsContact O-N 3.07Å; L2016-L2018 PolarHBondContact O-N 3.18Å; L2018-I2020 VanDerWaalsContact C-N 3.26Å; L2018-I2020 PolarHBondContact O-N 3.18Å; L2018-Y2021 PolarHBondContact O-N 3.28Å; L2018-Y2021 VanDerWaalsContact O-N 3.13Å; L2018-Y2051 HydrophobicContact CD2-CD1 3.55Å; L2018-Y2051 HydrophobicContact CD2-CE1 3.85Å; L2018-Y2051 HydrophobicContact CG-CD1 4.32Å; L2018-Y2051 HydrophobicContact CG-CE1 4.11Å; L2018-L2052 HydrophobicContact CD1-CD2 3.86Å; L2018-L2052 HydrophobicContact CD2-CD1 4.4Å; L2018-L2052 HydrophobicContact CD2-CD2 3.58Å; L2018-L2052 HydrophobicContact CD2-CG 3.71Å; L2018-L2052 HydrophobicContact CG-CD2 4.42Å; L2018-L2055 HydrophobicContact CD1-CD1 4.33Å; L2018-L2055 HydrophobicContact CD1-CD2 4.26Å; L2018-L2055 HydrophobicContact CD2-CD1 4.36Å; L2018-L2055 HydrophobicContact CG-CD1 4.2Å; L2018-L2055 HydrophobicContact CG-CD2 4.42Å |
| 2019 | N | 81 | Confident | 70.6 | Confident | 76 Ų | 76 | 65.7 Ų | 65.7 | 41% | 0.406 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -59.7 | -32.7 | 174.2 | 172 | 8.2 | 0 | 0 | 0 | 113.3 | N1978 L2016 E2017 Y2021 D2022 | N1978-N2019 HydrophobicContact CB-CB 4.49Å; N1978-N2019 WeakPolarHBondContact ND2-CA 3.48Å; N1978-N2019 VanDerWaalsContact ND2-CB 3.35Å; N1978-N2019 WeakPolarHBondContact ND2-CB 3.33Å; N1978-N2019 PolarHBondContact ND2-N 3Å; N1978-N2019 VanDerWaalsContact OD1-CB 3.29Å; N1978-N2019 WeakPolarHBondContact OD1-CB 3.34Å; N1978-N2019 PolarHBondContact OD1-ND2 3.44Å; N1978-N2019 VanDerWaalsContact OD1-ND2 3.08Å; L2016-N2019 WeakPolarHBondContact O-CB 3.45Å; L2016-N2019 VanDerWaalsContact O-CG 3.22Å; L2016-N2019 PolarHBondContact O-N 3.31Å; L2016-N2019 VanDerWaalsContact O-N 3.08Å; L2016-N2019 PolarHBondContact O-ND2 3.27Å; L2016-N2019 PolarHBondContact O-OD1 3.39Å; E2017-N2019 PolarHBondContact O-N 3.06Å; E2017-N2019 VanDerWaalsContact O-N 3.11Å; N2019-Y2021 PolarHBondContact O-N 3.2Å; N2019-Y2021 VanDerWaalsContact O-N 3.1Å; N2019-D2022 WeakPolarHBondContact O-CB 3.28Å; N2019-D2022 PolarHBondContact O-N 3.2Å |
| 2020 | I | 80.8 | Confident | 67.7 | Low | 122.667 Ų | 122.667 | 68.4 Ų | 68.4 | 63% | 0.629 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -59.3 | -31.2 | -179.2 | -58.3 | 171.9 | 0 | 0 | 0 | 110.1 | E2017 L2018 S2023 | E2017-I2020 HydrophobicContact CB-CD1 4.17Å; E2017-I2020 HydrophobicContact CG-CD1 4.28Å; E2017-I2020 WeakPolarHBondContact O-CB 3.38Å; E2017-I2020 WeakPolarHBondContact O-CG1 3.32Å; E2017-I2020 PolarHBondContact O-N 3.09Å; E2017-I2020 VanDerWaalsContact O-N 3.07Å; L2018-I2020 VanDerWaalsContact C-N 3.26Å; L2018-I2020 PolarHBondContact O-N 3.18Å; I2020-S2023 PolarHBondContact O-OG 3.34Å |
| 2021 | Y | 75 | Confident | 64.9 | Low | 73.6667 Ų | 73.6667 | 75.1 Ų | 75.1 | 29% | 0.289 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -91.7 | -3.6 | -179.8 | -56.9 | -81.2 | 0 | 0 | 0 | 113.9 | L2018 N2019 S2023 R2048 Y2051 | L2018-Y2021 PolarHBondContact O-N 3.28Å; L2018-Y2021 VanDerWaalsContact O-N 3.13Å; N2019-Y2021 PolarHBondContact O-N 3.2Å; N2019-Y2021 VanDerWaalsContact O-N 3.1Å; Y2021-S2023 VanDerWaalsContact C-N 3.3Å; Y2021-S2023 PolarHBondContact O-N 3.12Å; Y2021-S2023 VanDerWaalsContact O-N 3.14Å; Y2021-R2048 HydrophobicContact CD1-CB 4.4Å; Y2021-R2048 HydrophobicContact CG-CB 4.26Å; Y2021-R2048 HydrophobicContact CG-CG 4.5Å; Y2021-Y2051 AromaticContact CD2-CD1 3.98Å; Y2021-Y2051 HydrophobicContact CD2-CD1 4.02Å; Y2021-Y2051 HydrophobicContact CD2-CG 4.2Å; Y2021-Y2051 AromaticContact CE2-CD1 3.57Å; Y2021-Y2051 HydrophobicContact CE2-CD1 3.57Å; Y2021-Y2051 AromaticContact CE2-CD2 3.59Å; Y2021-Y2051 HydrophobicContact CE2-CD2 3.79Å; Y2021-Y2051 AromaticContact CE2-CE1 3.93Å; Y2021-Y2051 HydrophobicContact CE2-CE1 4.04Å; Y2021-Y2051 AromaticContact CE2-CE2 3.93Å; Y2021-Y2051 HydrophobicContact CE2-CE2 4Å; Y2021-Y2051 AromaticContact CE2-CG 3.44Å; Y2021-Y2051 HydrophobicContact CE2-CG 3.44Å; Y2021-Y2051 AromaticContact CZ-CD2 3.7Å; Y2021-Y2051 AromaticContact CZ-CG 3.78Å; Y2021-Y2051 VanDerWaalsContact OH-CD2 3.26Å; Y2021-Y2051 WeakPolarHBondContact OH-CD2 3.24Å |
| 2022 | D | 64.9 | Low | 62 | Low | 27.3333 Ų | 27.3333 | 78.2 Ų | 78.2 | 15% | 0.146 | 43% | 0.433 | C | S | . | . | trans | -85 | 57.3 | 178.5 | -154.5 | 7.2 | 0 | 0 | 0 | 111.4 | W1971 R1975 N2019 S2024 | W1971-D2022 HydrophobicContact CH2-CB 3.97Å; R1975-D2022 WeakPolarHBondContact CD-OD2 3.4Å; R1975-D2022 IonicContact CZ-OD1 3.5Å; R1975-D2022 IonicContact CZ-OD2 3.32Å; R1975-D2022 IonicContact NE-OD2 3.73Å; R1975-D2022 IonicContact NH1-OD1 3.12Å; R1975-D2022 PolarHBondContact NH1-OD1 3.09Å; R1975-D2022 IonicContact NH1-OD2 3.03Å; R1975-D2022 PolarHBondContact NH1-OD2 3.26Å; R1975-D2022 IonicContact NH2-OD2 3.37Å; R1975-D2022 PolarHBondContact NH2-OD2 3.26Å; N2019-D2022 WeakPolarHBondContact O-CB 3.28Å; N2019-D2022 PolarHBondContact O-N 3.2Å; D2022-S2024 VanDerWaalsContact CG-OG 3.28Å; D2022-S2024 PolarHBondContact O-N 3.1Å; D2022-S2024 WeakPolarHBondContact OD1-CB 3.46Å; D2022-S2024 PolarHBondContact OD1-OG 3.28Å; D2022-S2024 WeakPolarHBondContact OD2-CB 3.24Å; D2022-S2024 PolarHBondContact OD2-OG 3.07Å | ||
| 2023 | S | 50 | Low | 59.1 | Low | 100 Ų | 100 | 84.8 Ų | 84.8 | 70% | 0.699 | 47% | 0.469 | S | S | * | . | trans | -75.3 | 9.8 | 179 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | I2020 Y2021 Q2025 | I2020-S2023 PolarHBondContact O-OG 3.34Å; Y2021-S2023 VanDerWaalsContact C-N 3.3Å; Y2021-S2023 PolarHBondContact O-N 3.12Å; Y2021-S2023 VanDerWaalsContact O-N 3.14Å; S2023-Q2025 VanDerWaalsContact C-N 3.25Å; S2023-Q2025 PolarHBondContact O-N 3.14Å | ||
| 2024 | S | 47.9 | Very low | 56.5 | Low | 52 Ų | 52 | 88.6 Ų | 88.6 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | trans | -69.9 | 83.4 | 172.1 | 67.5 | 0 | 0 | 0 | 0 | 110.9 | D2022 I2026 | D2022-S2024 VanDerWaalsContact CG-OG 3.28Å; D2022-S2024 PolarHBondContact O-N 3.1Å; D2022-S2024 WeakPolarHBondContact OD1-CB 3.46Å; D2022-S2024 PolarHBondContact OD1-OG 3.28Å; D2022-S2024 WeakPolarHBondContact OD2-CB 3.24Å; D2022-S2024 PolarHBondContact OD2-OG 3.07Å; S2024-I2026 WeakPolarHBondContact O-CG1 3.39Å; S2024-I2026 PolarHBondContact O-N 3Å; S2024-I2026 VanDerWaalsContact O-N 3.12Å; S2024-I2026 WeakPolarHBondContact OG-CG1 3.32Å | ||
| 2025 | Q | 39.2 | Very low | 53.6 | Low | 149.333 Ų | 149.333 | 93.4 Ų | 93.4 | 70% | 0.698 | 52% | 0.521 | S | S | * | . | trans | -43.6 | 86.4 | 153.2 | -65.6 | -154.4 | 3 | 0 | 0 | 110.3 | S2023 G2027 R2028 | S2023-Q2025 VanDerWaalsContact C-N 3.25Å; S2023-Q2025 PolarHBondContact O-N 3.14Å; Q2025-G2027 PolarHBondContact O-N 3.1Å; Q2025-R2028 PolarHBondContact O-N 2.99Å | ||
| 2026 | I | 38.3 | Very low | 50.9 | Low | 94 Ų | 94 | 97.1 Ų | 97.1 | 48% | 0.482 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 66.7 | -178.2 | -68.3 | 158.9 | 0 | 0 | 0 | 112.4 | L1874 I1917 R1975 S2024 R2028 | L1874-I2026 HydrophobicContact CD2-CG2 3.7Å; I1917-I2026 HydrophobicContact CD1-CD1 4.15Å; I1917-I2026 HydrophobicContact CD1-CG2 3.66Å; I1917-I2026 HydrophobicContact CG2-CD1 4.26Å; R1975-I2026 VanDerWaalsContact NH2-CD1 3.3Å; S2024-I2026 WeakPolarHBondContact O-CG1 3.39Å; S2024-I2026 PolarHBondContact O-N 3Å; S2024-I2026 VanDerWaalsContact O-N 3.12Å; S2024-I2026 WeakPolarHBondContact OG-CG1 3.32Å; I2026-R2028 PolarHBondContact O-N 3.01Å |
| 2027 | G | 34.8 | Very low | 48.6 | Very low | 71.6667 Ų | 71.6667 | 101.3 Ų | 101.3 | 74% | 0.739 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 157.4 | -1.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | Q2025 | Q2025-G2027 PolarHBondContact O-N 3.1Š|
| 2028 | R | 28.8 | Very low | 46.5 | Very low | 206.333 Ų | 206.333 | 102.4 Ų | 102.4 | 78% | 0.779 | 57% | 0.572 | S | S | * | * | trans | -102.3 | 98.6 | 167.4 | -65.4 | -168.9 | -166 | -158.2 | 5.3 | 108.4 | Q2025 I2026 S2030 | Q2025-R2028 PolarHBondContact O-N 2.99Å; I2026-R2028 PolarHBondContact O-N 3.01Å; R2028-S2030 PolarHBondContact O-N 3.26Å | ||
| 2029 | L | 33.8 | Very low | 44.7 | Very low | 141.333 Ų | 141.333 | 103.7 Ų | 103.7 | 74% | 0.74 | 58% | 0.579 | S | S | * | * | trans | -48.7 | 92.7 | 158.9 | -70.6 | 159.4 | 0 | 0 | 0 | 107.5 | I1739 V1821 N2031 | I1739-L2029 HydrophobicContact CD1-CD1 3.71Å; I1739-L2029 HydrophobicContact CD1-CD2 4.19Å; I1739-L2029 HydrophobicContact CG1-CD1 4.34Å; V1821-L2029 HydrophobicContact CG2-CD1 4.2Å; L2029-N2031 PolarHBondContact O-N 3.19Å | ||
| 2030 | S | 28.8 | Very low | 43.2 | Very low | 87 Ų | 87 | 101.6 Ų | 101.6 | 61% | 0.608 | 57% | 0.566 | S | S | * | * | trans | -77.3 | 118.3 | 180 | 140.6 | 0 | 0 | 0 | 0 | 107.4 | R2028 G2032 | R2028-S2030 PolarHBondContact O-N 3.26Å; S2030-G2032 PolarHBondContact O-N 2.83Å | ||
| 2031 | N | 32.4 | Very low | 42 | Very low | 151.333 Ų | 151.333 | 100.5 Ų | 100.5 | 81% | 0.809 | 56% | 0.562 | S | S | * | * | S | Bend | trans | 0.8 | 101.1 | 167.4 | -76 | -13.6 | 0 | 0 | 0 | 114.3 | L2029 N2033 | L2029-N2031 PolarHBondContact O-N 3.19Å; N2031-N2033 VanDerWaalsContact C-N 3.35Å; N2031-N2033 PolarHBondContact O-N 3Å; N2031-N2033 VanDerWaalsContact O-N 3.08Å |
| 2032 | G | 32 | Very low | 41.5 | Very low | 68 Ų | 68 | 97.8 Ų | 97.8 | 70% | 0.701 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 66.8 | -8.4 | 139.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | S2030 N2034 | S2030-G2032 PolarHBondContact O-N 2.83Å; G2032-N2034 PolarHBondContact O-N 2.97Å; G2032-N2034 VanDerWaalsContact O-N 3.16Å |
| 2033 | N | 31.6 | Very low | 41.5 | Very low | 138.667 Ų | 138.667 | 99.3 Ų | 99.3 | 74% | 0.742 | 56% | 0.563 | S | S | * | * | trans | -82.2 | 104.4 | 171.3 | -77.1 | -2.7 | 0 | 0 | 0 | 107.8 | N2031 D2035 | N2031-N2033 VanDerWaalsContact C-N 3.35Å; N2031-N2033 PolarHBondContact O-N 3Å; N2031-N2033 VanDerWaalsContact O-N 3.08Å; N2033-D2035 CarbonylContact O-C 3.47Å; N2033-D2035 PolarHBondContact O-N 3.16Å | ||
| 2034 | N | 35 | Very low | 42.3 | Very low | 132.667 Ų | 132.667 | 97.7 Ų | 97.7 | 71% | 0.709 | 55% | 0.546 | S | S | * | . | trans | -61.5 | 7.2 | -174.6 | -74.2 | -31.5 | 0 | 0 | 0 | 115.6 | G2032 S2036 | G2032-N2034 PolarHBondContact O-N 2.97Å; G2032-N2034 VanDerWaalsContact O-N 3.16Å; N2034-S2036 PolarHBondContact O-N 3.21Å; N2034-S2036 PolarHBondContact O-OG 3.09Å | ||
| 2035 | D | 32.1 | Very low | 43.4 | Very low | 148 Ų | 148 | 101.6 Ų | 101.6 | 79% | 0.791 | 56% | 0.563 | S | S | * | * | trans | -76.4 | 68.4 | 165.3 | -63.6 | -19 | 0 | 0 | 0 | 107.7 | N2033 Q2037 | N2033-D2035 CarbonylContact O-C 3.47Å; N2033-D2035 PolarHBondContact O-N 3.16Å; D2035-Q2037 PolarHBondContact O-N 3.27Å | ||
| 2036 | S | 37.7 | Very low | 45.4 | Very low | 78.6667 Ų | 78.6667 | 96.9 Ų | 96.9 | 55% | 0.55 | 54% | 0.544 | S | S | * | . | trans | -20.2 | 115.3 | 149.3 | -53.8 | 0 | 0 | 0 | 0 | 107.5 | N2034 I2038 | N2034-S2036 PolarHBondContact O-N 3.21Å; N2034-S2036 PolarHBondContact O-OG 3.09Å; S2036-I2038 WeakPolarHBondContact O-CG1 3.43Å; S2036-I2038 PolarHBondContact O-N 3.19Å | ||
| 2037 | Q | 40.8 | Very low | 47.4 | Very low | 147 Ų | 147 | 96.3 Ų | 96.3 | 69% | 0.687 | 55% | 0.548 | S | S | * | . | trans | -61.6 | 75.7 | 166.3 | -72 | 173.5 | -9.8 | 0 | 0 | 106.5 | D2035 L2039 | D2035-Q2037 PolarHBondContact O-N 3.27Å; Q2037-L2039 VanDerWaalsContact C-N 3.28Å; Q2037-L2039 PolarHBondContact O-N 3.02Å | ||
| 2038 | I | 44.2 | Very low | 49.8 | Very low | 79.3333 Ų | 79.3333 | 94.7 Ų | 94.7 | 41% | 0.407 | 52% | 0.52 | S | S | . | . | trans | -64.5 | 103.2 | 169.3 | -61.1 | 172.4 | 0 | 0 | 0 | 100.9 | S2036 H2040 D2041 | S2036-I2038 WeakPolarHBondContact O-CG1 3.43Å; S2036-I2038 PolarHBondContact O-N 3.19Å; I2038-H2040 HydrophobicContact CG2-CB 4.13Å; I2038-H2040 PolarHBondContact O-N 3.02Å; I2038-D2041 HydrophobicContact CB-CB 3.93Å; I2038-D2041 HydrophobicContact CD1-CB 4.39Å; I2038-D2041 HydrophobicContact CG1-CB 4.45Å; I2038-D2041 HydrophobicContact CG2-CB 4.12Å; I2038-D2041 PolarHBondContact O-N 3.11Å | ||
| 2039 | L | 48.6 | Very low | 52.5 | Low | 33.6667 Ų | 33.6667 | 84.9 Ų | 84.9 | 18% | 0.176 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44 | -27.4 | 177.9 | -175.1 | 67.9 | 0 | 0 | 0 | 112 | A1870 A1871 T1910 S1914 Q2037 R2048 | A1870-L2039 VanDerWaalsContact C-CD2 3.48Å; A1870-L2039 HydrophobicContact CB-CD1 4.12Å; A1870-L2039 HydrophobicContact CB-CD2 3.22Å; A1870-L2039 HydrophobicContact CB-CG 4.18Å; A1871-L2039 HydrophobicContact CB-CD2 4.09Å; T1910-L2039 HydrophobicContact CG2-CD1 3.75Å; T1910-L2039 HydrophobicContact CG2-CD2 4.3Å; T1910-L2039 HydrophobicContact CG2-CG 3.74Å; T1910-L2039 WeakPolarHBondContact CG2-O 3.47Å; S1914-L2039 VanDerWaalsContact OG-CD1 3.29Å; S1914-L2039 WeakPolarHBondContact OG-CD1 3.35Å; Q2037-L2039 VanDerWaalsContact C-N 3.28Å; Q2037-L2039 PolarHBondContact O-N 3.02Å; L2039-R2048 PolarHBondContact O-NH1 3.37Å; L2039-R2048 PolarHBondContact O-NH2 3.26Å |
| 2040 | H | 51.2 | Low | 55.1 | Low | 31.6667 Ų | 31.6667 | 84.2 Ų | 84.2 | 15% | 0.147 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -11 | -176.6 | -49.9 | -54.2 | 0 | 0 | 0 | 115.6 | Y1814 S1867 L1907 T1910 R1964 L1968 I2038 F2042 | Y1814-H2040 AromaticContact CE2-NE2 3.88Å; Y1814-H2040 AromaticContact CZ-NE2 3.78Å; Y1814-H2040 PolarHBondContact OH-CD2 3.21Å; Y1814-H2040 PolarHBondContact OH-NE2 2.77Å; S1867-H2040 PolarHBondContact OG-CE1 3.4Å; S1867-H2040 PolarHBondContact OG-NE2 2.94Å; L1907-H2040 WeakPolarHBondContact CD2-CE1 3.34Å; L1907-H2040 VanDerWaalsContact CD2-ND1 3.31Å; L1907-H2040 WeakPolarHBondContact CD2-ND1 3.38Å; T1910-H2040 VanDerWaalsContact CG2-CD2 3.41Å; T1910-H2040 WeakPolarHBondContact CG2-CD2 3.23Å; T1910-H2040 WeakPolarHBondContact CG2-CE1 3.43Å; T1910-H2040 WeakPolarHBondContact CG2-ND1 3.32Å; T1910-H2040 WeakPolarHBondContact CG2-NE2 3.41Å; T1910-H2040 PolarHBondContact OG1-ND1 3.21Å; R1964-H2040 PolarHBondContact NH2-O 3.11Å; L1968-H2040 HydrophobicContact CD2-CB 3.96Å; I2038-H2040 HydrophobicContact CG2-CB 4.13Å; I2038-H2040 PolarHBondContact O-N 3.02Å; H2040-F2042 PolarHBondContact O-N 3.23Å |
| 2041 | D | 54.6 | Low | 58.1 | Low | 99.6667 Ų | 99.6667 | 81.7 Ų | 81.7 | 53% | 0.533 | 45% | 0.451 | S | S | . | . | trans | -87.9 | 108.9 | 176.6 | -155.6 | 5.2 | 0 | 0 | 0 | 108.6 | I2038 P2043 R2048 | I2038-D2041 HydrophobicContact CB-CB 3.93Å; I2038-D2041 HydrophobicContact CD1-CB 4.39Å; I2038-D2041 HydrophobicContact CG1-CB 4.45Å; I2038-D2041 HydrophobicContact CG2-CB 4.12Å; I2038-D2041 PolarHBondContact O-N 3.11Å; D2041-P2043 VanDerWaalsContact C-CD 3.43Å; D2041-P2043 WeakPolarHBondContact O-CD 3.41Å; D2041-R2048 PolarHBondContact O-NH2 3.42Å | ||
| 2042 | F | 65.1 | Low | 60.9 | Low | 15.3333 Ų | 15.3333 | 74.4 Ų | 74.4 | 7% | 0.067 | 41% | 0.413 | C | S | . | . | trans | -106.6 | 83.2 | 179.7 | -140.1 | -84.7 | 0 | 0 | 0 | 108.2 | L1968 W1971 H2040 L2044 R2048 L2052 R2053 | L1968-F2042 HydrophobicContact CD2-CB 4.02Å; L1968-F2042 HydrophobicContact CD2-CD1 4.48Å; L1968-F2042 HydrophobicContact CD2-CD2 4.01Å; L1968-F2042 HydrophobicContact CD2-CE2 3.81Å; L1968-F2042 VanDerWaalsContact CD2-CE2 3.43Å; L1968-F2042 HydrophobicContact CD2-CG 3.88Å; L1968-F2042 HydrophobicContact CD2-CZ 3.95Å; L1968-F2042 HydrophobicContact CG-CE2 3.87Å; W1971-F2042 HydrophobicContact CB-CE1 4.43Å; W1971-F2042 HydrophobicContact CB-CE2 4.25Å; W1971-F2042 HydrophobicContact CB-CZ 4.04Å; W1971-F2042 HydrophobicContact CD2-CE1 4.31Å; W1971-F2042 AromaticContact CD2-CE2 3.71Å; W1971-F2042 HydrophobicContact CD2-CE2 3.9Å; W1971-F2042 HydrophobicContact CD2-CZ 4.45Å; W1971-F2042 HydrophobicContact CE3-CD2 4.37Å; W1971-F2042 AromaticContact CE3-CE2 3.92Å; W1971-F2042 HydrophobicContact CE3-CE2 4.12Å; W1971-F2042 HydrophobicContact CG-CE1 4.17Å; W1971-F2042 AromaticContact CG-CE2 3.84Å; W1971-F2042 HydrophobicContact CG-CE2 4Å; W1971-F2042 AromaticContact CG-CZ 3.81Å; W1971-F2042 HydrophobicContact CG-CZ 3.98Å; H2040-F2042 PolarHBondContact O-N 3.23Å; F2042-L2044 HydrophobicContact CD1-CD2 3.82Å; F2042-L2044 HydrophobicContact CD1-CG 4.29Å; F2042-L2044 HydrophobicContact CE1-CD2 3.99Å; F2042-L2044 PolarHBondContact O-N 3.19Å; F2042-R2048 HydrophobicContact CD1-CG 4.37Å; F2042-L2052 HydrophobicContact CD1-CD1 3.53Å; F2042-L2052 HydrophobicContact CE1-CD1 3.79Å; F2042-L2052 VanDerWaalsContact CE1-CD1 3.41Å; F2042-L2052 HydrophobicContact CE2-CD1 4.3Å; F2042-L2052 HydrophobicContact CG-CD1 4.2Å; F2042-L2052 HydrophobicContact CZ-CD1 3.55Å; F2042-R2053 PolarHBondContact O-NH1 2.78Å; F2042-R2053 PolarHBondContact O-NH2 2.93Å | ||
| 2043 | P | 64.6 | Low | 63.7 | Low | 59.3333 Ų | 59.3333 | 73.5 Ų | 73.5 | 39% | 0.385 | 39% | 0.388 | S | S | . | . | trans | -65.8 | 116.9 | -176 | 12.8 | -16.2 | 0 | 0 | 0 | 109.9 | D2041 D2045 T2046 | D2041-P2043 VanDerWaalsContact C-CD 3.43Å; D2041-P2043 WeakPolarHBondContact O-CD 3.41Å; P2043-D2045 PolarHBondContact O-N 3.05Å; P2043-D2045 VanDerWaalsContact O-N 3.1Å; P2043-T2046 HydrophobicContact CB-CG2 3.93Å; P2043-T2046 HydrophobicContact CG-CG2 3.7Å; P2043-T2046 WeakPolarHBondContact O-CB 3.41Å; P2043-T2046 WeakPolarHBondContact O-CG2 3.41Å; P2043-T2046 PolarHBondContact O-N 3.24Å; P2043-T2046 VanDerWaalsContact O-N 3.09Å; P2043-T2046 PolarHBondContact O-OG1 3.04Å | ||
| 2044 | L | 67.1 | Low | 66.7 | Low | 67.6667 Ų | 67.6667 | 70.6 Ų | 70.6 | 35% | 0.354 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24.8 | -175.9 | -75.6 | 166.3 | 0 | 0 | 0 | 112.9 | L1967 F2042 T2046 G2049 K2050 R2053 | L1967-L2044 HydrophobicContact CD1-CD2 3.46Å; L1967-L2044 VanDerWaalsContact CD1-CD2 3.46Å; F2042-L2044 HydrophobicContact CD1-CD2 3.82Å; F2042-L2044 HydrophobicContact CD1-CG 4.29Å; F2042-L2044 HydrophobicContact CE1-CD2 3.99Å; F2042-L2044 PolarHBondContact O-N 3.19Å; L2044-T2046 VanDerWaalsContact C-N 3.29Å; L2044-T2046 PolarHBondContact O-N 3.13Å; L2044-G2049 CarbonylContact O-C 3.54Å; L2044-G2049 WeakPolarHBondContact O-CA 3.42Å; L2044-K2050 WeakPolarHBondContact O-CE 3.33Å; L2044-K2050 WeakPolarHBondContact O-CG 3.4Å; L2044-R2053 VanDerWaalsContact CB-NH2 3.32Å; L2044-R2053 PolarHBondContact O-NH1 2.88Å |
| 2045 | D | 71.1 | Confident | 69.5 | Low | 133.667 Ų | 133.667 | 64.5 Ų | 64.5 | 72% | 0.715 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -9.1 | -178.9 | -66.9 | -35.8 | 0 | 0 | 0 | 114.5 | P2043 K2050 | P2043-D2045 PolarHBondContact O-N 3.05Å; P2043-D2045 VanDerWaalsContact O-N 3.1Å; D2045-K2050 WeakPolarHBondContact O-CE 3.31Å; D2045-K2050 PolarHBondContact O-NZ 3.12Å |
| 2046 | T | 80.5 | Confident | 72.5 | Confident | 50.3333 Ų | 50.3333 | 57.5 Ų | 57.5 | 31% | 0.309 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -68.2 | 154.2 | 175.4 | 59.8 | 0 | 0 | 0 | 0 | 111.7 | P2043 L2044 R2048 G2049 K2050 | P2043-T2046 HydrophobicContact CB-CG2 3.93Å; P2043-T2046 HydrophobicContact CG-CG2 3.7Å; P2043-T2046 WeakPolarHBondContact O-CB 3.41Å; P2043-T2046 WeakPolarHBondContact O-CG2 3.41Å; P2043-T2046 PolarHBondContact O-N 3.24Å; P2043-T2046 VanDerWaalsContact O-N 3.09Å; P2043-T2046 PolarHBondContact O-OG1 3.04Å; L2044-T2046 VanDerWaalsContact C-N 3.29Å; L2044-T2046 PolarHBondContact O-N 3.13Å; T2046-R2048 VanDerWaalsContact C-N 3.27Å; T2046-R2048 PolarHBondContact O-N 3.29Å; T2046-G2049 PolarHBondContact O-N 3.32Å; T2046-G2049 VanDerWaalsContact O-N 3.09Å; T2046-G2049 PolarHBondContact OG1-N 3.27Å; T2046-G2049 VanDerWaalsContact OG1-N 3.11Å; T2046-K2050 WeakPolarHBondContact O-CG 3.39Å; T2046-K2050 PolarHBondContact O-N 3.13Å |
| 2047 | S | 81.1 | Confident | 75.2 | Confident | 80.3333 Ų | 80.3333 | 56.8 Ų | 56.8 | 56% | 0.562 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -54.4 | -42.2 | 173.8 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | K2050 Y2051 | S2047-K2050 PolarHBondContact O-N 3.19Å; S2047-Y2051 WeakPolarHBondContact O-CB 3.41Å; S2047-Y2051 PolarHBondContact O-N 2.89Å |
| 2048 | R | 83.9 | Confident | 77.7 | Confident | 39 Ų | 39 | 51.7 Ų | 51.7 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.8 | -49.5 | 172.6 | -172.9 | 179.6 | 67.7 | 171.9 | 2 | 112.2 | W1971 Y2021 L2039 D2041 F2042 T2046 K2050 Y2051 L2052 | W1971-R2048 HydrophobicContact CZ3-CG 4.3Å; Y2021-R2048 HydrophobicContact CD1-CB 4.4Å; Y2021-R2048 HydrophobicContact CG-CB 4.26Å; Y2021-R2048 HydrophobicContact CG-CG 4.5Å; L2039-R2048 PolarHBondContact O-NH1 3.37Å; L2039-R2048 PolarHBondContact O-NH2 3.26Å; D2041-R2048 PolarHBondContact O-NH2 3.42Å; F2042-R2048 HydrophobicContact CD1-CG 4.37Å; T2046-R2048 VanDerWaalsContact C-N 3.27Å; T2046-R2048 PolarHBondContact O-N 3.29Å; R2048-K2050 PolarHBondContact O-N 3.32Å; R2048-Y2051 PolarHBondContact O-N 3.21Å; R2048-L2052 HydrophobicContact CG-CD1 4.11Å; R2048-L2052 WeakPolarHBondContact O-CB 3.33Å; R2048-L2052 PolarHBondContact O-N 3.24Å |
| 2049 | G | 86.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63 | -40.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | L2044 T2046 L2052 R2053 | L2044-G2049 CarbonylContact O-C 3.54Å; L2044-G2049 WeakPolarHBondContact O-CA 3.42Å; T2046-G2049 PolarHBondContact O-N 3.32Å; T2046-G2049 VanDerWaalsContact O-N 3.09Å; T2046-G2049 PolarHBondContact OG1-N 3.27Å; T2046-G2049 VanDerWaalsContact OG1-N 3.11Å; G2049-L2052 PolarHBondContact O-N 2.93Å; G2049-R2053 VanDerWaalsContact O-CG 3.29Å; G2049-R2053 WeakPolarHBondContact O-CG 3.4Å; G2049-R2053 PolarHBondContact O-N 3.22Å; G2049-R2053 PolarHBondContact O-NH1 3.34Å |
| 2050 | K | 88.3 | Confident | 82.3 | Confident | 126.333 Ų | 126.333 | 47.2 Ų | 47.2 | 55% | 0.549 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 175.2 | -69.3 | 176.8 | -178.4 | 173.5 | 0 | 112.2 | L2044 D2045 T2046 S2047 R2048 R2053 S2054 | L2044-K2050 WeakPolarHBondContact O-CE 3.33Å; L2044-K2050 WeakPolarHBondContact O-CG 3.4Å; D2045-K2050 WeakPolarHBondContact O-CE 3.31Å; D2045-K2050 PolarHBondContact O-NZ 3.12Å; T2046-K2050 WeakPolarHBondContact O-CG 3.39Å; T2046-K2050 PolarHBondContact O-N 3.13Å; S2047-K2050 PolarHBondContact O-N 3.19Å; R2048-K2050 PolarHBondContact O-N 3.32Å; K2050-R2053 PolarHBondContact O-N 3.15Å; K2050-S2054 WeakPolarHBondContact O-CB 3.2Å; K2050-S2054 PolarHBondContact O-N 3.05Å |
| 2051 | Y | 91.2 | Very high | 84.3 | Confident | 34 Ų | 34 | 47.4 Ų | 47.4 | 13% | 0.133 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.2 | -44.4 | 178.5 | -173.8 | -98.5 | 0 | 0 | 0 | 111.9 | K2014 E2017 L2018 Y2021 S2047 R2048 R2053 S2054 L2055 | K2014-Y2051 PolarHBondContact O-OH 2.93Å; E2017-Y2051 HydrophobicContact CB-CE1 4.49Å; E2017-Y2051 WeakPolarHBondContact CB-OH 3.4Å; E2017-Y2051 PolarHBondContact OE2-OH 3.19Å; E2017-Y2051 VanDerWaalsContact OE2-OH 3.1Å; L2018-Y2051 HydrophobicContact CD2-CD1 3.55Å; L2018-Y2051 HydrophobicContact CD2-CE1 3.85Å; L2018-Y2051 HydrophobicContact CG-CD1 4.32Å; L2018-Y2051 HydrophobicContact CG-CE1 4.11Å; Y2021-Y2051 AromaticContact CD2-CD1 3.98Å; Y2021-Y2051 HydrophobicContact CD2-CD1 4.02Å; Y2021-Y2051 HydrophobicContact CD2-CG 4.2Å; Y2021-Y2051 AromaticContact CE2-CD1 3.57Å; Y2021-Y2051 HydrophobicContact CE2-CD1 3.57Å; Y2021-Y2051 AromaticContact CE2-CD2 3.59Å; Y2021-Y2051 HydrophobicContact CE2-CD2 3.79Å; Y2021-Y2051 AromaticContact CE2-CE1 3.93Å; Y2021-Y2051 HydrophobicContact CE2-CE1 4.04Å; Y2021-Y2051 AromaticContact CE2-CE2 3.93Å; Y2021-Y2051 HydrophobicContact CE2-CE2 4Å; Y2021-Y2051 AromaticContact CE2-CG 3.44Å; Y2021-Y2051 HydrophobicContact CE2-CG 3.44Å; Y2021-Y2051 AromaticContact CZ-CD2 3.7Å; Y2021-Y2051 AromaticContact CZ-CG 3.78Å; Y2021-Y2051 VanDerWaalsContact OH-CD2 3.26Å; Y2021-Y2051 WeakPolarHBondContact OH-CD2 3.24Å; S2047-Y2051 WeakPolarHBondContact O-CB 3.41Å; S2047-Y2051 PolarHBondContact O-N 2.89Å; R2048-Y2051 PolarHBondContact O-N 3.21Å; Y2051-R2053 VanDerWaalsContact C-N 3.33Å; Y2051-R2053 PolarHBondContact O-N 2.95Å; Y2051-S2054 WeakPolarHBondContact O-CB 3.32Å; Y2051-S2054 PolarHBondContact O-N 3.29Å; Y2051-S2054 VanDerWaalsContact O-N 3.14Å; Y2051-L2055 HydrophobicContact CD1-CD1 3.97Å; Y2051-L2055 HydrophobicContact CD1-CG 4.28Å; Y2051-L2055 HydrophobicContact CE1-CD1 3.38Å; Y2051-L2055 HydrophobicContact CE1-CD2 4.3Å; Y2051-L2055 HydrophobicContact CE1-CG 3.9Å; Y2051-L2055 HydrophobicContact CE2-CD2 4.24Å; Y2051-L2055 HydrophobicContact CE2-CG 4.32Å; Y2051-L2055 WeakPolarHBondContact O-CB 3.45Å; Y2051-L2055 WeakPolarHBondContact O-CG 3.3Å; Y2051-L2055 PolarHBondContact O-N 3.09Å |
| 2052 | L | 91.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.4 | -42.4 | 175.7 | -84.2 | 164.3 | 0 | 0 | 0 | 112.7 | L1967 L1970 W1971 L2018 F2042 R2048 G2049 L2055 A2056 | L1967-L2052 HydrophobicContact CD2-CB 4.21Å; L1970-L2052 HydrophobicContact CB-CD2 4.17Å; L1970-L2052 HydrophobicContact CD2-CD2 3.89Å; L1970-L2052 HydrophobicContact CG-CD2 3.8Å; W1971-L2052 HydrophobicContact CB-CD1 4.11Å; W1971-L2052 HydrophobicContact CB-CD2 4.29Å; W1971-L2052 HydrophobicContact CE3-CD1 4.11Å; W1971-L2052 HydrophobicContact CE3-CD2 4.44Å; W1971-L2052 HydrophobicContact CG-CD1 4.42Å; L2018-L2052 HydrophobicContact CD1-CD2 3.86Å; L2018-L2052 HydrophobicContact CD2-CD1 4.4Å; L2018-L2052 HydrophobicContact CD2-CD2 3.58Å; L2018-L2052 HydrophobicContact CD2-CG 3.71Å; L2018-L2052 HydrophobicContact CG-CD2 4.42Å; F2042-L2052 HydrophobicContact CD1-CD1 3.53Å; F2042-L2052 HydrophobicContact CE1-CD1 3.79Å; F2042-L2052 VanDerWaalsContact CE1-CD1 3.41Å; F2042-L2052 HydrophobicContact CE2-CD1 4.3Å; F2042-L2052 HydrophobicContact CG-CD1 4.2Å; F2042-L2052 HydrophobicContact CZ-CD1 3.55Å; R2048-L2052 HydrophobicContact CG-CD1 4.11Å; R2048-L2052 WeakPolarHBondContact O-CB 3.33Å; R2048-L2052 PolarHBondContact O-N 3.24Å; G2049-L2052 PolarHBondContact O-N 2.93Å; L2052-L2055 PolarHBondContact O-N 3.38Å; L2052-A2056 VanDerWaalsContact O-CB 3.28Å; L2052-A2056 WeakPolarHBondContact O-CB 3.39Å; L2052-A2056 PolarHBondContact O-N 2.82Å |
| 2053 | R | 91.6 | Very high | 87.4 | Confident | 48.6667 Ų | 48.6667 | 47.3 Ų | 47.3 | 18% | 0.184 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.2 | -43 | 174.7 | -73.3 | -179.6 | 173.3 | 116.3 | -12.6 | 112.5 | Y1941 E1946 L1967 F2042 L2044 G2049 K2050 Y2051 L2055 A2056 K2057 | Y1941-R2053 WeakPolarHBondContact OH-CG 3.48Å; E1946-R2053 VanDerWaalsContact CD-NE 3.29Å; E1946-R2053 IonicContact OE1-CZ 3.13Å; E1946-R2053 IonicContact OE1-NE 3.21Å; E1946-R2053 PolarHBondContact OE1-NE 3.09Å; E1946-R2053 IonicContact OE1-NH2 3.54Å; E1946-R2053 PolarHBondContact OE1-NH2 3.32Å; E1946-R2053 VanDerWaalsContact OE1-NH2 3.08Å; E1946-R2053 VanDerWaalsContact OE2-CD 3.24Å; E1946-R2053 WeakPolarHBondContact OE2-CD 3.42Å; E1946-R2053 IonicContact OE2-CZ 3.58Å; E1946-R2053 IonicContact OE2-NE 3.08Å; E1946-R2053 PolarHBondContact OE2-NE 3.27Å; E1946-R2053 VanDerWaalsContact OE2-NE 3.15Å; L1967-R2053 HydrophobicContact CD1-CG 4.03Å; L1967-R2053 HydrophobicContact CD2-CG 4.04Å; F2042-R2053 PolarHBondContact O-NH1 2.78Å; F2042-R2053 PolarHBondContact O-NH2 2.93Å; L2044-R2053 VanDerWaalsContact CB-NH2 3.32Å; L2044-R2053 PolarHBondContact O-NH1 2.88Å; G2049-R2053 VanDerWaalsContact O-CG 3.29Å; G2049-R2053 WeakPolarHBondContact O-CG 3.4Å; G2049-R2053 PolarHBondContact O-N 3.22Å; G2049-R2053 PolarHBondContact O-NH1 3.34Å; K2050-R2053 PolarHBondContact O-N 3.15Å; Y2051-R2053 VanDerWaalsContact C-N 3.33Å; Y2051-R2053 PolarHBondContact O-N 2.95Å; R2053-L2055 VanDerWaalsContact C-N 3.29Å; R2053-L2055 PolarHBondContact O-N 3.07Å; R2053-A2056 PolarHBondContact O-N 2.99Å; R2053-K2057 VanDerWaalsContact O-CB 3.23Å; R2053-K2057 WeakPolarHBondContact O-CB 3.3Å; R2053-K2057 PolarHBondContact O-N 3.14Å |
| 2054 | S | 92.5 | Very high | 88.6 | Confident | 77 Ų | 77 | 48.8 Ų | 48.8 | 54% | 0.538 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 176.2 | -172.3 | 0 | 0 | 0 | 0 | 111.5 | K2050 Y2051 L2058 | K2050-S2054 WeakPolarHBondContact O-CB 3.2Å; K2050-S2054 PolarHBondContact O-N 3.05Å; Y2051-S2054 WeakPolarHBondContact O-CB 3.32Å; Y2051-S2054 PolarHBondContact O-N 3.29Å; Y2051-S2054 VanDerWaalsContact O-N 3.14Å; S2054-L2058 WeakPolarHBondContact O-CB 3.34Å; S2054-L2058 PolarHBondContact O-N 3.06Å |
| 2055 | L | 94.6 | Very high | 89.8 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.4 | -44.4 | 177.9 | -145.5 | 87.4 | 0 | 0 | 0 | 112.3 | L1970 L2011 K2014 I2015 L2018 Y2051 L2052 R2053 K2057 L2058 L2059 | L1970-L2055 HydrophobicContact CD1-CD2 4.29Å; L1970-L2055 HydrophobicContact CD2-CB 4.04Å; L1970-L2055 HydrophobicContact CD2-CD2 4.11Å; L1970-L2055 HydrophobicContact CD2-CG 4.01Å; L1970-L2055 HydrophobicContact CG-CD2 4.44Å; L2011-L2055 HydrophobicContact CD2-CD1 4.41Å; K2014-L2055 HydrophobicContact CB-CD1 3.56Å; K2014-L2055 HydrophobicContact CB-CD2 4.2Å; K2014-L2055 HydrophobicContact CD-CD1 4.15Å; K2014-L2055 HydrophobicContact CD-CD2 3.85Å; K2014-L2055 HydrophobicContact CG-CD1 4.47Å; K2014-L2055 HydrophobicContact CG-CD2 4.23Å; K2014-L2055 WeakPolarHBondContact O-CD1 3.42Å; I2015-L2055 HydrophobicContact CG1-CD2 3.82Å; L2018-L2055 HydrophobicContact CD1-CD1 4.33Å; L2018-L2055 HydrophobicContact CD1-CD2 4.26Å; L2018-L2055 HydrophobicContact CD2-CD1 4.36Å; L2018-L2055 HydrophobicContact CG-CD1 4.2Å; L2018-L2055 HydrophobicContact CG-CD2 4.42Å; Y2051-L2055 HydrophobicContact CD1-CD1 3.97Å; Y2051-L2055 HydrophobicContact CD1-CG 4.28Å; Y2051-L2055 HydrophobicContact CE1-CD1 3.38Å; Y2051-L2055 HydrophobicContact CE1-CD2 4.3Å; Y2051-L2055 HydrophobicContact CE1-CG 3.9Å; Y2051-L2055 HydrophobicContact CE2-CD2 4.24Å; Y2051-L2055 HydrophobicContact CE2-CG 4.32Å; Y2051-L2055 WeakPolarHBondContact O-CB 3.45Å; Y2051-L2055 WeakPolarHBondContact O-CG 3.3Å; Y2051-L2055 PolarHBondContact O-N 3.09Å; L2052-L2055 PolarHBondContact O-N 3.38Å; R2053-L2055 VanDerWaalsContact C-N 3.29Å; R2053-L2055 PolarHBondContact O-N 3.07Å; L2055-K2057 VanDerWaalsContact C-N 3.31Å; L2055-K2057 PolarHBondContact O-N 3.43Å; L2055-L2058 WeakPolarHBondContact O-CB 3.3Å; L2055-L2058 PolarHBondContact O-N 2.91Å; L2055-L2058 VanDerWaalsContact O-N 3.16Å; L2055-L2059 HydrophobicContact CG-CD1 4.31Å; L2055-L2059 WeakPolarHBondContact O-CB 3.27Å; L2055-L2059 WeakPolarHBondContact O-CG 3.31Å; L2055-L2059 PolarHBondContact O-N 3.1Å |
| 2056 | A | 94.8 | Very high | 90.8 | Very high | 0.333333 Ų | 0.333333 | 40.8 Ų | 40.8 | 0% | 0.003 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -40.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y1941 L1967 L1970 L2052 R2053 L2058 L2059 T2060 | Y1941-A2056 HydrophobicContact CD1-CB 3.47Å; Y1941-A2056 VanDerWaalsContact CD1-CB 3.45Å; Y1941-A2056 HydrophobicContact CD2-CB 4.23Å; Y1941-A2056 HydrophobicContact CE1-CB 3.66Å; Y1941-A2056 HydrophobicContact CE2-CB 4.44Å; Y1941-A2056 HydrophobicContact CG-CB 3.77Å; L1967-A2056 HydrophobicContact CD2-CB 3.82Å; L1970-A2056 HydrophobicContact CD2-CB 3.93Å; L2052-A2056 VanDerWaalsContact O-CB 3.28Å; L2052-A2056 WeakPolarHBondContact O-CB 3.39Å; L2052-A2056 PolarHBondContact O-N 2.82Å; R2053-A2056 PolarHBondContact O-N 2.99Å; A2056-L2058 PolarHBondContact O-N 2.84Å; A2056-L2059 WeakPolarHBondContact O-CB 3.37Å; A2056-L2059 PolarHBondContact O-N 2.88Å; A2056-T2060 PolarHBondContact O-N 3.02Å; A2056-T2060 VanDerWaalsContact O-N 3.11Å; A2056-T2060 PolarHBondContact O-OG1 3.28Å; A2056-T2060 VanDerWaalsContact O-OG1 3.07Å |
| 2057 | K | 95 | Very high | 91.2 | Very high | 65.3333 Ų | 65.3333 | 38.8 Ų | 38.8 | 28% | 0.284 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.4 | -49.1 | 172 | -179.3 | 172.1 | -176.4 | 173.1 | 0 | 111 | Y1941 F1943 E1947 R2053 L2055 L2059 T2060 T2061 | Y1941-K2057 HydrophobicContact CE1-CB 4.36Å; F1943-K2057 HydrophobicContact CB-CB 4.2Å; F1943-K2057 HydrophobicContact CB-CD 4.22Å; F1943-K2057 HydrophobicContact CB-CG 4.06Å; F1943-K2057 HydrophobicContact CD1-CG 3.94Å; F1943-K2057 HydrophobicContact CD2-CD 3.9Å; F1943-K2057 VanDerWaalsContact CD2-CE 3.48Å; F1943-K2057 HydrophobicContact CD2-CG 4.15Å; F1943-K2057 HydrophobicContact CE1-CG 4.41Å; F1943-K2057 HydrophobicContact CE2-CD 4.44Å; F1943-K2057 HydrophobicContact CG-CB 4.41Å; F1943-K2057 HydrophobicContact CG-CD 3.98Å; F1943-K2057 HydrophobicContact CG-CG 3.77Å; E1947-K2057 VanDerWaalsContact CD-NZ 3.29Å; E1947-K2057 IonicContact OE1-NZ 3.44Å; E1947-K2057 PolarHBondContact OE1-NZ 3.34Å; E1947-K2057 IonicContact OE2-NZ 2.98Å; E1947-K2057 PolarHBondContact OE2-NZ 3.02Å; E1947-K2057 VanDerWaalsContact OE2-NZ 3.17Å; R2053-K2057 VanDerWaalsContact O-CB 3.23Å; R2053-K2057 WeakPolarHBondContact O-CB 3.3Å; R2053-K2057 PolarHBondContact O-N 3.14Å; L2055-K2057 VanDerWaalsContact C-N 3.31Å; L2055-K2057 PolarHBondContact O-N 3.43Å; K2057-L2059 VanDerWaalsContact C-N 3.27Å; K2057-L2059 PolarHBondContact O-N 3.27Å; K2057-T2060 CarbonylContact O-C 3.36Å; K2057-T2060 PolarHBondContact O-N 3.03Å; K2057-T2060 PolarHBondContact O-OG1 3.29Å; K2057-T2060 VanDerWaalsContact O-OG1 3.05Å; K2057-T2061 HydrophobicContact CG-CG2 3.88Å; K2057-T2061 WeakPolarHBondContact O-CB 3.41Å; K2057-T2061 VanDerWaalsContact O-CG2 3.29Å; K2057-T2061 WeakPolarHBondContact O-CG2 3.28Å; K2057-T2061 PolarHBondContact O-N 3.11Å; K2057-T2061 PolarHBondContact O-OG1 3.18Å |
| 2058 | L | 94.2 | Very high | 91.7 | Very high | 39 Ų | 39 | 35 Ų | 35 | 20% | 0.204 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.7 | -40.6 | 177.5 | -174.7 | 62.6 | 0 | 0 | 0 | 111.9 | L2011 K2014 S2054 L2055 A2056 T2060 T2061 L2068 | L2011-L2058 HydrophobicContact CD2-CD2 3.71Å; L2011-L2058 HydrophobicContact CD2-CG 3.96Å; K2014-L2058 HydrophobicContact CD-CD2 3.88Å; S2054-L2058 WeakPolarHBondContact O-CB 3.34Å; S2054-L2058 PolarHBondContact O-N 3.06Å; L2055-L2058 WeakPolarHBondContact O-CB 3.3Å; L2055-L2058 PolarHBondContact O-N 2.91Å; L2055-L2058 VanDerWaalsContact O-N 3.16Å; A2056-L2058 PolarHBondContact O-N 2.84Å; L2058-T2060 VanDerWaalsContact C-N 3.3Å; L2058-T2060 PolarHBondContact O-N 3.31Å; L2058-T2061 WeakPolarHBondContact CA-OG1 3.34Å; L2058-T2061 PolarHBondContact O-N 3.23Å; L2058-T2061 PolarHBondContact O-OG1 2.98Å; L2058-L2068 HydrophobicContact CD1-CD2 3.77Å; L2058-L2068 HydrophobicContact CD2-CD2 4.11Å; L2058-L2068 HydrophobicContact CG-CD2 3.92Å |
| 2059 | L | 94.5 | Very high | 92 | Very high | 1.33333 Ų | 1.33333 | 33.9 Ų | 33.9 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.4 | -23.2 | 176.7 | -75.1 | 164.9 | 0 | 0 | 0 | 113.8 | V1938 L1970 L2007 L2011 L2055 A2056 K2057 W2070 R2075 | V1938-L2059 HydrophobicContact CG1-CD1 3.73Å; L1970-L2059 HydrophobicContact CD1-CD1 3.82Å; L1970-L2059 HydrophobicContact CD2-CD1 4.27Å; L2007-L2059 HydrophobicContact CD1-CD2 3.9Å; L2007-L2059 HydrophobicContact CD2-CD2 3.87Å; L2007-L2059 HydrophobicContact CG-CD2 4.43Å; L2011-L2059 HydrophobicContact CB-CD2 4.45Å; L2011-L2059 HydrophobicContact CD1-CD2 3.67Å; L2011-L2059 HydrophobicContact CD2-CD2 3.98Å; L2011-L2059 HydrophobicContact CD2-CG 4.31Å; L2011-L2059 HydrophobicContact CG-CD2 4.26Å; L2055-L2059 HydrophobicContact CG-CD1 4.31Å; L2055-L2059 WeakPolarHBondContact O-CB 3.27Å; L2055-L2059 WeakPolarHBondContact O-CG 3.31Å; L2055-L2059 PolarHBondContact O-N 3.1Å; A2056-L2059 WeakPolarHBondContact O-CB 3.37Å; A2056-L2059 PolarHBondContact O-N 2.88Å; K2057-L2059 VanDerWaalsContact C-N 3.27Å; K2057-L2059 PolarHBondContact O-N 3.27Å; L2059-W2070 PolarHBondContact O-NE1 2.99Å; L2059-R2075 VanDerWaalsContact O-CD 3.29Å; L2059-R2075 WeakPolarHBondContact O-CD 3.39Å; L2059-R2075 PolarHBondContact O-NE 3.17Å |
| 2060 | T | 93.7 | Very high | 92.4 | Very high | 18 Ų | 18 | 33.9 Ų | 33.9 | 11% | 0.11 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -109.7 | -2.5 | -178.4 | 57.8 | 0 | 0 | 0 | 0 | 114.1 | Y1941 A2056 K2057 L2058 R2075 | Y1941-T2060 WeakPolarHBondContact O-CB 3.39Å; Y1941-T2060 WeakPolarHBondContact O-CG2 3.3Å; Y1941-T2060 PolarHBondContact O-OG1 2.64Å; Y1941-T2060 VanDerWaalsContact O-OG1 3.11Å; A2056-T2060 PolarHBondContact O-N 3.02Å; A2056-T2060 VanDerWaalsContact O-N 3.11Å; A2056-T2060 PolarHBondContact O-OG1 3.28Å; A2056-T2060 VanDerWaalsContact O-OG1 3.07Å; K2057-T2060 CarbonylContact O-C 3.36Å; K2057-T2060 PolarHBondContact O-N 3.03Å; K2057-T2060 PolarHBondContact O-OG1 3.29Å; K2057-T2060 VanDerWaalsContact O-OG1 3.05Å; L2058-T2060 VanDerWaalsContact C-N 3.3Å; L2058-T2060 PolarHBondContact O-N 3.31Å; T2060-R2075 PolarHBondContact O-NH1 3.16Å; T2060-R2075 PolarHBondContact O-NH2 3.15Å |
| 2061 | T | 92.8 | Very high | 92.5 | Very high | 34.3333 Ų | 34.3333 | 30.1 Ų | 30.1 | 21% | 0.211 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -101.6 | 153.1 | 174.2 | 52.8 | 0 | 0 | 0 | 0 | 112 | F1943 K2057 L2058 S2063 | F1943-T2061 HydrophobicContact CD1-CG2 4.01Å; F1943-T2061 HydrophobicContact CE1-CG2 3.31Å; F1943-T2061 HydrophobicContact CE2-CG2 4.45Å; F1943-T2061 HydrophobicContact CZ-CG2 3.63Å; K2057-T2061 HydrophobicContact CG-CG2 3.88Å; K2057-T2061 WeakPolarHBondContact O-CB 3.41Å; K2057-T2061 VanDerWaalsContact O-CG2 3.29Å; K2057-T2061 WeakPolarHBondContact O-CG2 3.28Å; K2057-T2061 PolarHBondContact O-N 3.11Å; K2057-T2061 PolarHBondContact O-OG1 3.18Å; L2058-T2061 WeakPolarHBondContact CA-OG1 3.34Å; L2058-T2061 PolarHBondContact O-N 3.23Å; L2058-T2061 PolarHBondContact O-OG1 2.98Å; T2061-S2063 PolarHBondContact O-N 3.41Å |
| 2062 | N | 93.5 | Very high | 92.5 | Very high | 95.3333 Ų | 95.3333 | 33 Ų | 33 | 51% | 0.51 | 18% | 0.183 | S | C | . | . | trans | -74.7 | 126.7 | 169.4 | -66.1 | -20.8 | 0 | 0 | 0 | 109.6 | W2070 D2071 N2072 R2075 | N2062-W2070 CarbonylContact C-O 3.33Å; N2062-W2070 VanDerWaalsContact CA-O 3.31Å; N2062-W2070 WeakPolarHBondContact CA-O 3.41Å; N2062-D2071 VanDerWaalsContact OD1-CA 3.29Å; N2062-D2071 WeakPolarHBondContact OD1-CA 3.24Å; N2062-N2072 PolarHBondContact ND2-ND2 3.37Å; N2062-N2072 PolarHBondContact OD1-N 3.22Å; N2062-N2072 VanDerWaalsContact OD1-N 3.15Å; N2062-N2072 PolarHBondContact OD1-OD1 3.06Å; N2062-N2072 VanDerWaalsContact OD1-OD1 3.12Å; N2062-R2075 PolarHBondContact OD1-NH2 3.23Å | ||
| 2063 | S | 91.4 | Very high | 92.6 | Very high | 19 Ų | 19 | 40.2 Ų | 40.2 | 13% | 0.133 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 133 | 176.8 | 152.5 | 0 | 0 | 0 | 0 | 110.3 | T2061 L2068 W2070 | T2061-S2063 PolarHBondContact O-N 3.41Å; S2063-L2068 WeakPolarHBondContact OG-CD2 3.41Å; S2063-L2068 WeakPolarHBondContact OG-CG 3.02Å; S2063-W2070 PolarHBondContact N-O 2.99Å; S2063-W2070 PolarHBondContact O-N 3.2Å |
| 2064 | V | 91.1 | Very high | 92.7 | Very high | 90 Ų | 90 | 37.9 Ų | 37.9 | 55% | 0.545 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 98.6 | 173.9 | -176.8 | 0 | 0 | 0 | 0 | 106.8 | L2068 L2121 | V2064-L2068 CarbonylContact C-O 3.38Å; V2064-L2068 WeakPolarHBondContact CA-O 3.38Å; V2064-L2121 HydrophobicContact CG1-CD1 3.74Å; V2064-L2121 HydrophobicContact CG1-CD2 3.74Å; V2064-L2121 HydrophobicContact CG1-CG 4.38Å |
| 2065 | T | 91.6 | Very high | 92.8 | Very high | 33 Ų | 33 | 35.7 Ų | 35.7 | 20% | 0.202 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 163.7 | -179.8 | 63.8 | 0 | 0 | 0 | 0 | 109.1 | Y2067 L2068 L2121 Y2128 | T2065-Y2067 PolarHBondContact O-N 3.27Å; T2065-L2068 PolarHBondContact N-O 2.94Å; T2065-L2068 CarbonylContact O-C 3.56Å; T2065-L2068 PolarHBondContact O-N 2.92Å; T2065-L2068 VanDerWaalsContact O-O 3.13Å; T2065-L2068 PolarHBondContact OG1-N 3.17Å; T2065-L2121 WeakPolarHBondContact O-CD1 3.44Å; T2065-Y2128 HydrophobicContact CG2-CE2 4.29Å |
| 2066 | P | 91.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -25.9 | 176 | -32 | 40.3 | 0 | 0 | 0 | 115.2 | V2117 F2118 Y2122 Y2128 L2130 | P2066-V2117 HydrophobicContact CB-CG1 4.16Å; P2066-V2117 CarbonylContact O-C 3.34Å; P2066-V2117 WeakPolarHBondContact O-CA 3.35Å; P2066-F2118 WeakPolarHBondContact O-CD2 3.44Å; P2066-F2118 PolarHBondContact O-N 3.21Å; P2066-Y2122 HydrophobicContact CB-CD2 4.11Å; P2066-Y2122 HydrophobicContact CG-CD2 4.24Å; P2066-Y2128 HydrophobicContact CB-CD1 3.95Å; P2066-Y2128 HydrophobicContact CB-CE1 4.21Å; P2066-Y2128 HydrophobicContact CB-CG 4.4Å; P2066-Y2128 HydrophobicContact CG-CD1 3.65Å; P2066-Y2128 HydrophobicContact CG-CD2 4.1Å; P2066-Y2128 HydrophobicContact CG-CE1 4.19Å; P2066-Y2128 HydrophobicContact CG-CG 3.6Å; P2066-L2130 HydrophobicContact CB-CD2 4.43Å |
| 2067 | Y | 90.3 | Very high | 92.7 | Very high | 9 Ų | 9 | 39.3 Ų | 39.3 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -18.4 | 175.4 | -78.1 | -59.3 | 0 | 0 | 0 | 115 | H2010 T2065 E2116 V2117 Y2128 L2130 D2131 | H2010-Y2067 VanDerWaalsContact CB-O 3.27Å; H2010-Y2067 WeakPolarHBondContact CB-O 3.37Å; H2010-Y2067 AromaticContact CE1-CG 3.81Å; H2010-Y2067 AromaticContact ND1-CD1 3.76Å; H2010-Y2067 AromaticContact ND1-CG 3.78Å; T2065-Y2067 PolarHBondContact O-N 3.27Å; Y2067-E2116 HydrophobicContact CD1-CB 4.12Å; Y2067-E2116 WeakPolarHBondContact CD1-O 3.48Å; Y2067-E2116 HydrophobicContact CE1-CB 4.04Å; Y2067-V2117 HydrophobicContact CD1-CG2 4.1Å; Y2067-V2117 HydrophobicContact CE1-CG2 3.65Å; Y2067-Y2128 AromaticContact CD2-CE1 3.71Å; Y2067-Y2128 HydrophobicContact CD2-CE1 3.71Å; Y2067-Y2128 AromaticContact CE2-CE1 3.93Å; Y2067-Y2128 HydrophobicContact CE2-CE1 3.96Å; Y2067-L2130 HydrophobicContact CD2-CD2 4.48Å; Y2067-L2130 HydrophobicContact CE1-CD2 4.39Å; Y2067-L2130 HydrophobicContact CE2-CB 4.46Å; Y2067-L2130 HydrophobicContact CE2-CD2 3.79Å; Y2067-L2130 WeakPolarHBondContact OH-CA 3.23Å; Y2067-L2130 WeakPolarHBondContact OH-CB 3.43Å; Y2067-D2131 HydrophobicContact CE2-CB 4.37Å; Y2067-D2131 PolarHBondContact OH-N 3.07Å |
| 2068 | L | 91.5 | Very high | 92.7 | Very high | 1.33333 Ų | 1.33333 | 36.2 Ų | 36.2 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 114.3 | -165.3 | -174 | 61.2 | 0 | 0 | 0 | 111.7 | T2008 L2011 L2058 S2063 V2064 T2065 W2070 | T2008-L2068 HydrophobicContact CG2-CD1 3.71Å; T2008-L2068 WeakPolarHBondContact OG1-CD1 3.38Å; L2011-L2068 HydrophobicContact CD1-CD1 3.72Å; L2011-L2068 HydrophobicContact CD1-CD2 4.46Å; L2011-L2068 HydrophobicContact CD2-CD1 4.44Å; L2011-L2068 HydrophobicContact CD2-CD2 4.11Å; L2011-L2068 HydrophobicContact CG-CD1 3.75Å; L2011-L2068 HydrophobicContact CG-CD2 4.3Å; L2058-L2068 HydrophobicContact CD1-CD2 3.77Å; L2058-L2068 HydrophobicContact CD2-CD2 4.11Å; L2058-L2068 HydrophobicContact CG-CD2 3.92Å; S2063-L2068 WeakPolarHBondContact OG-CD2 3.41Å; S2063-L2068 WeakPolarHBondContact OG-CG 3.02Å; V2064-L2068 CarbonylContact C-O 3.38Å; V2064-L2068 WeakPolarHBondContact CA-O 3.38Å; T2065-L2068 PolarHBondContact N-O 2.94Å; T2065-L2068 CarbonylContact O-C 3.56Å; T2065-L2068 PolarHBondContact O-N 2.92Å; T2065-L2068 VanDerWaalsContact O-O 3.13Å; T2065-L2068 PolarHBondContact OG1-N 3.17Å; L2068-W2070 HydrophobicContact CD1-CB 3.74Å; L2068-W2070 HydrophobicContact CD1-CG 4.45Å; L2068-W2070 HydrophobicContact CD2-CB 4.13Å; L2068-W2070 HydrophobicContact CG-CB 3.74Å |
| 2069 | I | 90.7 | Very high | 92.8 | Very high | 14 Ų | 14 | 38.3 Ų | 38.3 | 7% | 0.072 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 106.4 | 159.8 | -59.8 | 173.6 | 0 | 0 | 0 | 106.2 | Y2108 E2111 F2118 L2121 | I2069-Y2108 HydrophobicContact CB-CD1 4.07Å; I2069-Y2108 HydrophobicContact CB-CG 4.45Å; I2069-Y2108 HydrophobicContact CG2-CD1 4.06Å; I2069-E2111 HydrophobicContact CD1-CG 3.86Å; I2069-F2118 HydrophobicContact CB-CE2 4.15Å; I2069-F2118 HydrophobicContact CB-CZ 4.17Å; I2069-F2118 HydrophobicContact CD1-CB 4.35Å; I2069-F2118 HydrophobicContact CD1-CD1 3.6Å; I2069-F2118 HydrophobicContact CD1-CD2 4.05Å; I2069-F2118 HydrophobicContact CD1-CE1 3.78Å; I2069-F2118 HydrophobicContact CD1-CE2 4.22Å; I2069-F2118 HydrophobicContact CD1-CG 3.73Å; I2069-F2118 HydrophobicContact CD1-CZ 4.08Å; I2069-F2118 HydrophobicContact CG1-CD1 4.28Å; I2069-F2118 HydrophobicContact CG1-CD2 3.82Å; I2069-F2118 HydrophobicContact CG1-CE1 4.3Å; I2069-F2118 HydrophobicContact CG1-CE2 3.86Å; I2069-F2118 HydrophobicContact CG1-CG 4.03Å; I2069-F2118 HydrophobicContact CG1-CZ 4.09Å; I2069-L2121 HydrophobicContact CD1-CD1 3.7Å; I2069-L2121 HydrophobicContact CG1-CD1 3.7Å; I2069-L2121 VanDerWaalsContact CG1-CD1 3.47Å; I2069-L2121 HydrophobicContact CG1-CD2 4.21Å |
| 2070 | W | 94 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 106.7 | -179.1 | -170.1 | -110.8 | 0 | 0 | 0 | 109.9 | L1939 L2007 T2008 L2011 L2059 N2062 S2063 L2068 C2074 R2075 L2078 H2105 | L1939-W2070 HydrophobicContact CD2-CZ2 4.41Å; L2007-W2070 HydrophobicContact CD2-CH2 3.69Å; L2007-W2070 HydrophobicContact CD2-CZ2 3.94Å; L2007-W2070 HydrophobicContact CD2-CZ3 4.46Å; L2007-W2070 WeakPolarHBondContact O-CZ3 3.41Å; T2008-W2070 HydrophobicContact CG2-CE3 4.5Å; L2011-W2070 HydrophobicContact CD1-CD2 4.08Å; L2011-W2070 HydrophobicContact CD1-CE3 4.3Å; L2011-W2070 HydrophobicContact CD1-CG 4.3Å; L2059-W2070 PolarHBondContact O-NE1 2.99Å; N2062-W2070 CarbonylContact C-O 3.33Å; N2062-W2070 VanDerWaalsContact CA-O 3.31Å; N2062-W2070 WeakPolarHBondContact CA-O 3.41Å; S2063-W2070 PolarHBondContact N-O 2.99Å; S2063-W2070 PolarHBondContact O-N 3.2Å; L2068-W2070 HydrophobicContact CD1-CB 3.74Å; L2068-W2070 HydrophobicContact CD1-CG 4.45Å; L2068-W2070 HydrophobicContact CD2-CB 4.13Å; L2068-W2070 HydrophobicContact CG-CB 3.74Å; W2070-C2074 HydrophobicContact CD2-CB 4.24Å; W2070-C2074 HydrophobicContact CE3-CB 3.64Å; W2070-C2074 HydrophobicContact CH2-CB 4.38Å; W2070-C2074 HydrophobicContact CZ3-CB 3.75Å; W2070-R2075 HydrophobicContact CH2-CG 4.25Å; W2070-R2075 HydrophobicContact CZ2-CG 3.38Å; W2070-R2075 VanDerWaalsContact CZ2-CG 3.41Å; W2070-L2078 HydrophobicContact CH2-CD2 3.82Å; W2070-L2078 HydrophobicContact CZ2-CD2 4.43Å; W2070-H2105 AromaticContact CZ3-CE1 3.67Å; W2070-H2105 AromaticContact CZ3-NE2 3.94Å |
| 2071 | D | 91.4 | Very high | 92.8 | Very high | 48 Ų | 48 | 42.3 Ų | 42.3 | 26% | 0.257 | 23% | 0.225 | S | C | . | . | trans | -127.6 | -172.9 | -178.6 | 72.5 | -1.2 | 0 | 0 | 0 | 111.9 | N2062 R2073 C2074 R2075 | N2062-D2071 VanDerWaalsContact OD1-CA 3.29Å; N2062-D2071 WeakPolarHBondContact OD1-CA 3.24Å; D2071-R2073 PolarHBondContact O-N 3.27Å; D2071-R2073 WeakPolarHBondContact OD1-CA 3.41Å; D2071-R2073 VanDerWaalsContact OD1-CB 3.29Å; D2071-R2073 WeakPolarHBondContact OD1-CB 3.26Å; D2071-R2073 PolarHBondContact OD1-N 3.15Å; D2071-C2074 PolarHBondContact O-N 3.48Å; D2071-C2074 PolarHBondContact OD1-N 3.04Å; D2071-C2074 PolarHBondContact OD1-SG 3.33Å; D2071-R2075 PolarHBondContact O-N 3.26Å; D2071-R2075 VanDerWaalsContact O-N 3.17Å; D2071-R2075 PolarHBondContact O-NE 2.88Å | ||
| 2072 | N | 91.4 | Very high | 92.8 | Very high | 94.6667 Ų | 94.6667 | 40.7 Ų | 40.7 | 51% | 0.506 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.1 | -28.7 | 176.7 | -69.9 | -28.6 | 0 | 0 | 0 | 112.4 | N2062 R2075 A2076 | N2062-N2072 PolarHBondContact ND2-ND2 3.37Å; N2062-N2072 PolarHBondContact OD1-N 3.22Å; N2062-N2072 VanDerWaalsContact OD1-N 3.15Å; N2062-N2072 PolarHBondContact OD1-OD1 3.06Å; N2062-N2072 VanDerWaalsContact OD1-OD1 3.12Å; N2072-R2075 VanDerWaalsContact OD1-CZ 3.27Å; N2072-R2075 PolarHBondContact OD1-NH1 3.21Å; N2072-R2075 PolarHBondContact OD1-NH2 3.29Å; N2072-A2076 WeakPolarHBondContact O-CB 3.4Å; N2072-A2076 PolarHBondContact O-N 3.12Å |
| 2073 | R | 92.6 | Very high | 92.8 | Very high | 150.667 Ų | 150.667 | 39.9 Ų | 39.9 | 57% | 0.569 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -73.8 | -46.7 | -179.6 | -148.8 | 147.9 | 172.8 | -170 | -0.5 | 110.4 | D2071 R2075 A2076 E2077 E2106 S2107 | D2071-R2073 PolarHBondContact O-N 3.27Å; D2071-R2073 WeakPolarHBondContact OD1-CA 3.41Å; D2071-R2073 VanDerWaalsContact OD1-CB 3.29Å; D2071-R2073 WeakPolarHBondContact OD1-CB 3.26Å; D2071-R2073 PolarHBondContact OD1-N 3.15Å; R2073-R2075 VanDerWaalsContact C-N 3.28Å; R2073-R2075 PolarHBondContact O-N 2.99Å; R2073-A2076 PolarHBondContact O-N 2.98Å; R2073-A2076 VanDerWaalsContact O-N 3.14Å; R2073-E2077 HydrophobicContact CG-CG 4.5Å; R2073-E2077 VanDerWaalsContact CG-OE1 3.25Å; R2073-E2077 WeakPolarHBondContact CG-OE1 3.27Å; R2073-E2077 IonicContact CZ-OE1 3.86Å; R2073-E2077 IonicContact NE-OE1 3.09Å; R2073-E2077 PolarHBondContact NE-OE1 3.26Å; R2073-E2077 WeakPolarHBondContact O-CG 3.37Å; R2073-E2077 PolarHBondContact O-N 3.1Å; R2073-E2106 IonicContact CZ-OE2 3.19Å; R2073-E2106 IonicContact NE-OE2 3.7Å; R2073-E2106 IonicContact NH2-OE2 3.08Å; R2073-E2106 PolarHBondContact NH2-OE2 3.44Å; R2073-S2107 WeakPolarHBondContact CB-OG 3.37Å; R2073-S2107 WeakPolarHBondContact CD-OG 3.3Å; R2073-S2107 VanDerWaalsContact CG-OG 3.24Å; R2073-S2107 WeakPolarHBondContact CG-OG 3.28Å |
| 2074 | C | 93.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -53.7 | -45.8 | 172.6 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | W2070 D2071 E2077 L2078 H2105 S2107 | W2070-C2074 HydrophobicContact CD2-CB 4.24Å; W2070-C2074 HydrophobicContact CE3-CB 3.64Å; W2070-C2074 HydrophobicContact CH2-CB 4.38Å; W2070-C2074 HydrophobicContact CZ3-CB 3.75Å; D2071-C2074 PolarHBondContact O-N 3.48Å; D2071-C2074 PolarHBondContact OD1-N 3.04Å; D2071-C2074 PolarHBondContact OD1-SG 3.33Å; C2074-E2077 PolarHBondContact O-N 2.83Å; C2074-L2078 WeakPolarHBondContact O-CB 3.41Å; C2074-L2078 PolarHBondContact O-N 3.06Å; C2074-H2105 WeakPolarHBondContact CA-ND1 3.26Å; C2074-H2105 PolarHBondContact O-CE1 3.23Å; C2074-H2105 VanDerWaalsContact O-CE1 3.27Å; C2074-H2105 PolarHBondContact O-ND1 2.99Å; C2074-S2107 VanDerWaalsContact SG-CB 3.55Å; C2074-S2107 WeakPolarHBondContact SG-CB 3.4Å |
| 2075 | R | 94.4 | Very high | 92.9 | Very high | 32.3333 Ų | 32.3333 | 41 Ų | 41 | 12% | 0.122 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.5 | -44.2 | 176.2 | -80.3 | -175.5 | -90.2 | 120.9 | 0.6 | 112.8 | L1939 L2059 T2060 N2062 W2070 D2071 N2072 R2073 L2078 E2079 | L1939-R2075 HydrophobicContact CD2-CG 4.1Å; L2059-R2075 VanDerWaalsContact O-CD 3.29Å; L2059-R2075 WeakPolarHBondContact O-CD 3.39Å; L2059-R2075 PolarHBondContact O-NE 3.17Å; T2060-R2075 PolarHBondContact O-NH1 3.16Å; T2060-R2075 PolarHBondContact O-NH2 3.15Å; N2062-R2075 PolarHBondContact OD1-NH2 3.23Å; W2070-R2075 HydrophobicContact CH2-CG 4.25Å; W2070-R2075 HydrophobicContact CZ2-CG 3.38Å; W2070-R2075 VanDerWaalsContact CZ2-CG 3.41Å; D2071-R2075 PolarHBondContact O-N 3.26Å; D2071-R2075 VanDerWaalsContact O-N 3.17Å; D2071-R2075 PolarHBondContact O-NE 2.88Å; N2072-R2075 VanDerWaalsContact OD1-CZ 3.27Å; N2072-R2075 PolarHBondContact OD1-NH1 3.21Å; N2072-R2075 PolarHBondContact OD1-NH2 3.29Å; R2073-R2075 VanDerWaalsContact C-N 3.28Å; R2073-R2075 PolarHBondContact O-N 2.99Å; R2075-L2078 PolarHBondContact O-N 3.03Å; R2075-E2079 WeakPolarHBondContact O-CB 3.34Å; R2075-E2079 VanDerWaalsContact O-CG 3.29Å; R2075-E2079 WeakPolarHBondContact O-CG 3.26Å; R2075-E2079 PolarHBondContact O-N 3.14Å |
| 2076 | A | 94.3 | Very high | 92.9 | Very high | 44.6667 Ų | 44.6667 | 39.6 Ų | 39.6 | 37% | 0.369 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.4 | -39.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N2072 R2073 E2079 T2080 | N2072-A2076 WeakPolarHBondContact O-CB 3.4Å; N2072-A2076 PolarHBondContact O-N 3.12Å; R2073-A2076 PolarHBondContact O-N 2.98Å; R2073-A2076 VanDerWaalsContact O-N 3.14Å; A2076-E2079 PolarHBondContact O-N 3.15Å; A2076-T2080 WeakPolarHBondContact O-CB 3.37Å; A2076-T2080 PolarHBondContact O-N 3.18Å; A2076-T2080 PolarHBondContact O-OG1 3.27Å |
| 2077 | E | 94.3 | Very high | 92.8 | Very high | 35.6667 Ų | 35.6667 | 42.6 Ų | 42.6 | 17% | 0.167 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.3 | -46.5 | 173.4 | -72.1 | 172.7 | -145.7 | 0 | 0 | 110.6 | R2073 C2074 T2080 L2081 F2103 H2105 E2106 S2107 | R2073-E2077 HydrophobicContact CG-CG 4.5Å; R2073-E2077 VanDerWaalsContact CG-OE1 3.25Å; R2073-E2077 WeakPolarHBondContact CG-OE1 3.27Å; R2073-E2077 IonicContact CZ-OE1 3.86Å; R2073-E2077 IonicContact NE-OE1 3.09Å; R2073-E2077 PolarHBondContact NE-OE1 3.26Å; R2073-E2077 WeakPolarHBondContact O-CG 3.37Å; R2073-E2077 PolarHBondContact O-N 3.1Å; C2074-E2077 PolarHBondContact O-N 2.83Å; E2077-T2080 WeakPolarHBondContact O-CB 3.44Å; E2077-T2080 PolarHBondContact O-N 3.05Å; E2077-L2081 PolarHBondContact O-N 2.88Å; E2077-L2081 VanDerWaalsContact O-N 3.14Å; E2077-F2103 HydrophobicContact CB-CE2 4.46Å; E2077-F2103 HydrophobicContact CB-CZ 4.46Å; E2077-H2105 VanDerWaalsContact OE2-CA 3.28Å; E2077-H2105 WeakPolarHBondContact OE2-CA 3.45Å; E2077-H2105 IonicContact OE2-ND1 3.34Å; E2077-E2106 PolarHBondContact OE2-N 3.41Å; E2077-S2107 PolarHBondContact OE1-N 2.72Å; E2077-S2107 PolarHBondContact OE1-OG 3.33Å |
| 2078 | L | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.4 | -45 | 176.1 | 176.6 | 61 | 0 | 0 | 0 | 112.6 | L1939 L2006 L2007 W2070 C2074 R2075 T2080 L2081 I2082 F2103 | L1939-L2078 HydrophobicContact CD1-CD2 4.11Å; L1939-L2078 HydrophobicContact CD1-CG 4.4Å; L2006-L2078 HydrophobicContact CB-CD1 3.92Å; L2006-L2078 HydrophobicContact CD2-CD1 3.72Å; L2006-L2078 HydrophobicContact CG-CD1 4.32Å; L2007-L2078 HydrophobicContact CD2-CD2 3.62Å; W2070-L2078 HydrophobicContact CH2-CD2 3.82Å; W2070-L2078 HydrophobicContact CZ2-CD2 4.43Å; C2074-L2078 WeakPolarHBondContact O-CB 3.41Å; C2074-L2078 PolarHBondContact O-N 3.06Å; R2075-L2078 PolarHBondContact O-N 3.03Å; L2078-T2080 VanDerWaalsContact C-N 3.26Å; L2078-T2080 PolarHBondContact O-N 3.3Å; L2078-L2081 PolarHBondContact O-N 3.15Å; L2078-I2082 HydrophobicContact CD1-CD1 3.9Å; L2078-I2082 HydrophobicContact CD1-CG1 4.02Å; L2078-I2082 HydrophobicContact CD2-CD1 4.23Å; L2078-I2082 HydrophobicContact CG-CD1 3.67Å; L2078-I2082 HydrophobicContact CG-CG1 4.24Å; L2078-I2082 WeakPolarHBondContact O-CB 3.25Å; L2078-I2082 VanDerWaalsContact O-CG1 3.29Å; L2078-I2082 WeakPolarHBondContact O-CG1 3.41Å; L2078-I2082 PolarHBondContact O-N 3.18Å; L2078-F2103 HydrophobicContact CB-CZ 4.36Å; L2078-F2103 HydrophobicContact CD1-CE1 4.41Å; L2078-F2103 HydrophobicContact CD1-CZ 4.48Å |
| 2079 | E | 94.9 | Very high | 92.7 | Very high | 83 Ų | 83 | 47.8 Ų | 47.8 | 39% | 0.388 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.4 | -39.1 | 177.2 | -78 | 177 | 169.5 | 0 | 0 | 111.4 | L1939 R2075 A2076 I2082 D2083 | L1939-E2079 HydrophobicContact CD1-CG 3.61Å; R2075-E2079 WeakPolarHBondContact O-CB 3.34Å; R2075-E2079 VanDerWaalsContact O-CG 3.29Å; R2075-E2079 WeakPolarHBondContact O-CG 3.26Å; R2075-E2079 PolarHBondContact O-N 3.14Å; A2076-E2079 PolarHBondContact O-N 3.15Å; E2079-I2082 PolarHBondContact O-N 3.08Å; E2079-D2083 WeakPolarHBondContact O-CB 3.37Å; E2079-D2083 PolarHBondContact O-N 3.31Å |
| 2080 | T | 94.7 | Very high | 92.4 | Very high | 85.6667 Ų | 85.6667 | 50 Ų | 50 | 53% | 0.526 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 175.7 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | A2076 E2077 L2078 L2084 | A2076-T2080 WeakPolarHBondContact O-CB 3.37Å; A2076-T2080 PolarHBondContact O-N 3.18Å; A2076-T2080 PolarHBondContact O-OG1 3.27Å; E2077-T2080 WeakPolarHBondContact O-CB 3.44Å; E2077-T2080 PolarHBondContact O-N 3.05Å; L2078-T2080 VanDerWaalsContact C-N 3.26Å; L2078-T2080 PolarHBondContact O-N 3.3Å; T2080-L2084 HydrophobicContact CG2-CD1 4.42Å; T2080-L2084 VanDerWaalsContact O-CG 3.29Å; T2080-L2084 WeakPolarHBondContact O-CG 3.41Å; T2080-L2084 PolarHBondContact O-N 3.14Å; T2080-L2084 VanDerWaalsContact O-N 3.08Å |
| 2081 | L | 93.6 | Very high | 92.1 | Very high | 18.6667 Ų | 18.6667 | 58.2 Ų | 58.2 | 10% | 0.098 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.4 | -47.1 | 175.6 | -175.3 | 156.9 | 0 | 0 | 0 | 111.3 | F1932 L2006 E2077 L2078 D2083 L2084 Q2085 F2103 | F1932-L2081 HydrophobicContact CD1-CD2 3.91Å; F1932-L2081 HydrophobicContact CE1-CD2 3.33Å; F1932-L2081 HydrophobicContact CZ-CD2 4.16Å; L2006-L2081 HydrophobicContact CD2-CD1 4.24Å; L2006-L2081 HydrophobicContact CD2-CD2 4.08Å; E2077-L2081 PolarHBondContact O-N 2.88Å; E2077-L2081 VanDerWaalsContact O-N 3.14Å; L2078-L2081 PolarHBondContact O-N 3.15Å; L2081-D2083 VanDerWaalsContact C-N 3.34Å; L2081-D2083 PolarHBondContact O-N 3Å; L2081-L2084 PolarHBondContact O-N 3.16Å; L2081-Q2085 HydrophobicContact CD2-CG 3.83Å; L2081-Q2085 WeakPolarHBondContact O-CG 3.4Å; L2081-Q2085 PolarHBondContact O-N 3.2Å; L2081-F2103 HydrophobicContact CB-CD2 4.38Å; L2081-F2103 HydrophobicContact CB-CE2 4.28Å; L2081-F2103 HydrophobicContact CD1-CB 3.64Å; L2081-F2103 HydrophobicContact CD1-CD1 4.27Å; L2081-F2103 HydrophobicContact CD1-CD2 3.23Å; L2081-F2103 HydrophobicContact CD1-CE2 3.87Å; L2081-F2103 HydrophobicContact CD1-CG 3.45Å; L2081-F2103 VanDerWaalsContact CD1-CG 3.42Å; L2081-F2103 HydrophobicContact CG-CD2 4.44Å |
| 2082 | I | 94.5 | Very high | 91.8 | Very high | 0.666667 Ų | 0.666667 | 59.8 Ų | 59.8 | 0% | 0.003 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.3 | -49 | 179.1 | -72.3 | 169 | 0 | 0 | 0 | 110 | F1932 L1935 Q1936 L1939 L2078 E2079 L2084 Q2085 V2086 | F1932-I2082 HydrophobicContact CB-CG2 4.48Å; F1932-I2082 HydrophobicContact CD1-CG1 4.15Å; F1932-I2082 WeakPolarHBondContact O-CG2 3.26Å; L1935-I2082 HydrophobicContact CB-CD1 3.69Å; Q1936-I2082 HydrophobicContact CB-CG2 3.68Å; Q1936-I2082 HydrophobicContact CG-CG2 3.84Å; L1939-I2082 HydrophobicContact CD1-CD1 4.09Å; L2078-I2082 HydrophobicContact CD1-CD1 3.9Å; L2078-I2082 HydrophobicContact CD1-CG1 4.02Å; L2078-I2082 HydrophobicContact CD2-CD1 4.23Å; L2078-I2082 HydrophobicContact CG-CD1 3.67Å; L2078-I2082 HydrophobicContact CG-CG1 4.24Å; L2078-I2082 WeakPolarHBondContact O-CB 3.25Å; L2078-I2082 VanDerWaalsContact O-CG1 3.29Å; L2078-I2082 WeakPolarHBondContact O-CG1 3.41Å; L2078-I2082 PolarHBondContact O-N 3.18Å; E2079-I2082 PolarHBondContact O-N 3.08Å; I2082-L2084 VanDerWaalsContact C-N 3.33Å; I2082-L2084 PolarHBondContact O-N 3.36Å; I2082-Q2085 PolarHBondContact O-N 3.14Å; I2082-V2086 HydrophobicContact CG2-CG2 4.07Å; I2082-V2086 WeakPolarHBondContact O-CB 3.37Å; I2082-V2086 VanDerWaalsContact O-CG2 3.26Å; I2082-V2086 WeakPolarHBondContact O-CG2 3.41Å; I2082-V2086 PolarHBondContact O-N 3.22Å |
| 2083 | D | 92.5 | Very high | 91.3 | Very high | 77.3333 Ų | 77.3333 | 57 Ų | 57 | 41% | 0.414 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.8 | -39.8 | -179.3 | -80.3 | -12.4 | 0 | 0 | 0 | 111.7 | Q1936 E2079 L2081 V2086 V2087 | Q1936-D2083 PolarHBondContact NE2-OD1 3.13Å; E2079-D2083 WeakPolarHBondContact O-CB 3.37Å; E2079-D2083 PolarHBondContact O-N 3.31Å; L2081-D2083 VanDerWaalsContact C-N 3.34Å; L2081-D2083 PolarHBondContact O-N 3Å; D2083-V2086 PolarHBondContact O-N 3.04Å; D2083-V2087 WeakPolarHBondContact O-CB 3.39Å; D2083-V2087 VanDerWaalsContact O-CG2 3.23Å; D2083-V2087 WeakPolarHBondContact O-CG2 3.28Å; D2083-V2087 PolarHBondContact O-N 3.31Å |
| 2084 | L | 92.9 | Very high | 90.9 | Very high | 115 Ų | 115 | 55.9 Ų | 55.9 | 60% | 0.602 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.2 | -46.3 | 173.1 | -72.7 | 172.1 | 0 | 0 | 0 | 112 | T2080 L2081 I2082 V2087 R2088 | T2080-L2084 HydrophobicContact CG2-CD1 4.42Å; T2080-L2084 VanDerWaalsContact O-CG 3.29Å; T2080-L2084 WeakPolarHBondContact O-CG 3.41Å; T2080-L2084 PolarHBondContact O-N 3.14Å; T2080-L2084 VanDerWaalsContact O-N 3.08Å; L2081-L2084 PolarHBondContact O-N 3.16Å; I2082-L2084 VanDerWaalsContact C-N 3.33Å; I2082-L2084 PolarHBondContact O-N 3.36Å; L2084-V2087 PolarHBondContact O-N 2.82Å; L2084-R2088 WeakPolarHBondContact O-CB 3.32Å; L2084-R2088 PolarHBondContact O-N 3.32Å |
| 2085 | Q | 92.3 | Very high | 90.4 | Very high | 17 Ų | 17 | 56.9 Ų | 56.9 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.2 | -39.2 | 179 | -67.2 | -52.6 | -40 | 0 | 0 | 112.4 | F1932 L2081 I2082 R2088 L2089 S2099 | F1932-Q2085 HydrophobicContact CB-CB 4.45Å; F1932-Q2085 HydrophobicContact CD1-CB 4.19Å; F1932-Q2085 HydrophobicContact CD1-CG 4.25Å; F1932-Q2085 HydrophobicContact CD2-CB 4.04Å; F1932-Q2085 HydrophobicContact CD2-CG 4.37Å; F1932-Q2085 HydrophobicContact CE1-CB 4.46Å; F1932-Q2085 HydrophobicContact CE1-CG 4.05Å; F1932-Q2085 HydrophobicContact CE2-CB 4.32Å; F1932-Q2085 HydrophobicContact CE2-CG 4.16Å; F1932-Q2085 HydrophobicContact CG-CB 3.96Å; F1932-Q2085 HydrophobicContact CG-CG 4.4Å; F1932-Q2085 HydrophobicContact CZ-CB 4.41Å; F1932-Q2085 HydrophobicContact CZ-CG 3.97Å; L2081-Q2085 HydrophobicContact CD2-CG 3.83Å; L2081-Q2085 WeakPolarHBondContact O-CG 3.4Å; L2081-Q2085 PolarHBondContact O-N 3.2Å; I2082-Q2085 PolarHBondContact O-N 3.14Å; Q2085-R2088 PolarHBondContact O-N 3.16Å; Q2085-L2089 VanDerWaalsContact O-CB 3.3Å; Q2085-L2089 WeakPolarHBondContact O-CB 3.3Å; Q2085-L2089 PolarHBondContact O-N 2.81Å; Q2085-S2099 PolarHBondContact NE2-OG 3.05Å; Q2085-S2099 VanDerWaalsContact NE2-OG 3.1Å |
| 2086 | V | 91.4 | Very high | 90 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 176.7 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | Y1897 F1932 L1933 I2082 D2083 R2088 L2089 I2090 | Y1897-V2086 HydrophobicContact CD2-CG1 3.59Å; Y1897-V2086 HydrophobicContact CE2-CG1 3.74Å; F1932-V2086 HydrophobicContact CB-CG2 4.36Å; L1933-V2086 HydrophobicContact CD2-CG1 4.06Å; L1933-V2086 HydrophobicContact CD2-CG2 3.94Å; L1933-V2086 HydrophobicContact CG-CG2 4.42Å; I2082-V2086 HydrophobicContact CG2-CG2 4.07Å; I2082-V2086 WeakPolarHBondContact O-CB 3.37Å; I2082-V2086 VanDerWaalsContact O-CG2 3.26Å; I2082-V2086 WeakPolarHBondContact O-CG2 3.41Å; I2082-V2086 PolarHBondContact O-N 3.22Å; D2083-V2086 PolarHBondContact O-N 3.04Å; V2086-R2088 VanDerWaalsContact C-N 3.34Å; V2086-R2088 PolarHBondContact O-N 3.17Å; V2086-L2089 PolarHBondContact O-N 3.34Å; V2086-I2090 VanDerWaalsContact O-CG1 3.28Å; V2086-I2090 WeakPolarHBondContact O-CG1 3.31Å; V2086-I2090 PolarHBondContact O-N 3.19Å; V2086-I2090 VanDerWaalsContact O-N 3.09Å |
| 2087 | V | 89.9 | Confident | 89.5 | Confident | 63 Ų | 63 | 56.8 Ų | 56.8 | 38% | 0.382 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 175.1 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | D2083 L2084 K2091 | D2083-V2087 WeakPolarHBondContact O-CB 3.39Å; D2083-V2087 VanDerWaalsContact O-CG2 3.23Å; D2083-V2087 WeakPolarHBondContact O-CG2 3.28Å; D2083-V2087 PolarHBondContact O-N 3.31Å; L2084-V2087 PolarHBondContact O-N 2.82Å; V2087-K2091 HydrophobicContact CG1-CD 4.05Å; V2087-K2091 WeakPolarHBondContact O-CB 3.49Å; V2087-K2091 WeakPolarHBondContact O-CG 3.39Å; V2087-K2091 PolarHBondContact O-N 3.04Å; V2087-K2091 VanDerWaalsContact O-N 3.13Å |
| 2088 | R | 89.9 | Confident | 89.1 | Confident | 99.3333 Ų | 99.3333 | 59.1 Ų | 59.1 | 38% | 0.375 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.1 | -49.5 | 175 | -178.9 | 178 | 174 | 160.9 | -3.1 | 111.4 | L2084 Q2085 V2086 I2090 K2091 T2092 N2096 | L2084-R2088 WeakPolarHBondContact O-CB 3.32Å; L2084-R2088 PolarHBondContact O-N 3.32Å; Q2085-R2088 PolarHBondContact O-N 3.16Å; V2086-R2088 VanDerWaalsContact C-N 3.34Å; V2086-R2088 PolarHBondContact O-N 3.17Å; R2088-I2090 VanDerWaalsContact C-N 3.27Å; R2088-I2090 PolarHBondContact O-N 3.2Å; R2088-K2091 PolarHBondContact O-N 3.3Å; R2088-T2092 HydrophobicContact CG-CG2 4.43Å; R2088-T2092 PolarHBondContact O-N 3.1Å; R2088-T2092 PolarHBondContact O-OG1 3.01Å; R2088-T2092 VanDerWaalsContact O-OG1 3.09Å; R2088-N2096 VanDerWaalsContact NH1-CB 3.33Å |
| 2089 | L | 89.1 | Confident | 88.7 | Confident | 21.3333 Ų | 21.3333 | 59.8 Ų | 59.8 | 11% | 0.112 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55 | -41.9 | 179.9 | -177 | 69.4 | 0 | 0 | 0 | 111.7 | Y1928 L1933 Q2085 V2086 G2093 C2095 | Y1928-L2089 WeakPolarHBondContact O-CD1 3.47Å; Y1928-L2089 WeakPolarHBondContact O-CD2 3.37Å; L1933-L2089 HydrophobicContact CD1-CD2 3.68Å; L1933-L2089 HydrophobicContact CG-CD2 4.16Å; Q2085-L2089 VanDerWaalsContact O-CB 3.3Å; Q2085-L2089 WeakPolarHBondContact O-CB 3.3Å; Q2085-L2089 PolarHBondContact O-N 2.81Å; V2086-L2089 PolarHBondContact O-N 3.34Å; L2089-G2093 WeakPolarHBondContact O-CA 3.13Å; L2089-G2093 PolarHBondContact O-N 3.32Å; L2089-C2095 HydrophobicContact CD1-CB 4.21Å |
| 2090 | I | 85 | Confident | 88.3 | Confident | 60.6667 Ų | 60.6667 | 55.9 Ų | 55.9 | 31% | 0.311 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -73.9 | -33.2 | -180 | -63.2 | -65.7 | 0 | 0 | 0 | 112.5 | R1894 Y1897 V2086 R2088 | R1894-I2090 HydrophobicContact CG-CD1 4.19Å; Y1897-I2090 HydrophobicContact CD1-CD1 3.78Å; Y1897-I2090 HydrophobicContact CD1-CG1 4Å; Y1897-I2090 HydrophobicContact CD1-CG2 4.45Å; Y1897-I2090 HydrophobicContact CD2-CD1 4.11Å; Y1897-I2090 HydrophobicContact CD2-CG1 3.78Å; Y1897-I2090 HydrophobicContact CE1-CB 4.34Å; Y1897-I2090 HydrophobicContact CE1-CD1 4.17Å; Y1897-I2090 HydrophobicContact CE1-CG1 3.94Å; Y1897-I2090 HydrophobicContact CE1-CG2 3.91Å; Y1897-I2090 HydrophobicContact CE2-CD1 4.45Å; Y1897-I2090 HydrophobicContact CE2-CG1 3.74Å; Y1897-I2090 HydrophobicContact CG-CD1 3.7Å; Y1897-I2090 HydrophobicContact CG-CG1 3.87Å; V2086-I2090 VanDerWaalsContact O-CG1 3.28Å; V2086-I2090 WeakPolarHBondContact O-CG1 3.31Å; V2086-I2090 PolarHBondContact O-N 3.19Å; V2086-I2090 VanDerWaalsContact O-N 3.09Å; R2088-I2090 VanDerWaalsContact C-N 3.27Å; R2088-I2090 PolarHBondContact O-N 3.2Å |
| 2091 | K | 86.7 | Confident | 87.8 | Confident | 171.667 Ų | 171.667 | 55.4 Ų | 55.4 | 75% | 0.746 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -79.8 | -42.2 | 180 | -74.6 | -179.7 | 178 | -179.6 | 0 | 113.4 | V2087 R2088 | V2087-K2091 HydrophobicContact CG1-CD 4.05Å; V2087-K2091 WeakPolarHBondContact O-CB 3.49Å; V2087-K2091 WeakPolarHBondContact O-CG 3.39Å; V2087-K2091 PolarHBondContact O-N 3.04Å; V2087-K2091 VanDerWaalsContact O-N 3.13Å; R2088-K2091 PolarHBondContact O-N 3.3Å |
| 2092 | T | 85.8 | Confident | 87.4 | Confident | 81.6667 Ų | 81.6667 | 58.9 Ų | 58.9 | 50% | 0.501 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -106.4 | -18.3 | -172.5 | 66.1 | 0 | 0 | 0 | 0 | 113.2 | R2088 E2094 | R2088-T2092 HydrophobicContact CG-CG2 4.43Å; R2088-T2092 PolarHBondContact O-N 3.1Å; R2088-T2092 PolarHBondContact O-OG1 3.01Å; R2088-T2092 VanDerWaalsContact O-OG1 3.09Å; T2092-E2094 PolarHBondContact O-N 3.25Å; T2092-E2094 PolarHBondContact OG1-N 3.16Å; T2092-E2094 PolarHBondContact OG1-O 3.21Å |
| 2093 | G | 80.9 | Confident | 87.1 | Confident | 35.6667 Ų | 35.6667 | 60 Ų | 60 | 37% | 0.368 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 77.4 | 6.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L2089 | L2089-G2093 WeakPolarHBondContact O-CA 3.13Å; L2089-G2093 PolarHBondContact O-N 3.32Å |
| 2094 | E | 83 | Confident | 86.8 | Confident | 127.667 Ų | 127.667 | 60.5 Ų | 60.5 | 60% | 0.597 | 33% | 0.327 | S | S | * | . | trans | -128.5 | 145.1 | -173.4 | -65.3 | 179.6 | 174.1 | 0 | 0 | 111.6 | T2092 | T2092-E2094 PolarHBondContact O-N 3.25Å; T2092-E2094 PolarHBondContact OG1-N 3.16Å; T2092-E2094 PolarHBondContact OG1-O 3.21Å | ||
| 2095 | C | 83.4 | Confident | 86.7 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 14% | 0.142 | 30% | 0.299 | C | S | . | . | trans | -110 | 137.6 | 177.1 | -168.6 | 0 | 0 | 0 | 0 | 110.3 | F1932 L2089 L2097 | F1932-C2095 WeakPolarHBondContact CD2-SG 3.12Å; F1932-C2095 WeakPolarHBondContact CE2-SG 3.41Å; L2089-C2095 HydrophobicContact CD1-CB 4.21Å; C2095-L2097 PolarHBondContact O-N 3.05Å | ||
| 2096 | N | 85.3 | Confident | 86.4 | Confident | 48.3333 Ų | 48.3333 | 61.2 Ų | 61.2 | 26% | 0.258 | 33% | 0.327 | S | S | . | . | trans | -95.5 | 91 | 175.6 | -177.1 | 13.9 | 0 | 0 | 0 | 110.9 | R2088 N2098 S2099 | R2088-N2096 VanDerWaalsContact NH1-CB 3.33Å; N2096-N2098 PolarHBondContact O-N 3.28Å; N2096-N2098 WeakPolarHBondContact OD1-CB 3.43Å; N2096-N2098 PolarHBondContact OD1-N 3.05Å; N2096-S2099 VanDerWaalsContact O-CB 3.32Å; N2096-S2099 WeakPolarHBondContact O-CB 3.39Å; N2096-S2099 PolarHBondContact O-N 3.17Å; N2096-S2099 VanDerWaalsContact O-N 3.13Å; N2096-S2099 PolarHBondContact O-OG 3.23Å | ||
| 2097 | L | 84.8 | Confident | 85.9 | Confident | 27.3333 Ų | 27.3333 | 62.8 Ų | 62.8 | 14% | 0.143 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -28 | 178.1 | -60.5 | 178.6 | 0 | 0 | 0 | 112.7 | Y1926 E1927 F1932 C2095 S2099 V2100 | Y1926-L2097 HydrophobicContact CD1-CD1 4.15Å; Y1926-L2097 HydrophobicContact CD1-CD2 4.18Å; Y1926-L2097 HydrophobicContact CE1-CD1 3.73Å; Y1926-L2097 HydrophobicContact CE1-CD2 4.03Å; Y1926-L2097 HydrophobicContact CE1-CG 4.25Å; Y1926-L2097 HydrophobicContact CE2-CD2 4.2Å; E1927-L2097 HydrophobicContact CG-CD1 4.34Å; F1932-L2097 HydrophobicContact CE2-CD2 4.29Å; C2095-L2097 PolarHBondContact O-N 3.05Å; L2097-S2099 PolarHBondContact O-N 3.05Å; L2097-V2100 WeakPolarHBondContact O-CB 3.26Å; L2097-V2100 WeakPolarHBondContact O-CG2 3.3Å; L2097-V2100 PolarHBondContact O-N 3.13Å; L2097-V2100 VanDerWaalsContact O-N 3.07Å |
| 2098 | N | 85.7 | Confident | 85.6 | Confident | 83.6667 Ų | 83.6667 | 61.3 Ų | 61.3 | 45% | 0.447 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.9 | -20.5 | 177.4 | -64.8 | -25.6 | 0 | 0 | 0 | 112.8 | G1996 N2096 V2100 L2101 S2102 | G1996-N2098 VanDerWaalsContact CA-OD1 3.28Å; G1996-N2098 WeakPolarHBondContact CA-OD1 3.29Å; N2096-N2098 PolarHBondContact O-N 3.28Å; N2096-N2098 WeakPolarHBondContact OD1-CB 3.43Å; N2096-N2098 PolarHBondContact OD1-N 3.05Å; N2098-V2100 PolarHBondContact O-N 3.17Å; N2098-L2101 HydrophobicContact CB-CD1 4.45Å; N2098-L2101 WeakPolarHBondContact O-CB 3.31Å; N2098-L2101 PolarHBondContact O-N 3.05Å; N2098-L2101 VanDerWaalsContact O-N 3.07Å; N2098-S2102 PolarHBondContact O-N 3.22Å; N2098-S2102 PolarHBondContact O-OG 2.96Å |
| 2099 | S | 85.4 | Confident | 85.3 | Confident | 14.3333 Ų | 14.3333 | 59.5 Ų | 59.5 | 10% | 0.1 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.5 | -24.3 | 173.4 | 67.7 | 0 | 0 | 0 | 0 | 112.7 | Q2085 N2096 L2097 S2102 F2103 | Q2085-S2099 PolarHBondContact NE2-OG 3.05Å; Q2085-S2099 VanDerWaalsContact NE2-OG 3.1Å; N2096-S2099 VanDerWaalsContact O-CB 3.32Å; N2096-S2099 WeakPolarHBondContact O-CB 3.39Å; N2096-S2099 PolarHBondContact O-N 3.17Å; N2096-S2099 VanDerWaalsContact O-N 3.13Å; N2096-S2099 PolarHBondContact O-OG 3.23Å; L2097-S2099 PolarHBondContact O-N 3.05Å; S2099-S2102 PolarHBondContact O-N 3.25Å; S2099-S2102 PolarHBondContact O-OG 2.97Å; S2099-F2103 WeakPolarHBondContact O-CB 3.39Å; S2099-F2103 PolarHBondContact O-N 3.07Å |
| 2100 | V | 88.2 | Confident | 85 | Confident | 0.666667 Ų | 0.666667 | 67.6 Ų | 67.6 | 0% | 0.004 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70.4 | -38.2 | 174 | -175.9 | 0 | 0 | 0 | 0 | 110.9 | F1932 P1997 A2002 R2005 L2006 L2097 N2098 S2102 F2103 | F1932-V2100 HydrophobicContact CE1-CG2 4.12Å; F1932-V2100 HydrophobicContact CE2-CG2 4.41Å; F1932-V2100 HydrophobicContact CZ-CG2 3.53Å; F1932-V2100 VanDerWaalsContact CZ-CG2 3.45Å; P1997-V2100 HydrophobicContact CG-CB 4.09Å; P1997-V2100 HydrophobicContact CG-CG1 4.39Å; A2002-V2100 HydrophobicContact CB-CG1 3.84Å; A2002-V2100 HydrophobicContact CB-CG2 4.46Å; R2005-V2100 HydrophobicContact CB-CG1 4.24Å; R2005-V2100 WeakPolarHBondContact CD-O 3.4Å; R2005-V2100 HydrophobicContact CG-CG1 4.48Å; R2005-V2100 PolarHBondContact NE-O 2.75Å; L2006-V2100 HydrophobicContact CD1-CG1 4.31Å; L2006-V2100 HydrophobicContact CD1-CG2 4.21Å; L2006-V2100 HydrophobicContact CD2-CG1 4.17Å; L2006-V2100 HydrophobicContact CD2-CG2 4.3Å; L2006-V2100 HydrophobicContact CG-CG1 3.85Å; L2006-V2100 HydrophobicContact CG-CG2 4.33Å; L2097-V2100 WeakPolarHBondContact O-CB 3.26Å; L2097-V2100 WeakPolarHBondContact O-CG2 3.3Å; L2097-V2100 PolarHBondContact O-N 3.13Å; L2097-V2100 VanDerWaalsContact O-N 3.07Å; N2098-V2100 PolarHBondContact O-N 3.17Å; V2100-S2102 VanDerWaalsContact C-N 3.26Å; V2100-S2102 PolarHBondContact O-N 3.29Å; V2100-F2103 WeakPolarHBondContact O-CB 3.5Å; V2100-F2103 PolarHBondContact O-N 3.15Å; V2100-F2103 VanDerWaalsContact O-N 3.11Å |
| 2101 | L | 84.3 | Confident | 85.1 | Confident | 75 Ų | 75 | 66.9 Ų | 66.9 | 39% | 0.393 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.3 | -35.2 | 179.4 | -59.6 | 175.4 | 0 | 0 | 0 | 111.9 | P1997 E2001 R2005 N2098 F2103 | P1997-L2101 HydrophobicContact CB-CD2 3.75Å; P1997-L2101 HydrophobicContact CB-CG 4.39Å; P1997-L2101 HydrophobicContact CG-CD2 3.88Å; P1997-L2101 HydrophobicContact CG-CG 4.1Å; E2001-L2101 WeakPolarHBondContact OE1-CD2 3.4Å; R2005-L2101 PolarHBondContact NE-O 3.05Å; R2005-L2101 VanDerWaalsContact NE-O 3.15Å; R2005-L2101 PolarHBondContact NH2-O 3.35Å; R2005-L2101 VanDerWaalsContact NH2-O 3.1Å; N2098-L2101 HydrophobicContact CB-CD1 4.45Å; N2098-L2101 WeakPolarHBondContact O-CB 3.31Å; N2098-L2101 PolarHBondContact O-N 3.05Å; N2098-L2101 VanDerWaalsContact O-N 3.07Å; L2101-F2103 VanDerWaalsContact C-N 3.34Å |
| 2102 | S | 83.3 | Confident | 85.3 | Confident | 92.6667 Ų | 92.6667 | 60 Ų | 60 | 65% | 0.648 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -6.3 | 175.8 | 57.8 | 0 | 0 | 0 | 0 | 114.2 | N2098 S2099 V2100 | N2098-S2102 PolarHBondContact O-N 3.22Å; N2098-S2102 PolarHBondContact O-OG 2.96Å; S2099-S2102 PolarHBondContact O-N 3.25Å; S2099-S2102 PolarHBondContact O-OG 2.97Å; V2100-S2102 VanDerWaalsContact C-N 3.26Å; V2100-S2102 PolarHBondContact O-N 3.29Å |
| 2103 | F | 90 | Very high | 85.4 | Confident | 23 Ų | 23 | 59.2 Ų | 59.2 | 10% | 0.101 | 33% | 0.329 | C | S | . | . | trans | -83.9 | 126.3 | -177.1 | -179.5 | -108.7 | 0 | 0 | 0 | 111.1 | R2005 L2006 E2077 L2078 L2081 S2099 V2100 L2101 H2105 | R2005-F2103 WeakPolarHBondContact CD-O 3.4Å; R2005-F2103 VanDerWaalsContact CG-O 3.26Å; R2005-F2103 WeakPolarHBondContact CG-O 3.46Å; R2005-F2103 PolarHBondContact NE-O 3.08Å; L2006-F2103 HydrophobicContact CD2-CD1 3.79Å; L2006-F2103 HydrophobicContact CD2-CE1 4.13Å; L2006-F2103 HydrophobicContact CD2-CG 4.37Å; E2077-F2103 HydrophobicContact CB-CE2 4.46Å; E2077-F2103 HydrophobicContact CB-CZ 4.46Å; L2078-F2103 HydrophobicContact CB-CZ 4.36Å; L2078-F2103 HydrophobicContact CD1-CE1 4.41Å; L2078-F2103 HydrophobicContact CD1-CZ 4.48Å; L2081-F2103 HydrophobicContact CB-CD2 4.38Å; L2081-F2103 HydrophobicContact CB-CE2 4.28Å; L2081-F2103 HydrophobicContact CD1-CB 3.64Å; L2081-F2103 HydrophobicContact CD1-CD1 4.27Å; L2081-F2103 HydrophobicContact CD1-CD2 3.23Å; L2081-F2103 HydrophobicContact CD1-CE2 3.87Å; L2081-F2103 HydrophobicContact CD1-CG 3.45Å; L2081-F2103 VanDerWaalsContact CD1-CG 3.42Å; L2081-F2103 HydrophobicContact CG-CD2 4.44Å; S2099-F2103 WeakPolarHBondContact O-CB 3.39Å; S2099-F2103 PolarHBondContact O-N 3.07Å; V2100-F2103 WeakPolarHBondContact O-CB 3.5Å; V2100-F2103 PolarHBondContact O-N 3.15Å; V2100-F2103 VanDerWaalsContact O-N 3.11Å; L2101-F2103 VanDerWaalsContact C-N 3.34Å; F2103-H2105 AromaticContact CE1-CD2 3.62Å; F2103-H2105 AromaticContact CE1-CE1 3.76Å; F2103-H2105 AromaticContact CE1-NE2 3.31Å; F2103-H2105 VanDerWaalsContact CE1-NE2 3.31Å; F2103-H2105 WeakPolarHBondContact CE1-NE2 3.33Å; F2103-H2105 AromaticContact CZ-CE1 3.72Å; F2103-H2105 AromaticContact CZ-NE2 3.77Å | ||
| 2104 | T | 86.4 | Confident | 85.9 | Confident | 89.3333 Ų | 89.3333 | 57.8 Ų | 57.8 | 55% | 0.548 | 31% | 0.313 | S | S | . | . | trans | -141 | 128.4 | 175.3 | 50.2 | 0 | 0 | 0 | 0 | 108.4 | R2005 E2106 | R2005-T2104 VanDerWaalsContact NH2-CG2 3.31Å; T2104-E2106 PolarHBondContact O-N 3.15Å | ||
| 2105 | H | 89.5 | Confident | 85.9 | Confident | 0.666667 Ų | 0.666667 | 53.3 Ų | 53.3 | 0% | 0.003 | 30% | 0.301 | C | S | . | . | trans | -67.9 | 121.7 | 177.5 | -71.9 | -94.8 | 0 | 0 | 0 | 110.6 | L2006 L2007 W2070 C2074 E2077 F2103 S2107 Y2108 A2109 | L2006-H2105 PolarHBondContact O-CE1 2.96Å; L2006-H2105 PolarHBondContact O-NE2 2.96Å; L2007-H2105 PolarHBondContact O-NE2 2.89Å; W2070-H2105 AromaticContact CZ3-CE1 3.67Å; W2070-H2105 AromaticContact CZ3-NE2 3.94Å; C2074-H2105 WeakPolarHBondContact CA-ND1 3.26Å; C2074-H2105 PolarHBondContact O-CE1 3.23Å; C2074-H2105 VanDerWaalsContact O-CE1 3.27Å; C2074-H2105 PolarHBondContact O-ND1 2.99Å; E2077-H2105 VanDerWaalsContact OE2-CA 3.28Å; E2077-H2105 WeakPolarHBondContact OE2-CA 3.45Å; E2077-H2105 IonicContact OE2-ND1 3.34Å; F2103-H2105 AromaticContact CE1-CD2 3.62Å; F2103-H2105 AromaticContact CE1-CE1 3.76Å; F2103-H2105 AromaticContact CE1-NE2 3.31Å; F2103-H2105 VanDerWaalsContact CE1-NE2 3.31Å; F2103-H2105 WeakPolarHBondContact CE1-NE2 3.33Å; F2103-H2105 AromaticContact CZ-CE1 3.72Å; F2103-H2105 AromaticContact CZ-NE2 3.77Å; H2105-S2107 PolarHBondContact O-N 3.04Å; H2105-Y2108 HydrophobicContact CB-CD1 3.88Å; H2105-Y2108 HydrophobicContact CB-CE1 3.44Å; H2105-Y2108 VanDerWaalsContact CB-CE1 3.44Å; H2105-Y2108 HydrophobicContact CB-CE2 4.18Å; H2105-Y2108 HydrophobicContact CB-CG 4.42Å; H2105-Y2108 AromaticContact CD2-CE1 3.86Å; H2105-Y2108 AromaticContact CD2-CZ 3.56Å; H2105-Y2108 PolarHBondContact CD2-OH 3.12Å; H2105-Y2108 AromaticContact CG-CE1 3.65Å; H2105-Y2108 AromaticContact CG-CZ 3.77Å; H2105-Y2108 PolarHBondContact O-N 2.91Å; H2105-A2109 WeakPolarHBondContact O-CA 3.45Å; H2105-A2109 VanDerWaalsContact O-CB 3.3Å; H2105-A2109 WeakPolarHBondContact O-CB 3.42Å; H2105-A2109 PolarHBondContact O-N 2.99Å | ||
| 2106 | E | 85.6 | Confident | 86.1 | Confident | 144.667 Ų | 144.667 | 54.9 Ų | 54.9 | 68% | 0.676 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -31.9 | 178.9 | -65.2 | -175.2 | 169.3 | 0 | 0 | 111.2 | R2073 E2077 T2104 Y2108 A2109 | R2073-E2106 IonicContact CZ-OE2 3.19Å; R2073-E2106 IonicContact NE-OE2 3.7Å; R2073-E2106 IonicContact NH2-OE2 3.08Å; R2073-E2106 PolarHBondContact NH2-OE2 3.44Å; E2077-E2106 PolarHBondContact OE2-N 3.41Å; T2104-E2106 PolarHBondContact O-N 3.15Å; E2106-Y2108 PolarHBondContact O-N 3.28Å; E2106-Y2108 VanDerWaalsContact O-N 3.12Å; E2106-A2109 PolarHBondContact O-N 3.34Å |
| 2107 | S | 82.4 | Confident | 86.4 | Confident | 37 Ų | 37 | 52.7 Ų | 52.7 | 26% | 0.259 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -27.6 | -178.9 | -63.2 | 0 | 0 | 0 | 0 | 114.1 | R2073 C2074 E2077 H2105 | R2073-S2107 WeakPolarHBondContact CB-OG 3.37Å; R2073-S2107 WeakPolarHBondContact CD-OG 3.3Å; R2073-S2107 VanDerWaalsContact CG-OG 3.24Å; R2073-S2107 WeakPolarHBondContact CG-OG 3.28Å; C2074-S2107 VanDerWaalsContact SG-CB 3.55Å; C2074-S2107 WeakPolarHBondContact SG-CB 3.4Å; E2077-S2107 PolarHBondContact OE1-N 2.72Å; E2077-S2107 PolarHBondContact OE1-OG 3.33Å; H2105-S2107 PolarHBondContact O-N 3.04Å |
| 2108 | Y | 83.7 | Confident | 86.8 | Confident | 30.6667 Ų | 30.6667 | 51.4 Ų | 51.4 | 12% | 0.12 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -138.1 | 14.3 | 177.3 | 61.1 | -103 | 0 | 0 | 0 | 114 | L2007 T2008 I2069 H2105 E2106 Q2110 E2111 F2118 | L2007-Y2108 PolarHBondContact O-OH 3.28Å; T2008-Y2108 HydrophobicContact CG2-CE1 4.21Å; I2069-Y2108 HydrophobicContact CB-CD1 4.07Å; I2069-Y2108 HydrophobicContact CB-CG 4.45Å; I2069-Y2108 HydrophobicContact CG2-CD1 4.06Å; H2105-Y2108 HydrophobicContact CB-CD1 3.88Å; H2105-Y2108 HydrophobicContact CB-CE1 3.44Å; H2105-Y2108 VanDerWaalsContact CB-CE1 3.44Å; H2105-Y2108 HydrophobicContact CB-CE2 4.18Å; H2105-Y2108 HydrophobicContact CB-CG 4.42Å; H2105-Y2108 AromaticContact CD2-CE1 3.86Å; H2105-Y2108 AromaticContact CD2-CZ 3.56Å; H2105-Y2108 PolarHBondContact CD2-OH 3.12Å; H2105-Y2108 AromaticContact CG-CE1 3.65Å; H2105-Y2108 AromaticContact CG-CZ 3.77Å; H2105-Y2108 PolarHBondContact O-N 2.91Å; E2106-Y2108 PolarHBondContact O-N 3.28Å; E2106-Y2108 VanDerWaalsContact O-N 3.12Å; Y2108-Q2110 PolarHBondContact O-N 3.05Å; Y2108-Q2110 VanDerWaalsContact O-N 3.14Å; Y2108-E2111 WeakPolarHBondContact O-CB 3.4Å; Y2108-E2111 PolarHBondContact O-N 3.11Å; Y2108-F2118 HydrophobicContact CD1-CZ 4.44Å; Y2108-F2118 AromaticContact CD2-CE1 3.84Å; Y2108-F2118 HydrophobicContact CD2-CE1 3.84Å; Y2108-F2118 HydrophobicContact CD2-CZ 4.07Å; Y2108-F2118 HydrophobicContact CE2-CE1 4.43Å; Y2108-F2118 HydrophobicContact CE2-CZ 4.39Å; Y2108-F2118 AromaticContact CG-CE1 3.95Å; Y2108-F2118 HydrophobicContact CG-CE1 4.01Å; Y2108-F2118 HydrophobicContact CG-CZ 4.16Å |
| 2109 | A | 82.9 | Confident | 87.2 | Confident | 62.3333 Ų | 62.3333 | 47.5 Ų | 47.5 | 52% | 0.515 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H2105 E2106 | H2105-A2109 WeakPolarHBondContact O-CA 3.45Å; H2105-A2109 VanDerWaalsContact O-CB 3.3Å; H2105-A2109 WeakPolarHBondContact O-CB 3.42Å; H2105-A2109 PolarHBondContact O-N 2.99Å; E2106-A2109 PolarHBondContact O-N 3.34Å |
| 2110 | Q | 82.9 | Confident | 87.6 | Confident | 192 Ų | 192 | 51.5 Ų | 51.5 | 90% | 0.897 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -0.1 | 178 | -63.1 | -178.9 | -13.6 | 0 | 0 | 113.4 | Y2108 | Y2108-Q2110 PolarHBondContact O-N 3.05Å; Y2108-Q2110 VanDerWaalsContact O-N 3.14Å |
| 2111 | E | 87.5 | Confident | 87.8 | Confident | 45 Ų | 45 | 52.1 Ų | 52.1 | 21% | 0.21 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -81.4 | 141.4 | -179.4 | -65.5 | -77.3 | 174.4 | 0 | 0 | 111.3 | I2069 Y2108 L2113 F2118 R2120 | I2069-E2111 HydrophobicContact CD1-CG 3.86Å; Y2108-E2111 WeakPolarHBondContact O-CB 3.4Å; Y2108-E2111 PolarHBondContact O-N 3.11Å; E2111-L2113 PolarHBondContact O-N 3.03Å; E2111-F2118 HydrophobicContact CB-CD1 3.81Å; E2111-F2118 HydrophobicContact CB-CE1 4.22Å; E2111-F2118 HydrophobicContact CG-CD1 4.4Å; E2111-R2120 VanDerWaalsContact CD-NE 3.29Å; E2111-R2120 IonicContact OE1-CZ 3.43Å; E2111-R2120 IonicContact OE1-NE 3.49Å; E2111-R2120 PolarHBondContact OE1-NE 2.94Å; E2111-R2120 IonicContact OE1-NH2 3.24Å; E2111-R2120 PolarHBondContact OE1-NH2 3.18Å; E2111-R2120 WeakPolarHBondContact OE2-CB 3.4Å; E2111-R2120 IonicContact OE2-CZ 3.23Å; E2111-R2120 IonicContact OE2-NE 3.67Å; E2111-R2120 PolarHBondContact OE2-NE 3.38Å; E2111-R2120 IonicContact OE2-NH2 3.07Å |
| 2112 | L | 89.4 | Confident | 88.3 | Confident | 26.3333 Ų | 26.3333 | 48.5 Ų | 48.5 | 14% | 0.138 | 26% | 0.264 | C | S | . | . | trans | -80.5 | 108.9 | 172.7 | -179 | 62.3 | 0 | 0 | 0 | 110 | I2114 V2119 F2143 N2220 S2223 | L2112-I2114 HydrophobicContact CD1-CD1 4.32Å; L2112-I2114 HydrophobicContact CD1-CG1 4.14Å; L2112-I2114 HydrophobicContact CD2-CD1 4.07Å; L2112-I2114 HydrophobicContact CG-CD1 4.12Å; L2112-I2114 HydrophobicContact CG-CG1 4.12Å; L2112-V2119 HydrophobicContact CB-CB 4.34Å; L2112-V2119 HydrophobicContact CB-CG2 4.48Å; L2112-V2119 HydrophobicContact CD2-CB 4.13Å; L2112-V2119 HydrophobicContact CD2-CG1 4.19Å; L2112-V2119 HydrophobicContact CD2-CG2 4.07Å; L2112-V2119 HydrophobicContact CG-CB 4.2Å; L2112-V2119 HydrophobicContact CG-CG2 3.94Å; L2112-V2119 WeakPolarHBondContact O-CG2 3.32Å; L2112-V2119 PolarHBondContact O-N 3.08Å; L2112-F2143 HydrophobicContact CD1-CE1 4.27Å; L2112-F2143 HydrophobicContact CD1-CE2 3.82Å; L2112-F2143 HydrophobicContact CD1-CZ 3.53Å; L2112-F2143 VanDerWaalsContact CD1-CZ 3.46Å; L2112-F2143 HydrophobicContact CD2-CE1 4.32Å; L2112-F2143 HydrophobicContact CD2-CZ 4.32Å; L2112-F2143 HydrophobicContact CG-CZ 4.47Å; L2112-N2220 HydrophobicContact CD1-CB 4.5Å; L2112-N2220 HydrophobicContact CD2-CB 4.05Å; L2112-S2223 WeakPolarHBondContact CD2-OG 3.29Å | ||
| 2113 | L | 89.7 | Confident | 88.8 | Confident | 65.6667 Ų | 65.6667 | 45.1 Ų | 45.1 | 34% | 0.344 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 114.4 | 177.2 | -175.2 | 66.8 | 0 | 0 | 0 | 109.8 | P2009 E2111 F2118 | P2009-L2113 HydrophobicContact CG-CD2 4.05Å; E2111-L2113 PolarHBondContact O-N 3.03Å; L2113-F2118 HydrophobicContact CB-CD1 4.39Å; L2113-F2118 HydrophobicContact CB-CE1 4.41Å; L2113-F2118 HydrophobicContact CD1-CD1 3.91Å; L2113-F2118 HydrophobicContact CD1-CD2 4.19Å; L2113-F2118 HydrophobicContact CD1-CE1 3.94Å; L2113-F2118 HydrophobicContact CD1-CE2 4.2Å; L2113-F2118 HydrophobicContact CD1-CG 4.05Å; L2113-F2118 HydrophobicContact CD1-CZ 4.1Å; L2113-F2118 HydrophobicContact CD2-CE1 4.39Å |
| 2114 | I | 90.8 | Very high | 88.9 | Confident | 7.33333 Ų | 7.33333 | 50.9 Ų | 50.9 | 4% | 0.038 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 124.3 | 176.7 | -60.7 | 174.9 | 0 | 0 | 0 | 107.8 | L2112 E2116 V2117 V2119 F2136 D2139 L2140 F2143 A2224 | L2112-I2114 HydrophobicContact CD1-CD1 4.32Å; L2112-I2114 HydrophobicContact CD1-CG1 4.14Å; L2112-I2114 HydrophobicContact CD2-CD1 4.07Å; L2112-I2114 HydrophobicContact CG-CD1 4.12Å; L2112-I2114 HydrophobicContact CG-CG1 4.12Å; I2114-E2116 VanDerWaalsContact C-N 3.27Å; I2114-E2116 PolarHBondContact O-N 3.04Å; I2114-V2117 PolarHBondContact N-O 3.09Å; I2114-V2117 WeakPolarHBondContact O-CA 3.24Å; I2114-V2117 WeakPolarHBondContact O-CB 3.36Å; I2114-V2117 PolarHBondContact O-N 2.93Å; I2114-V2119 HydrophobicContact CB-CG2 3.99Å; I2114-V2119 HydrophobicContact CD1-CG2 3.7Å; I2114-V2119 HydrophobicContact CG1-CG2 3.81Å; I2114-F2136 HydrophobicContact CB-CE2 4.13Å; I2114-F2136 HydrophobicContact CG2-CD2 4.47Å; I2114-F2136 HydrophobicContact CG2-CE2 4.16Å; I2114-F2136 WeakPolarHBondContact O-CD2 3.37Å; I2114-F2136 VanDerWaalsContact O-CE2 3.25Å; I2114-F2136 WeakPolarHBondContact O-CE2 3.41Å; I2114-D2139 HydrophobicContact CG2-CB 3.79Å; I2114-L2140 HydrophobicContact CB-CD2 4.48Å; I2114-L2140 HydrophobicContact CD1-CD2 3.77Å; I2114-L2140 HydrophobicContact CG2-CD2 4.13Å; I2114-L2140 HydrophobicContact CG2-CG 4.32Å; I2114-F2143 HydrophobicContact CD1-CB 3.93Å; I2114-F2143 HydrophobicContact CD1-CD1 3.33Å; I2114-F2143 HydrophobicContact CD1-CD2 3.96Å; I2114-F2143 HydrophobicContact CD1-CE1 3.75Å; I2114-F2143 HydrophobicContact CD1-CE2 4.34Å; I2114-F2143 HydrophobicContact CD1-CG 3.44Å; I2114-F2143 VanDerWaalsContact CD1-CG 3.44Å; I2114-F2143 HydrophobicContact CD1-CZ 4.25Å; I2114-F2143 HydrophobicContact CG1-CB 4.32Å; I2114-F2143 HydrophobicContact CG1-CD1 4.26Å; I2114-F2143 HydrophobicContact CG1-CD2 3.99Å; I2114-F2143 HydrophobicContact CG1-CE2 4.4Å; I2114-F2143 HydrophobicContact CG1-CG 3.91Å; I2114-F2143 HydrophobicContact CG2-CB 4.17Å; I2114-A2224 HydrophobicContact CD1-CB 4.01Å |
| 2115 | G | 83 | Confident | 89.2 | Confident | 32 Ų | 32 | 51 Ų | 51 | 33% | 0.33 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 13.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113 | V2117 D2139 | G2115-V2117 PolarHBondContact O-N 3.31Å; G2115-D2139 WeakPolarHBondContact CA-OD2 3.39Å |
| 2116 | E | 86.8 | Confident | 89.2 | Confident | 55 Ų | 55 | 52.7 Ų | 52.7 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 6.8 | -176.4 | -49.8 | -176.9 | 172.1 | 0 | 0 | 114.9 | P2009 H2010 R2013 Y2067 I2114 | P2009-E2116 HydrophobicContact CB-CB 4.34Å; P2009-E2116 HydrophobicContact CB-CG 3.92Å; H2010-E2116 IonicContact ND1-OE2 3.29Å; H2010-E2116 PolarHBondContact ND1-OE2 3.01Å; R2013-E2116 WeakPolarHBondContact CB-OE1 3.48Å; R2013-E2116 WeakPolarHBondContact CD-OE1 3.49Å; R2013-E2116 IonicContact CZ-OE1 2.68Å; R2013-E2116 IonicContact CZ-OE2 3.28Å; R2013-E2116 VanDerWaalsContact CZ-OE2 3.28Å; R2013-E2116 IonicContact NE-OE1 3.2Å; R2013-E2116 PolarHBondContact NE-OE1 3.32Å; R2013-E2116 IonicContact NE-OE2 3.43Å; R2013-E2116 PolarHBondContact NE-OE2 3.17Å; R2013-E2116 VanDerWaalsContact NE-OE2 3.16Å; R2013-E2116 IonicContact NH2-OE2 3.3Å; R2013-E2116 PolarHBondContact NH2-OE2 3.17Å; Y2067-E2116 HydrophobicContact CD1-CB 4.12Å; Y2067-E2116 WeakPolarHBondContact CD1-O 3.48Å; Y2067-E2116 HydrophobicContact CE1-CB 4.04Å; I2114-E2116 VanDerWaalsContact C-N 3.27Å; I2114-E2116 PolarHBondContact O-N 3.04Å |
| 2117 | V | 91.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 121.7 | -176.5 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | P2066 Y2067 I2114 G2115 V2119 Y2122 L2130 F2136 | P2066-V2117 HydrophobicContact CB-CG1 4.16Å; P2066-V2117 CarbonylContact O-C 3.34Å; P2066-V2117 WeakPolarHBondContact O-CA 3.35Å; Y2067-V2117 HydrophobicContact CD1-CG2 4.1Å; Y2067-V2117 HydrophobicContact CE1-CG2 3.65Å; I2114-V2117 PolarHBondContact N-O 3.09Å; I2114-V2117 WeakPolarHBondContact O-CA 3.24Å; I2114-V2117 WeakPolarHBondContact O-CB 3.36Å; I2114-V2117 PolarHBondContact O-N 2.93Å; G2115-V2117 PolarHBondContact O-N 3.31Å; V2117-V2119 PolarHBondContact O-N 3.09Å; V2117-V2119 VanDerWaalsContact O-N 3.1Å; V2117-Y2122 HydrophobicContact CG1-CD2 4.47Å; V2117-Y2122 HydrophobicContact CG1-CG 4.15Å; V2117-L2130 HydrophobicContact CG1-CD2 4.39Å; V2117-L2130 HydrophobicContact CG2-CD2 4.09Å; V2117-F2136 HydrophobicContact CB-CD2 3.92Å; V2117-F2136 HydrophobicContact CB-CE1 4.37Å; V2117-F2136 HydrophobicContact CB-CE2 3.55Å; V2117-F2136 HydrophobicContact CB-CG 4.49Å; V2117-F2136 HydrophobicContact CB-CZ 3.8Å; V2117-F2136 HydrophobicContact CG1-CE1 4.1Å; V2117-F2136 HydrophobicContact CG1-CE2 4.05Å; V2117-F2136 HydrophobicContact CG1-CZ 3.74Å; V2117-F2136 HydrophobicContact CG2-CD1 4.35Å; V2117-F2136 HydrophobicContact CG2-CD2 3.78Å; V2117-F2136 HydrophobicContact CG2-CE1 4.48Å; V2117-F2136 HydrophobicContact CG2-CE2 3.95Å; V2117-F2136 HydrophobicContact CG2-CG 4.02Å; V2117-F2136 HydrophobicContact CG2-CZ 4.3Å |
| 2118 | F | 93.3 | Very high | 89.8 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.009 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 97.9 | 169 | -66 | -76.3 | 0 | 0 | 0 | 109.2 | P2066 I2069 Y2108 E2111 L2113 R2120 L2121 Y2122 | P2066-F2118 WeakPolarHBondContact O-CD2 3.44Å; P2066-F2118 PolarHBondContact O-N 3.21Å; I2069-F2118 HydrophobicContact CB-CE2 4.15Å; I2069-F2118 HydrophobicContact CB-CZ 4.17Å; I2069-F2118 HydrophobicContact CD1-CB 4.35Å; I2069-F2118 HydrophobicContact CD1-CD1 3.6Å; I2069-F2118 HydrophobicContact CD1-CD2 4.05Å; I2069-F2118 HydrophobicContact CD1-CE1 3.78Å; I2069-F2118 HydrophobicContact CD1-CE2 4.22Å; I2069-F2118 HydrophobicContact CD1-CG 3.73Å; I2069-F2118 HydrophobicContact CD1-CZ 4.08Å; I2069-F2118 HydrophobicContact CG1-CD1 4.28Å; I2069-F2118 HydrophobicContact CG1-CD2 3.82Å; I2069-F2118 HydrophobicContact CG1-CE1 4.3Å; I2069-F2118 HydrophobicContact CG1-CE2 3.86Å; I2069-F2118 HydrophobicContact CG1-CG 4.03Å; I2069-F2118 HydrophobicContact CG1-CZ 4.09Å; Y2108-F2118 HydrophobicContact CD1-CZ 4.44Å; Y2108-F2118 AromaticContact CD2-CE1 3.84Å; Y2108-F2118 HydrophobicContact CD2-CE1 3.84Å; Y2108-F2118 HydrophobicContact CD2-CZ 4.07Å; Y2108-F2118 HydrophobicContact CE2-CE1 4.43Å; Y2108-F2118 HydrophobicContact CE2-CZ 4.39Å; Y2108-F2118 AromaticContact CG-CE1 3.95Å; Y2108-F2118 HydrophobicContact CG-CE1 4.01Å; Y2108-F2118 HydrophobicContact CG-CZ 4.16Å; E2111-F2118 HydrophobicContact CB-CD1 3.81Å; E2111-F2118 HydrophobicContact CB-CE1 4.22Å; E2111-F2118 HydrophobicContact CG-CD1 4.4Å; L2113-F2118 HydrophobicContact CB-CD1 4.39Å; L2113-F2118 HydrophobicContact CB-CE1 4.41Å; L2113-F2118 HydrophobicContact CD1-CD1 3.91Å; L2113-F2118 HydrophobicContact CD1-CD2 4.19Å; L2113-F2118 HydrophobicContact CD1-CE1 3.94Å; L2113-F2118 HydrophobicContact CD1-CE2 4.2Å; L2113-F2118 HydrophobicContact CD1-CG 4.05Å; L2113-F2118 HydrophobicContact CD1-CZ 4.1Å; L2113-F2118 HydrophobicContact CD2-CE1 4.39Å; F2118-R2120 VanDerWaalsContact C-N 3.28Å; F2118-R2120 PolarHBondContact O-N 3.09Å; F2118-L2121 HydrophobicContact CB-CB 4.29Å; F2118-L2121 HydrophobicContact CB-CD1 3.97Å; F2118-L2121 HydrophobicContact CB-CG 4.35Å; F2118-L2121 HydrophobicContact CG-CD1 4.45Å; F2118-L2121 PolarHBondContact O-N 3.09Å; F2118-Y2122 PolarHBondContact O-N 3.37Å |
| 2119 | V | 93.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -54.6 | -43 | -169.4 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | L2112 I2114 V2117 L2121 Y2122 N2123 S2223 A2227 | L2112-V2119 HydrophobicContact CB-CB 4.34Å; L2112-V2119 HydrophobicContact CB-CG2 4.48Å; L2112-V2119 HydrophobicContact CD2-CB 4.13Å; L2112-V2119 HydrophobicContact CD2-CG1 4.19Å; L2112-V2119 HydrophobicContact CD2-CG2 4.07Å; L2112-V2119 HydrophobicContact CG-CB 4.2Å; L2112-V2119 HydrophobicContact CG-CG2 3.94Å; L2112-V2119 WeakPolarHBondContact O-CG2 3.32Å; L2112-V2119 PolarHBondContact O-N 3.08Å; I2114-V2119 HydrophobicContact CB-CG2 3.99Å; I2114-V2119 HydrophobicContact CD1-CG2 3.7Å; I2114-V2119 HydrophobicContact CG1-CG2 3.81Å; V2117-V2119 PolarHBondContact O-N 3.09Å; V2117-V2119 VanDerWaalsContact O-N 3.1Å; V2119-L2121 VanDerWaalsContact C-N 3.34Å; V2119-L2121 PolarHBondContact O-N 3.07Å; V2119-Y2122 PolarHBondContact O-N 3.45Å; V2119-N2123 WeakPolarHBondContact O-CB 3.42Å; V2119-N2123 VanDerWaalsContact O-CG 3.31Å; V2119-N2123 PolarHBondContact O-N 3.01Å; V2119-S2223 WeakPolarHBondContact CG1-O 3.47Å; V2119-A2227 HydrophobicContact CG1-CB 3.92Å |
| 2120 | R | 93.8 | Very high | 90.5 | Very high | 99.6667 Ų | 99.6667 | 52.9 Ų | 52.9 | 38% | 0.376 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 178.8 | -173.1 | -171.8 | 64.6 | 86 | 2.2 | 112.4 | E2111 F2118 K2124 | E2111-R2120 VanDerWaalsContact CD-NE 3.29Å; E2111-R2120 IonicContact OE1-CZ 3.43Å; E2111-R2120 IonicContact OE1-NE 3.49Å; E2111-R2120 PolarHBondContact OE1-NE 2.94Å; E2111-R2120 IonicContact OE1-NH2 3.24Å; E2111-R2120 PolarHBondContact OE1-NH2 3.18Å; E2111-R2120 WeakPolarHBondContact OE2-CB 3.4Å; E2111-R2120 IonicContact OE2-CZ 3.23Å; E2111-R2120 IonicContact OE2-NE 3.67Å; E2111-R2120 PolarHBondContact OE2-NE 3.38Å; E2111-R2120 IonicContact OE2-NH2 3.07Å; F2118-R2120 VanDerWaalsContact C-N 3.28Å; F2118-R2120 PolarHBondContact O-N 3.09Å; R2120-K2124 WeakPolarHBondContact O-CG 3.4Å; R2120-K2124 PolarHBondContact O-N 3.18Å |
| 2121 | L | 92.5 | Very high | 90.6 | Very high | 12 Ų | 12 | 48.6 Ų | 48.6 | 6% | 0.063 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.6 | -40.8 | 178.9 | -73 | 151.4 | 0 | 0 | 0 | 111 | V2064 T2065 I2069 F2118 V2119 N2123 K2124 Q2125 | V2064-L2121 HydrophobicContact CG1-CD1 3.74Å; V2064-L2121 HydrophobicContact CG1-CD2 3.74Å; V2064-L2121 HydrophobicContact CG1-CG 4.38Å; T2065-L2121 WeakPolarHBondContact O-CD1 3.44Å; I2069-L2121 HydrophobicContact CD1-CD1 3.7Å; I2069-L2121 HydrophobicContact CG1-CD1 3.7Å; I2069-L2121 VanDerWaalsContact CG1-CD1 3.47Å; I2069-L2121 HydrophobicContact CG1-CD2 4.21Å; F2118-L2121 HydrophobicContact CB-CB 4.29Å; F2118-L2121 HydrophobicContact CB-CD1 3.97Å; F2118-L2121 HydrophobicContact CB-CG 4.35Å; F2118-L2121 HydrophobicContact CG-CD1 4.45Å; F2118-L2121 PolarHBondContact O-N 3.09Å; V2119-L2121 VanDerWaalsContact C-N 3.34Å; V2119-L2121 PolarHBondContact O-N 3.07Å; L2121-N2123 VanDerWaalsContact C-N 3.34Å; L2121-N2123 PolarHBondContact O-N 3.19Å; L2121-K2124 PolarHBondContact O-N 3.06Å; L2121-Q2125 PolarHBondContact O-N 3Å |
| 2122 | Y | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 174.4 | -173.2 | -106.8 | 0 | 0 | 0 | 112 | P2066 V2117 F2118 V2119 K2124 Q2125 P2126 L2130 F2136 A2227 N2230 V2231 | P2066-Y2122 HydrophobicContact CB-CD2 4.11Å; P2066-Y2122 HydrophobicContact CG-CD2 4.24Å; V2117-Y2122 HydrophobicContact CG1-CD2 4.47Å; V2117-Y2122 HydrophobicContact CG1-CG 4.15Å; F2118-Y2122 PolarHBondContact O-N 3.37Å; V2119-Y2122 PolarHBondContact O-N 3.45Å; Y2122-K2124 VanDerWaalsContact C-N 3.27Å; Y2122-K2124 PolarHBondContact O-N 3.25Å; Y2122-Q2125 CarbonylContact O-C 3.54Å; Y2122-Q2125 WeakPolarHBondContact O-CA 3.35Å; Y2122-Q2125 PolarHBondContact O-N 3.25Å; Y2122-P2126 WeakPolarHBondContact O-CA 3.31Å; Y2122-P2126 VanDerWaalsContact O-N 3.09Å; Y2122-P2126 PolarHBondContact OH-O 3.04Å; Y2122-L2130 HydrophobicContact CD2-CD1 4.22Å; Y2122-L2130 HydrophobicContact CD2-CD2 4Å; Y2122-L2130 HydrophobicContact CD2-CG 4.29Å; Y2122-L2130 HydrophobicContact CE2-CD1 3.67Å; Y2122-L2130 HydrophobicContact CE2-CD2 3.99Å; Y2122-L2130 HydrophobicContact CE2-CG 3.77Å; Y2122-F2136 AromaticContact CD1-CE1 3.95Å; Y2122-F2136 HydrophobicContact CD1-CE1 3.99Å; Y2122-F2136 HydrophobicContact CE1-CE1 4.16Å; Y2122-F2136 HydrophobicContact CG-CE1 4.42Å; Y2122-A2227 HydrophobicContact CD1-CB 4.13Å; Y2122-N2230 HydrophobicContact CD1-CB 4.49Å; Y2122-N2230 HydrophobicContact CE1-CB 3.81Å; Y2122-V2231 HydrophobicContact CD1-CG2 4.36Å; Y2122-V2231 HydrophobicContact CE1-CB 4.43Å; Y2122-V2231 HydrophobicContact CE1-CG2 3.38Å; Y2122-V2231 VanDerWaalsContact OH-CA 3.3Å; Y2122-V2231 WeakPolarHBondContact OH-CA 3.38Å; Y2122-V2231 WeakPolarHBondContact OH-CG2 3.4Å; Y2122-V2231 PolarHBondContact OH-N 2.85Å |
| 2123 | N | 94.6 | Very high | 90.7 | Very high | 20.6667 Ų | 20.6667 | 50.6 Ų | 50.6 | 11% | 0.111 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -31.7 | 177.5 | -71.5 | -10 | 0 | 0 | 0 | 113.2 | V2119 L2121 Q2125 S2223 E2226 A2227 N2230 | V2119-N2123 WeakPolarHBondContact O-CB 3.42Å; V2119-N2123 VanDerWaalsContact O-CG 3.31Å; V2119-N2123 PolarHBondContact O-N 3.01Å; L2121-N2123 VanDerWaalsContact C-N 3.34Å; L2121-N2123 PolarHBondContact O-N 3.19Å; N2123-Q2125 VanDerWaalsContact C-N 3.33Å; N2123-S2223 PolarHBondContact ND2-O 3.41Å; N2123-E2226 HydrophobicContact CB-CG 4.27Å; N2123-E2226 PolarHBondContact ND2-OE2 3.33Å; N2123-A2227 WeakPolarHBondContact OD1-CA 3.46Å; N2123-A2227 VanDerWaalsContact OD1-CB 3.29Å; N2123-A2227 WeakPolarHBondContact OD1-CB 3.32Å; N2123-A2227 PolarHBondContact OD1-N 3.24Å; N2123-A2227 VanDerWaalsContact OD1-N 3.11Å; N2123-N2230 PolarHBondContact OD1-ND2 3.42Å |
| 2124 | K | 92.9 | Very high | 90.9 | Very high | 145.333 Ų | 145.333 | 52.7 Ų | 52.7 | 63% | 0.632 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -74.6 | -23.3 | 172.6 | -74.2 | -178 | 177.8 | -176 | 0 | 113.3 | R2120 L2121 Y2122 | R2120-K2124 WeakPolarHBondContact O-CG 3.4Å; R2120-K2124 PolarHBondContact O-N 3.18Å; L2121-K2124 PolarHBondContact O-N 3.06Å; Y2122-K2124 VanDerWaalsContact C-N 3.27Å; Y2122-K2124 PolarHBondContact O-N 3.25Å |
| 2125 | Q | 92.2 | Very high | 90.9 | Very high | 92.6667 Ų | 92.6667 | 53 Ų | 53 | 43% | 0.433 | 28% | 0.283 | S | S | . | . | trans | -132.7 | 62.7 | -176 | -61.3 | -179.2 | -48 | 0 | 0 | 110.7 | L2121 Y2122 N2123 A2127 Y2128 | L2121-Q2125 PolarHBondContact O-N 3Å; Y2122-Q2125 CarbonylContact O-C 3.54Å; Y2122-Q2125 WeakPolarHBondContact O-CA 3.35Å; Y2122-Q2125 PolarHBondContact O-N 3.25Å; N2123-Q2125 VanDerWaalsContact C-N 3.33Å; Q2125-A2127 PolarHBondContact O-N 3.28Å; Q2125-A2127 VanDerWaalsContact O-N 3.17Å; Q2125-Y2128 WeakPolarHBondContact O-CB 3.37Å; Q2125-Y2128 PolarHBondContact O-N 2.99Å | ||
| 2126 | P | 88.9 | Confident | 91.4 | Very high | 34.6667 Ų | 34.6667 | 51.6 Ų | 51.6 | 23% | 0.225 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -18.5 | -169.1 | 30.9 | -38.6 | 0 | 0 | 0 | 113.4 | Y2122 Y2128 N2230 | Y2122-P2126 WeakPolarHBondContact O-CA 3.31Å; Y2122-P2126 VanDerWaalsContact O-N 3.09Å; Y2122-P2126 PolarHBondContact OH-O 3.04Å; P2126-Y2128 PolarHBondContact O-N 3.19Å; P2126-N2230 HydrophobicContact CB-CB 3.74Å |
| 2127 | A | 89.1 | Confident | 91.8 | Very high | 77 Ų | 77 | 49 Ų | 49 | 64% | 0.636 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -2.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q2125 T2129 | Q2125-A2127 PolarHBondContact O-N 3.28Å; Q2125-A2127 VanDerWaalsContact O-N 3.17Å; A2127-T2129 PolarHBondContact O-N 3.14Å |
| 2128 | Y | 91.5 | Very high | 91.9 | Very high | 72.6667 Ų | 72.6667 | 52.5 Ų | 52.5 | 29% | 0.285 | 27% | 0.274 | S | S | . | . | trans | -65.8 | 126.7 | 177.4 | -175.9 | -89.7 | 0 | 0 | 0 | 110.5 | T2065 P2066 Y2067 Q2125 P2126 L2130 | T2065-Y2128 HydrophobicContact CG2-CE2 4.29Å; P2066-Y2128 HydrophobicContact CB-CD1 3.95Å; P2066-Y2128 HydrophobicContact CB-CE1 4.21Å; P2066-Y2128 HydrophobicContact CB-CG 4.4Å; P2066-Y2128 HydrophobicContact CG-CD1 3.65Å; P2066-Y2128 HydrophobicContact CG-CD2 4.1Å; P2066-Y2128 HydrophobicContact CG-CE1 4.19Å; P2066-Y2128 HydrophobicContact CG-CG 3.6Å; Y2067-Y2128 AromaticContact CD2-CE1 3.71Å; Y2067-Y2128 HydrophobicContact CD2-CE1 3.71Å; Y2067-Y2128 AromaticContact CE2-CE1 3.93Å; Y2067-Y2128 HydrophobicContact CE2-CE1 3.96Å; Q2125-Y2128 WeakPolarHBondContact O-CB 3.37Å; Q2125-Y2128 PolarHBondContact O-N 2.99Å; P2126-Y2128 PolarHBondContact O-N 3.19Å; Y2128-L2130 HydrophobicContact CD1-CD2 3.97Å; Y2128-L2130 HydrophobicContact CE1-CD2 4.26Å; Y2128-L2130 PolarHBondContact O-N 2.98Å | ||
| 2129 | T | 90.7 | Very high | 91.9 | Very high | 114.333 Ų | 114.333 | 55 Ų | 55 | 70% | 0.701 | 29% | 0.287 | S | S | * | . | trans | -77 | 112.2 | -178.1 | 53.6 | 0 | 0 | 0 | 0 | 110.5 | A2127 | A2127-T2129 PolarHBondContact O-N 3.14Š| ||
| 2130 | L | 89.8 | Confident | 92 | Very high | 15.6667 Ų | 15.6667 | 55 Ų | 55 | 8% | 0.082 | 29% | 0.287 | C | S | . | . | trans | -79.4 | 142.4 | 175.7 | -62.8 | 176.8 | 0 | 0 | 0 | 110.9 | P2066 Y2067 V2117 Y2122 Y2128 P2133 F2136 V2231 | P2066-L2130 HydrophobicContact CB-CD2 4.43Å; Y2067-L2130 HydrophobicContact CD2-CD2 4.48Å; Y2067-L2130 HydrophobicContact CE1-CD2 4.39Å; Y2067-L2130 HydrophobicContact CE2-CB 4.46Å; Y2067-L2130 HydrophobicContact CE2-CD2 3.79Å; Y2067-L2130 WeakPolarHBondContact OH-CA 3.23Å; Y2067-L2130 WeakPolarHBondContact OH-CB 3.43Å; V2117-L2130 HydrophobicContact CG1-CD2 4.39Å; V2117-L2130 HydrophobicContact CG2-CD2 4.09Å; Y2122-L2130 HydrophobicContact CD2-CD1 4.22Å; Y2122-L2130 HydrophobicContact CD2-CD2 4Å; Y2122-L2130 HydrophobicContact CD2-CG 4.29Å; Y2122-L2130 HydrophobicContact CE2-CD1 3.67Å; Y2122-L2130 HydrophobicContact CE2-CD2 3.99Å; Y2122-L2130 HydrophobicContact CE2-CG 3.77Å; Y2128-L2130 HydrophobicContact CD1-CD2 3.97Å; Y2128-L2130 HydrophobicContact CE1-CD2 4.26Å; Y2128-L2130 PolarHBondContact O-N 2.98Å; L2130-P2133 HydrophobicContact CB-CB 4.23Å; L2130-P2133 HydrophobicContact CD1-CB 4.48Å; L2130-P2133 WeakPolarHBondContact O-CD 3.02Å; L2130-F2136 HydrophobicContact CD1-CB 4.42Å; L2130-F2136 HydrophobicContact CD1-CD1 3.48Å; L2130-F2136 VanDerWaalsContact CD1-CD1 3.46Å; L2130-F2136 HydrophobicContact CD1-CE1 4.08Å; L2130-F2136 HydrophobicContact CD1-CG 4.25Å; L2130-V2231 HydrophobicContact CD1-CG2 4.22Å | ||
| 2131 | D | 86.2 | Confident | 92.1 | Very high | 101.667 Ų | 101.667 | 50.3 Ų | 50.3 | 54% | 0.544 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -63.8 | -44.4 | 175.4 | -67.5 | -23 | 0 | 0 | 0 | 111.5 | H2010 R2013 Y2067 | H2010-D2131 IonicContact CE1-OD2 2.73Å; R2013-D2131 IonicContact CZ-OD2 3.54Å; R2013-D2131 IonicContact NH1-OD2 3.16Å; R2013-D2131 PolarHBondContact NH1-OD2 2.96Å; R2013-D2131 IonicContact NH2-OD2 2.73Å; R2013-D2131 PolarHBondContact NH2-OD2 3.15Å; R2013-D2131 VanDerWaalsContact NH2-OD2 3.13Å; Y2067-D2131 HydrophobicContact CE2-CB 4.37Å; Y2067-D2131 PolarHBondContact OH-N 3.07Å |
| 2132 | D | 87.9 | Confident | 92.1 | Very high | 89.6667 Ų | 89.6667 | 55.2 Ų | 55.2 | 48% | 0.48 | 29% | 0.292 | S | S | . | . | trans | -131.1 | 79.8 | 177 | -174.9 | 13 | 0 | 0 | 0 | 111.8 | K2134 G2135 F2136 | D2132-K2134 PolarHBondContact O-N 3.23Å; D2132-K2134 PolarHBondContact OD1-N 2.79Å; D2132-G2135 VanDerWaalsContact CG-N 3.35Å; D2132-G2135 PolarHBondContact O-N 2.86Å; D2132-G2135 PolarHBondContact OD1-N 3.13Å; D2132-G2135 WeakPolarHBondContact OD2-CA 3.29Å; D2132-G2135 PolarHBondContact OD2-N 3.08Å; D2132-F2136 PolarHBondContact O-N 2.91Å; D2132-F2136 VanDerWaalsContact O-N 3.16Å | ||
| 2133 | P | 91.5 | Very high | 92 | Very high | 22.6667 Ų | 22.6667 | 57.2 Ų | 57.2 | 15% | 0.147 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.3 | -20.7 | 179 | 29.4 | -35.4 | 0 | 0 | 0 | 112.6 | L2130 I2137 V2231 L2238 | L2130-P2133 HydrophobicContact CB-CB 4.23Å; L2130-P2133 HydrophobicContact CD1-CB 4.48Å; L2130-P2133 WeakPolarHBondContact O-CD 3.02Å; P2133-I2137 WeakPolarHBondContact O-CG1 3.45Å; P2133-I2137 PolarHBondContact O-N 3.42Å; P2133-V2231 HydrophobicContact CB-CG1 4.02Å; P2133-L2238 HydrophobicContact CB-CD1 3.58Å; P2133-L2238 HydrophobicContact CG-CD1 3.69Å |
| 2134 | K | 92.4 | Very high | 92 | Very high | 110 Ų | 110 | 56.2 Ų | 56.2 | 48% | 0.478 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -73.2 | -49.4 | 176.6 | -73.9 | 178.1 | -178.2 | -178.9 | 0 | 110.7 | D2132 F2136 I2137 I2138 L2238 | D2132-K2134 PolarHBondContact O-N 3.23Å; D2132-K2134 PolarHBondContact OD1-N 2.79Å; K2134-F2136 VanDerWaalsContact C-N 3.27Å; K2134-F2136 PolarHBondContact O-N 3.35Å; K2134-I2137 PolarHBondContact O-N 3.09Å; K2134-I2138 WeakPolarHBondContact O-CG1 3.41Å; K2134-I2138 PolarHBondContact O-N 3.14Å; K2134-L2238 HydrophobicContact CD-CD2 4.15Å; K2134-L2238 HydrophobicContact CG-CD1 4.45Å; K2134-L2238 HydrophobicContact CG-CD2 3.5Å; K2134-L2238 VanDerWaalsContact CG-CD2 3.5Å |
| 2135 | G | 90.8 | Very high | 91.9 | Very high | 14 Ų | 14 | 51.8 Ų | 51.8 | 14% | 0.144 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.1 | -44.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D2132 I2137 I2138 D2139 | D2132-G2135 VanDerWaalsContact CG-N 3.35Å; D2132-G2135 PolarHBondContact O-N 2.86Å; D2132-G2135 PolarHBondContact OD1-N 3.13Å; D2132-G2135 WeakPolarHBondContact OD2-CA 3.29Å; D2132-G2135 PolarHBondContact OD2-N 3.08Å; G2135-I2137 VanDerWaalsContact C-N 3.34Å; G2135-I2137 PolarHBondContact O-N 3.08Å; G2135-I2138 WeakPolarHBondContact O-CA 3.42Å; G2135-I2138 WeakPolarHBondContact O-CB 3.33Å; G2135-I2138 PolarHBondContact O-N 3.2Å; G2135-D2139 PolarHBondContact O-N 3.14Å |
| 2136 | F | 94.8 | Very high | 91.7 | Very high | 3.66667 Ų | 3.66667 | 52.1 Ų | 52.1 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.4 | -36 | 179 | -175.8 | -133.8 | 0 | 0 | 0 | 113.8 | I2114 V2117 Y2122 L2130 D2132 K2134 I2138 D2139 L2140 A2227 V2231 | I2114-F2136 HydrophobicContact CB-CE2 4.13Å; I2114-F2136 HydrophobicContact CG2-CD2 4.47Å; I2114-F2136 HydrophobicContact CG2-CE2 4.16Å; I2114-F2136 WeakPolarHBondContact O-CD2 3.37Å; I2114-F2136 VanDerWaalsContact O-CE2 3.25Å; I2114-F2136 WeakPolarHBondContact O-CE2 3.41Å; V2117-F2136 HydrophobicContact CB-CD2 3.92Å; V2117-F2136 HydrophobicContact CB-CE1 4.37Å; V2117-F2136 HydrophobicContact CB-CE2 3.55Å; V2117-F2136 HydrophobicContact CB-CG 4.49Å; V2117-F2136 HydrophobicContact CB-CZ 3.8Å; V2117-F2136 HydrophobicContact CG1-CE1 4.1Å; V2117-F2136 HydrophobicContact CG1-CE2 4.05Å; V2117-F2136 HydrophobicContact CG1-CZ 3.74Å; V2117-F2136 HydrophobicContact CG2-CD1 4.35Å; V2117-F2136 HydrophobicContact CG2-CD2 3.78Å; V2117-F2136 HydrophobicContact CG2-CE1 4.48Å; V2117-F2136 HydrophobicContact CG2-CE2 3.95Å; V2117-F2136 HydrophobicContact CG2-CG 4.02Å; V2117-F2136 HydrophobicContact CG2-CZ 4.3Å; Y2122-F2136 AromaticContact CD1-CE1 3.95Å; Y2122-F2136 HydrophobicContact CD1-CE1 3.99Å; Y2122-F2136 HydrophobicContact CE1-CE1 4.16Å; Y2122-F2136 HydrophobicContact CG-CE1 4.42Å; L2130-F2136 HydrophobicContact CD1-CB 4.42Å; L2130-F2136 HydrophobicContact CD1-CD1 3.48Å; L2130-F2136 VanDerWaalsContact CD1-CD1 3.46Å; L2130-F2136 HydrophobicContact CD1-CE1 4.08Å; L2130-F2136 HydrophobicContact CD1-CG 4.25Å; D2132-F2136 PolarHBondContact O-N 2.91Å; D2132-F2136 VanDerWaalsContact O-N 3.16Å; K2134-F2136 VanDerWaalsContact C-N 3.27Å; K2134-F2136 PolarHBondContact O-N 3.35Å; F2136-I2138 VanDerWaalsContact C-N 3.34Å; F2136-D2139 PolarHBondContact O-N 3.07Å; F2136-L2140 HydrophobicContact CD1-CD1 4.03Å; F2136-L2140 HydrophobicContact CD2-CD1 4.36Å; F2136-L2140 HydrophobicContact CD2-CG 4.16Å; F2136-L2140 HydrophobicContact CE1-CD1 3.73Å; F2136-L2140 HydrophobicContact CE1-CG 4.38Å; F2136-L2140 HydrophobicContact CE2-CD1 4.06Å; F2136-L2140 HydrophobicContact CE2-CD2 4.01Å; F2136-L2140 HydrophobicContact CE2-CG 3.8Å; F2136-L2140 HydrophobicContact CG-CD1 4.33Å; F2136-L2140 HydrophobicContact CZ-CD1 3.74Å; F2136-L2140 HydrophobicContact CZ-CD2 3.98Å; F2136-L2140 HydrophobicContact CZ-CG 3.93Å; F2136-L2140 WeakPolarHBondContact O-CB 3.31Å; F2136-L2140 VanDerWaalsContact O-CG 3.25Å; F2136-L2140 WeakPolarHBondContact O-CG 3.37Å; F2136-L2140 PolarHBondContact O-N 3.27Å; F2136-A2227 HydrophobicContact CE1-CB 4.37Å; F2136-A2227 HydrophobicContact CZ-CB 4.18Å; F2136-V2231 HydrophobicContact CD1-CG2 3.41Å; F2136-V2231 VanDerWaalsContact CD1-CG2 3.41Å; F2136-V2231 HydrophobicContact CE1-CG2 3.49Å; F2136-V2231 VanDerWaalsContact CE1-CG2 3.49Å |
| 2137 | I | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 173.3 | -69.9 | 165.2 | 0 | 0 | 0 | 111 | P2133 K2134 G2135 D2139 L2140 F2141 L2228 V2231 I2232 L2238 Q2241 | P2133-I2137 WeakPolarHBondContact O-CG1 3.45Å; P2133-I2137 PolarHBondContact O-N 3.42Å; K2134-I2137 PolarHBondContact O-N 3.09Å; G2135-I2137 VanDerWaalsContact C-N 3.34Å; G2135-I2137 PolarHBondContact O-N 3.08Å; I2137-D2139 VanDerWaalsContact C-N 3.34Å; I2137-L2140 PolarHBondContact O-N 3.03Å; I2137-F2141 HydrophobicContact CG2-CD2 3.7Å; I2137-F2141 HydrophobicContact CG2-CE2 3.56Å; I2137-F2141 VanDerWaalsContact O-CD2 3.28Å; I2137-F2141 WeakPolarHBondContact O-CD2 3.41Å; I2137-F2141 PolarHBondContact O-N 3.37Å; I2137-L2228 HydrophobicContact CB-CD1 4.47Å; I2137-L2228 HydrophobicContact CG1-CD1 4.2Å; I2137-L2228 HydrophobicContact CG2-CD1 3.9Å; I2137-V2231 HydrophobicContact CD1-CG1 3.85Å; I2137-V2231 HydrophobicContact CG1-CB 4.36Å; I2137-V2231 HydrophobicContact CG1-CG1 3.8Å; I2137-I2232 HydrophobicContact CD1-CG1 4.46Å; I2137-L2238 HydrophobicContact CD1-CB 3.71Å; I2137-L2238 HydrophobicContact CD1-CD1 4.03Å; I2137-L2238 HydrophobicContact CD1-CG 4.47Å; I2137-Q2241 HydrophobicContact CB-CB 4.43Å; I2137-Q2241 HydrophobicContact CD1-CB 4.36Å; I2137-Q2241 HydrophobicContact CD1-CG 4.41Å; I2137-Q2241 HydrophobicContact CG2-CB 3.72Å |
| 2138 | I | 93.4 | Very high | 91.2 | Very high | 74.6667 Ų | 74.6667 | 48.8 Ų | 48.8 | 38% | 0.383 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 177.9 | -63 | 167.3 | 0 | 0 | 0 | 110 | K2134 G2135 F2136 L2140 F2141 Q2142 | K2134-I2138 WeakPolarHBondContact O-CG1 3.41Å; K2134-I2138 PolarHBondContact O-N 3.14Å; G2135-I2138 WeakPolarHBondContact O-CA 3.42Å; G2135-I2138 WeakPolarHBondContact O-CB 3.33Å; G2135-I2138 PolarHBondContact O-N 3.2Å; F2136-I2138 VanDerWaalsContact C-N 3.34Å; I2138-L2140 VanDerWaalsContact C-N 3.34Å; I2138-L2140 PolarHBondContact O-N 3.05Å; I2138-F2141 PolarHBondContact O-N 3.16Å; I2138-Q2142 HydrophobicContact CG2-CG 4.49Å; I2138-Q2142 WeakPolarHBondContact O-CG 3.33Å; I2138-Q2142 PolarHBondContact O-N 3.15Å |
| 2139 | D | 93.4 | Very high | 90.7 | Very high | 53.3333 Ų | 53.3333 | 50.9 Ų | 50.9 | 29% | 0.285 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 178.5 | -64.3 | -27.1 | 0 | 0 | 0 | 111.8 | I2114 G2115 G2135 F2136 I2137 Q2142 F2143 | I2114-D2139 HydrophobicContact CG2-CB 3.79Å; G2115-D2139 WeakPolarHBondContact CA-OD2 3.39Å; G2135-D2139 PolarHBondContact O-N 3.14Å; F2136-D2139 PolarHBondContact O-N 3.07Å; I2137-D2139 VanDerWaalsContact C-N 3.34Å; D2139-Q2142 PolarHBondContact O-N 3.06Å; D2139-F2143 VanDerWaalsContact O-CB 3.28Å; D2139-F2143 WeakPolarHBondContact O-CB 3.27Å; D2139-F2143 PolarHBondContact O-N 3.09Å |
| 2140 | L | 96.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 173.5 | -76 | 167.8 | 0 | 0 | 0 | 111.7 | I2114 F2136 I2137 I2138 F2143 L2144 A2224 A2227 L2228 | I2114-L2140 HydrophobicContact CB-CD2 4.48Å; I2114-L2140 HydrophobicContact CD1-CD2 3.77Å; I2114-L2140 HydrophobicContact CG2-CD2 4.13Å; I2114-L2140 HydrophobicContact CG2-CG 4.32Å; F2136-L2140 HydrophobicContact CD1-CD1 4.03Å; F2136-L2140 HydrophobicContact CD2-CD1 4.36Å; F2136-L2140 HydrophobicContact CD2-CG 4.16Å; F2136-L2140 HydrophobicContact CE1-CD1 3.73Å; F2136-L2140 HydrophobicContact CE1-CG 4.38Å; F2136-L2140 HydrophobicContact CE2-CD1 4.06Å; F2136-L2140 HydrophobicContact CE2-CD2 4.01Å; F2136-L2140 HydrophobicContact CE2-CG 3.8Å; F2136-L2140 HydrophobicContact CG-CD1 4.33Å; F2136-L2140 HydrophobicContact CZ-CD1 3.74Å; F2136-L2140 HydrophobicContact CZ-CD2 3.98Å; F2136-L2140 HydrophobicContact CZ-CG 3.93Å; F2136-L2140 WeakPolarHBondContact O-CB 3.31Å; F2136-L2140 VanDerWaalsContact O-CG 3.25Å; F2136-L2140 WeakPolarHBondContact O-CG 3.37Å; F2136-L2140 PolarHBondContact O-N 3.27Å; I2137-L2140 PolarHBondContact O-N 3.03Å; I2138-L2140 VanDerWaalsContact C-N 3.34Å; I2138-L2140 PolarHBondContact O-N 3.05Å; L2140-F2143 PolarHBondContact O-N 3.01Å; L2140-L2144 WeakPolarHBondContact O-CB 3.26Å; L2140-L2144 WeakPolarHBondContact O-CG 3.4Å; L2140-L2144 PolarHBondContact O-N 3.36Å; L2140-A2224 HydrophobicContact CD2-CB 3.96Å; L2140-A2227 HydrophobicContact CD1-CB 4.22Å; L2140-A2227 HydrophobicContact CD2-CB 4.13Å; L2140-L2228 HydrophobicContact CD1-CB 4.11Å; L2140-L2228 HydrophobicContact CD1-CD1 4.33Å |
| 2141 | F | 95.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.009 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.5 | -39.3 | 177.3 | -80.9 | -55.8 | 0 | 0 | 0 | 113 | I2137 I2138 L2144 T2145 L2228 C2242 H2245 L2248 L2249 | I2137-F2141 HydrophobicContact CG2-CD2 3.7Å; I2137-F2141 HydrophobicContact CG2-CE2 3.56Å; I2137-F2141 VanDerWaalsContact O-CD2 3.28Å; I2137-F2141 WeakPolarHBondContact O-CD2 3.41Å; I2137-F2141 PolarHBondContact O-N 3.37Å; I2138-F2141 PolarHBondContact O-N 3.16Å; F2141-L2144 HydrophobicContact CD1-CD1 4.48Å; F2141-L2144 PolarHBondContact O-N 3.02Å; F2141-T2145 WeakPolarHBondContact O-CB 3.43Å; F2141-T2145 PolarHBondContact O-N 3.2Å; F2141-T2145 PolarHBondContact O-OG1 3.18Å; F2141-L2228 HydrophobicContact CD1-CD2 4.4Å; F2141-L2228 HydrophobicContact CE1-CD2 3.69Å; F2141-L2228 HydrophobicContact CE2-CD1 4.2Å; F2141-L2228 HydrophobicContact CE2-CD2 4.41Å; F2141-L2228 HydrophobicContact CZ-CD1 4.25Å; F2141-L2228 HydrophobicContact CZ-CD2 3.7Å; F2141-C2242 HydrophobicContact CE2-CB 4.32Å; F2141-C2242 HydrophobicContact CZ-CB 4.01Å; F2141-H2245 HydrophobicContact CD1-CB 3.75Å; F2141-H2245 AromaticContact CD1-CG 3.82Å; F2141-H2245 AromaticContact CD1-ND1 3.97Å; F2141-H2245 HydrophobicContact CD2-CB 4.36Å; F2141-H2245 AromaticContact CD2-CD2 3.72Å; F2141-H2245 AromaticContact CD2-CG 3.89Å; F2141-H2245 HydrophobicContact CE1-CB 3.5Å; F2141-H2245 VanDerWaalsContact CE1-CB 3.48Å; F2141-H2245 HydrophobicContact CE2-CB 4.15Å; F2141-H2245 AromaticContact CE2-CD2 3.92Å; F2141-H2245 HydrophobicContact CG-CB 4.18Å; F2141-H2245 AromaticContact CG-CD2 3.96Å; F2141-H2245 AromaticContact CG-CG 3.75Å; F2141-H2245 AromaticContact CG-ND1 3.82Å; F2141-H2245 HydrophobicContact CZ-CB 3.71Å; F2141-L2248 HydrophobicContact CD1-CD2 4.09Å; F2141-L2249 HydrophobicContact CE1-CD1 4.41Å; F2141-L2249 HydrophobicContact CE1-CD2 4.26Å; F2141-L2249 HydrophobicContact CE1-CG 4.27Å |
| 2142 | Q | 92 | Very high | 88.1 | Confident | 115 Ų | 115 | 48.6 Ų | 48.6 | 54% | 0.537 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 173.1 | -72.4 | -179 | 9.4 | 0 | 0 | 110.5 | I2138 D2139 L2144 T2145 N2146 | I2138-Q2142 HydrophobicContact CG2-CG 4.49Å; I2138-Q2142 WeakPolarHBondContact O-CG 3.33Å; I2138-Q2142 PolarHBondContact O-N 3.15Å; D2139-Q2142 PolarHBondContact O-N 3.06Å; Q2142-L2144 PolarHBondContact O-N 3.2Å; Q2142-T2145 PolarHBondContact O-N 2.97Å; Q2142-N2146 PolarHBondContact O-N 3.07Å; Q2142-N2146 PolarHBondContact O-OD1 3.22Å |
| 2143 | F | 94.1 | Very high | 86.6 | Confident | 41.3333 Ų | 41.3333 | 46.3 Ų | 46.3 | 18% | 0.181 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.3 | -49.7 | 176 | 180 | -96.4 | 0 | 0 | 0 | 112.2 | L2112 I2114 D2139 L2140 T2145 N2146 E2147 N2220 A2224 | L2112-F2143 HydrophobicContact CD1-CE1 4.27Å; L2112-F2143 HydrophobicContact CD1-CE2 3.82Å; L2112-F2143 HydrophobicContact CD1-CZ 3.53Å; L2112-F2143 VanDerWaalsContact CD1-CZ 3.46Å; L2112-F2143 HydrophobicContact CD2-CE1 4.32Å; L2112-F2143 HydrophobicContact CD2-CZ 4.32Å; L2112-F2143 HydrophobicContact CG-CZ 4.47Å; I2114-F2143 HydrophobicContact CD1-CB 3.93Å; I2114-F2143 HydrophobicContact CD1-CD1 3.33Å; I2114-F2143 HydrophobicContact CD1-CD2 3.96Å; I2114-F2143 HydrophobicContact CD1-CE1 3.75Å; I2114-F2143 HydrophobicContact CD1-CE2 4.34Å; I2114-F2143 HydrophobicContact CD1-CG 3.44Å; I2114-F2143 VanDerWaalsContact CD1-CG 3.44Å; I2114-F2143 HydrophobicContact CD1-CZ 4.25Å; I2114-F2143 HydrophobicContact CG1-CB 4.32Å; I2114-F2143 HydrophobicContact CG1-CD1 4.26Å; I2114-F2143 HydrophobicContact CG1-CD2 3.99Å; I2114-F2143 HydrophobicContact CG1-CE2 4.4Å; I2114-F2143 HydrophobicContact CG1-CG 3.91Å; I2114-F2143 HydrophobicContact CG2-CB 4.17Å; D2139-F2143 VanDerWaalsContact O-CB 3.28Å; D2139-F2143 WeakPolarHBondContact O-CB 3.27Å; D2139-F2143 PolarHBondContact O-N 3.09Å; L2140-F2143 PolarHBondContact O-N 3.01Å; F2143-T2145 VanDerWaalsContact C-N 3.3Å; F2143-T2145 PolarHBondContact O-N 2.87Å; F2143-N2146 PolarHBondContact O-N 3.09Å; F2143-E2147 HydrophobicContact CD1-CG 4.07Å; F2143-E2147 HydrophobicContact CD2-CG 4.3Å; F2143-E2147 HydrophobicContact CE1-CB 4.47Å; F2143-E2147 HydrophobicContact CE1-CG 3.52Å; F2143-E2147 VanDerWaalsContact CE1-CG 3.49Å; F2143-E2147 HydrophobicContact CE2-CG 3.76Å; F2143-E2147 HydrophobicContact CG-CG 4.43Å; F2143-E2147 HydrophobicContact CZ-CG 3.33Å; F2143-E2147 WeakPolarHBondContact CZ-OE1 3.29Å; F2143-E2147 WeakPolarHBondContact O-CG 3.48Å; F2143-E2147 PolarHBondContact O-N 3.09Å; F2143-N2220 HydrophobicContact CE1-CB 4.15Å; F2143-N2220 HydrophobicContact CZ-CB 3.94Å; F2143-A2224 HydrophobicContact CD1-CB 3.93Å; F2143-A2224 HydrophobicContact CE1-CB 4.1Å |
| 2144 | L | 93.8 | Very high | 84.5 | Confident | 0.333333 Ų | 0.333333 | 49.3 Ų | 49.3 | 0% | 0.002 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.7 | -38.7 | 178.2 | -73.6 | 169.9 | 0 | 0 | 0 | 112.2 | L2140 F2141 Q2142 N2146 L2148 V2221 A2224 L2225 L2228 L2248 | L2140-L2144 WeakPolarHBondContact O-CB 3.26Å; L2140-L2144 WeakPolarHBondContact O-CG 3.4Å; L2140-L2144 PolarHBondContact O-N 3.36Å; F2141-L2144 HydrophobicContact CD1-CD1 4.48Å; F2141-L2144 PolarHBondContact O-N 3.02Å; Q2142-L2144 PolarHBondContact O-N 3.2Å; L2144-N2146 VanDerWaalsContact C-N 3.34Å; L2144-L2148 VanDerWaalsContact O-CB 3.23Å; L2144-L2148 WeakPolarHBondContact O-CB 3.33Å; L2144-L2148 PolarHBondContact O-N 3.34Å; L2144-V2221 HydrophobicContact CD2-CB 4.39Å; L2144-V2221 HydrophobicContact CD2-CG1 3.88Å; L2144-V2221 HydrophobicContact CD2-CG2 4.47Å; L2144-A2224 HydrophobicContact CD2-CB 3.89Å; L2144-A2224 HydrophobicContact CG-CB 4.26Å; L2144-L2225 HydrophobicContact CD1-CD2 3.78Å; L2144-L2225 HydrophobicContact CD1-CG 4.36Å; L2144-L2225 HydrophobicContact CD2-CD2 4.23Å; L2144-L2225 HydrophobicContact CD2-CG 4.02Å; L2144-L2228 HydrophobicContact CD1-CD2 4.29Å; L2144-L2248 HydrophobicContact CB-CD2 4.02Å |
| 2145 | T | 90.8 | Very high | 82.3 | Confident | 51.6667 Ų | 51.6667 | 51.8 Ų | 51.8 | 32% | 0.317 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 177 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | F2141 Q2142 F2143 Q2149 L2248 | F2141-T2145 WeakPolarHBondContact O-CB 3.43Å; F2141-T2145 PolarHBondContact O-N 3.2Å; F2141-T2145 PolarHBondContact O-OG1 3.18Å; Q2142-T2145 PolarHBondContact O-N 2.97Å; F2143-T2145 VanDerWaalsContact C-N 3.3Å; F2143-T2145 PolarHBondContact O-N 2.87Å; T2145-Q2149 WeakPolarHBondContact O-CG 3.36Å; T2145-Q2149 PolarHBondContact O-N 3.02Å; T2145-Q2149 PolarHBondContact O-NE2 3.17Å; T2145-L2248 WeakPolarHBondContact OG1-CD2 3.48Å |
| 2146 | N | 87.3 | Confident | 79.9 | Confident | 99.3333 Ų | 99.3333 | 55.4 Ų | 55.4 | 53% | 0.531 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -70.9 | -45.5 | 178.9 | -75.3 | 50.4 | 0 | 0 | 0 | 111.9 | Q2142 F2143 L2144 L2148 Q2149 N2150 | Q2142-N2146 PolarHBondContact O-N 3.07Å; Q2142-N2146 PolarHBondContact O-OD1 3.22Å; F2143-N2146 PolarHBondContact O-N 3.09Å; L2144-N2146 VanDerWaalsContact C-N 3.34Å; N2146-L2148 VanDerWaalsContact C-N 3.34Å; N2146-L2148 PolarHBondContact O-N 3.29Å; N2146-Q2149 WeakPolarHBondContact O-CB 3.41Å; N2146-Q2149 PolarHBondContact O-N 3.06Å; N2146-N2150 PolarHBondContact O-N 3.03Å |
| 2147 | E | 85.6 | Confident | 77.4 | Confident | 29.3333 Ų | 29.3333 | 61.6 Ų | 61.6 | 14% | 0.137 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.5 | -33.9 | 179.5 | -74.2 | -65.6 | 158.4 | 0 | 0 | 112.8 | F2143 Q2149 N2150 L2151 C2217 V2221 | F2143-E2147 HydrophobicContact CD1-CG 4.07Å; F2143-E2147 HydrophobicContact CD2-CG 4.3Å; F2143-E2147 HydrophobicContact CE1-CB 4.47Å; F2143-E2147 HydrophobicContact CE1-CG 3.52Å; F2143-E2147 VanDerWaalsContact CE1-CG 3.49Å; F2143-E2147 HydrophobicContact CE2-CG 3.76Å; F2143-E2147 HydrophobicContact CG-CG 4.43Å; F2143-E2147 HydrophobicContact CZ-CG 3.33Å; F2143-E2147 WeakPolarHBondContact CZ-OE1 3.29Å; F2143-E2147 WeakPolarHBondContact O-CG 3.48Å; F2143-E2147 PolarHBondContact O-N 3.09Å; E2147-Q2149 VanDerWaalsContact C-N 3.26Å; E2147-Q2149 PolarHBondContact O-N 3.25Å; E2147-N2150 WeakPolarHBondContact O-CA 3.31Å; E2147-N2150 VanDerWaalsContact O-CB 3.31Å; E2147-N2150 WeakPolarHBondContact O-CB 3.36Å; E2147-N2150 PolarHBondContact O-N 3.4Å; E2147-N2150 PolarHBondContact OE1-ND2 3.37Å; E2147-N2150 VanDerWaalsContact OE1-ND2 3.16Å; E2147-N2150 PolarHBondContact OE2-ND2 3.15Å; E2147-L2151 PolarHBondContact O-N 3.18Å; E2147-L2151 VanDerWaalsContact O-N 3.1Å; E2147-C2217 PolarHBondContact O-SG 3.01Å; E2147-C2217 PolarHBondContact OE2-SG 3.13Å; E2147-V2221 HydrophobicContact CB-CG2 3.7Å; E2147-V2221 HydrophobicContact CG-CG2 4.39Å |
| 2148 | L | 83.8 | Confident | 74.9 | Confident | 13.3333 Ų | 13.3333 | 68.2 Ų | 68.2 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65 | -29.3 | 176.7 | -170.7 | 66.5 | 0 | 0 | 0 | 112.3 | L2144 N2146 N2150 L2151 N2152 L2248 S2251 I2252 L2255 | L2144-L2148 VanDerWaalsContact O-CB 3.23Å; L2144-L2148 WeakPolarHBondContact O-CB 3.33Å; L2144-L2148 PolarHBondContact O-N 3.34Å; N2146-L2148 VanDerWaalsContact C-N 3.34Å; N2146-L2148 PolarHBondContact O-N 3.29Å; L2148-N2150 VanDerWaalsContact C-N 3.28Å; L2148-N2150 PolarHBondContact O-N 3.18Å; L2148-L2151 HydrophobicContact CD1-CD1 4.41Å; L2148-L2151 PolarHBondContact O-N 3.24Å; L2148-N2152 WeakPolarHBondContact O-CB 3.37Å; L2148-N2152 PolarHBondContact O-N 3.28Å; L2148-N2152 VanDerWaalsContact O-N 3.09Å; L2148-N2152 PolarHBondContact O-ND2 3.21Å; L2148-N2152 VanDerWaalsContact O-ND2 3.13Å; L2148-L2248 HydrophobicContact CB-CD1 4.44Å; L2148-L2248 HydrophobicContact CD2-CD1 3.48Å; L2148-L2248 VanDerWaalsContact CD2-CD1 3.48Å; L2148-S2251 VanDerWaalsContact CD2-OG 3.3Å; L2148-S2251 WeakPolarHBondContact CD2-OG 3.31Å; L2148-I2252 HydrophobicContact CD1-CG1 4.2Å; L2148-I2252 HydrophobicContact CD2-CG1 4.31Å; L2148-L2255 HydrophobicContact CD1-CD1 3.95Å |
| 2149 | Q | 79.4 | Confident | 72.4 | Confident | 117.667 Ų | 117.667 | 69.1 Ų | 69.1 | 55% | 0.55 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.2 | -34.1 | 172.1 | -66.2 | 173.4 | 24.9 | 0 | 0 | 111.3 | T2145 N2146 E2147 S2153 | T2145-Q2149 WeakPolarHBondContact O-CG 3.36Å; T2145-Q2149 PolarHBondContact O-N 3.02Å; T2145-Q2149 PolarHBondContact O-NE2 3.17Å; N2146-Q2149 WeakPolarHBondContact O-CB 3.41Å; N2146-Q2149 PolarHBondContact O-N 3.06Å; E2147-Q2149 VanDerWaalsContact C-N 3.26Å; E2147-Q2149 PolarHBondContact O-N 3.25Å; Q2149-S2153 WeakPolarHBondContact O-CB 3.41Å; Q2149-S2153 PolarHBondContact O-N 2.99Å; Q2149-S2153 VanDerWaalsContact O-N 3.13Å; Q2149-S2153 PolarHBondContact O-OG 3.34Å |
| 2150 | N | 74.6 | Confident | 69.7 | Low | 90 Ų | 90 | 71.3 Ų | 71.3 | 48% | 0.481 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.8 | -44.1 | 176.4 | -61.4 | -27.8 | 0 | 0 | 0 | 111.2 | N2146 E2147 L2148 N2152 S2153 | N2146-N2150 PolarHBondContact O-N 3.03Å; E2147-N2150 WeakPolarHBondContact O-CA 3.31Å; E2147-N2150 VanDerWaalsContact O-CB 3.31Å; E2147-N2150 WeakPolarHBondContact O-CB 3.36Å; E2147-N2150 PolarHBondContact O-N 3.4Å; E2147-N2150 PolarHBondContact OE1-ND2 3.37Å; E2147-N2150 VanDerWaalsContact OE1-ND2 3.16Å; E2147-N2150 PolarHBondContact OE2-ND2 3.15Å; L2148-N2150 VanDerWaalsContact C-N 3.28Å; L2148-N2150 PolarHBondContact O-N 3.18Å; N2150-N2152 PolarHBondContact O-N 2.95Å; N2150-S2153 WeakPolarHBondContact O-CB 3.33Å; N2150-S2153 PolarHBondContact O-N 3.12Å |
| 2151 | L | 73 | Confident | 67 | Low | 13 Ų | 13 | 77.2 Ų | 77.2 | 7% | 0.068 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 175.9 | -66.3 | 176.3 | 0 | 0 | 0 | 112.6 | E2147 L2148 S2153 E2154 T2214 C2217 V2218 V2221 L2255 | E2147-L2151 PolarHBondContact O-N 3.18Å; E2147-L2151 VanDerWaalsContact O-N 3.1Å; L2148-L2151 HydrophobicContact CD1-CD1 4.41Å; L2148-L2151 PolarHBondContact O-N 3.24Å; L2151-S2153 VanDerWaalsContact C-N 3.29Å; L2151-S2153 PolarHBondContact O-N 3.19Å; L2151-E2154 PolarHBondContact O-N 3.06Å; L2151-T2214 HydrophobicContact CD2-CG2 4.1Å; L2151-C2217 HydrophobicContact CD2-CB 3.8Å; L2151-C2217 VanDerWaalsContact CD2-SG 3.53Å; L2151-C2217 HydrophobicContact CG-CB 4.4Å; L2151-C2217 VanDerWaalsContact CG-SG 3.53Å; L2151-C2217 WeakPolarHBondContact CG-SG 3.35Å; L2151-V2218 HydrophobicContact CD2-CG2 3.87Å; L2151-V2221 HydrophobicContact CD1-CG2 4.23Å; L2151-L2255 HydrophobicContact CD1-CD1 4.11Å |
| 2152 | N | 65.1 | Low | 64.3 | Low | 79.3333 Ų | 79.3333 | 84.9 Ų | 84.9 | 42% | 0.424 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -71.1 | -21.7 | 179.5 | -76.6 | -37.9 | 0 | 0 | 0 | 113.3 | L2148 N2150 E2154 K2155 | L2148-N2152 WeakPolarHBondContact O-CB 3.37Å; L2148-N2152 PolarHBondContact O-N 3.28Å; L2148-N2152 VanDerWaalsContact O-N 3.09Å; L2148-N2152 PolarHBondContact O-ND2 3.21Å; L2148-N2152 VanDerWaalsContact O-ND2 3.13Å; N2150-N2152 PolarHBondContact O-N 2.95Å; N2152-E2154 PolarHBondContact O-N 3.31Å; N2152-K2155 WeakPolarHBondContact O-CB 3.26Å; N2152-K2155 PolarHBondContact O-N 3.08Å; N2152-K2155 VanDerWaalsContact O-N 3.09Å |
| 2153 | S | 55.8 | Low | 61.7 | Low | 40.6667 Ų | 40.6667 | 85.4 Ų | 85.4 | 28% | 0.284 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.4 | -16.8 | 179.9 | -66.2 | 0 | 0 | 0 | 0 | 112.9 | Q2149 N2150 L2151 K2155 V2156 Y2157 | Q2149-S2153 WeakPolarHBondContact O-CB 3.41Å; Q2149-S2153 PolarHBondContact O-N 2.99Å; Q2149-S2153 VanDerWaalsContact O-N 3.13Å; Q2149-S2153 PolarHBondContact O-OG 3.34Å; N2150-S2153 WeakPolarHBondContact O-CB 3.33Å; N2150-S2153 PolarHBondContact O-N 3.12Å; L2151-S2153 VanDerWaalsContact C-N 3.29Å; L2151-S2153 PolarHBondContact O-N 3.19Å; S2153-K2155 VanDerWaalsContact C-N 3.28Å; S2153-K2155 PolarHBondContact O-N 3.42Å; S2153-V2156 CarbonylContact O-C 3.59Å; S2153-V2156 WeakPolarHBondContact O-CA 3.47Å; S2153-V2156 WeakPolarHBondContact O-CB 3.4Å; S2153-V2156 PolarHBondContact O-N 3.12Å; S2153-Y2157 WeakPolarHBondContact O-CD2 3.29Å; S2153-Y2157 VanDerWaalsContact O-CE2 3.29Å; S2153-Y2157 WeakPolarHBondContact O-CE2 3.33Å; S2153-Y2157 PolarHBondContact O-N 3.26Å |
| 2154 | E | 47.9 | Very low | 59 | Low | 87.6667 Ų | 87.6667 | 86.6 Ų | 86.6 | 41% | 0.41 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -54.3 | -34.2 | 168.8 | -108.5 | -177.7 | -173.8 | 0 | 0 | 112.2 | L2151 N2152 V2156 Y2157 D2158 T2214 | L2151-E2154 PolarHBondContact O-N 3.06Å; N2152-E2154 PolarHBondContact O-N 3.31Å; E2154-V2156 VanDerWaalsContact C-N 3.33Å; E2154-V2156 PolarHBondContact O-N 3.17Å; E2154-V2156 VanDerWaalsContact O-N 3.14Å; E2154-Y2157 PolarHBondContact O-N 3.15Å; E2154-Y2157 VanDerWaalsContact O-N 3.09Å; E2154-D2158 PolarHBondContact O-N 2.9Å; E2154-T2214 PolarHBondContact OE1-OG1 3.19Å |
| 2155 | K | 46.4 | Very low | 56.3 | Low | 162.333 Ų | 162.333 | 94 Ų | 94 | 71% | 0.706 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -68.7 | -18.6 | 175.5 | -69.6 | -174.6 | 179.2 | 174.2 | 0 | 113.8 | N2152 S2153 T2159 | N2152-K2155 WeakPolarHBondContact O-CB 3.26Å; N2152-K2155 PolarHBondContact O-N 3.08Å; N2152-K2155 VanDerWaalsContact O-N 3.09Å; S2153-K2155 VanDerWaalsContact C-N 3.28Å; S2153-K2155 PolarHBondContact O-N 3.42Å; K2155-T2159 PolarHBondContact O-OG1 3.01Å |
| 2156 | V | 40.6 | Very low | 54 | Low | 88.3333 Ų | 88.3333 | 95.2 Ų | 95.2 | 54% | 0.535 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -91.5 | -31.7 | 178.3 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | S2153 E2154 D2158 T2159 N2160 | S2153-V2156 CarbonylContact O-C 3.59Å; S2153-V2156 WeakPolarHBondContact O-CA 3.47Å; S2153-V2156 WeakPolarHBondContact O-CB 3.4Å; S2153-V2156 PolarHBondContact O-N 3.12Å; E2154-V2156 VanDerWaalsContact C-N 3.33Å; E2154-V2156 PolarHBondContact O-N 3.17Å; E2154-V2156 VanDerWaalsContact O-N 3.14Å; V2156-D2158 VanDerWaalsContact C-N 3.29Å; V2156-D2158 PolarHBondContact O-N 3.2Å; V2156-T2159 PolarHBondContact O-N 3.24Å; V2156-N2160 PolarHBondContact O-N 3.08Å; V2156-N2160 VanDerWaalsContact O-N 3.15Å |
| 2157 | Y | 42 | Very low | 51.8 | Low | 133.667 Ų | 133.667 | 96.2 Ų | 96.2 | 52% | 0.524 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.7 | -32.4 | -178.3 | -72.8 | -69.9 | 0 | 0 | 0 | 113.4 | S2153 E2154 T2159 N2160 H2161 S2164 T2166 | S2153-Y2157 WeakPolarHBondContact O-CD2 3.29Å; S2153-Y2157 VanDerWaalsContact O-CE2 3.29Å; S2153-Y2157 WeakPolarHBondContact O-CE2 3.33Å; S2153-Y2157 PolarHBondContact O-N 3.26Å; E2154-Y2157 PolarHBondContact O-N 3.15Å; E2154-Y2157 VanDerWaalsContact O-N 3.09Å; Y2157-T2159 VanDerWaalsContact C-N 3.28Å; Y2157-T2159 PolarHBondContact O-N 3.17Å; Y2157-N2160 PolarHBondContact O-N 3.46Å; Y2157-H2161 WeakPolarHBondContact O-CB 3.44Å; Y2157-H2161 PolarHBondContact O-N 3.14Å; Y2157-S2164 WeakPolarHBondContact CE1-O 3.46Å; Y2157-S2164 PolarHBondContact OH-O 3.06Å; Y2157-S2164 VanDerWaalsContact OH-O 3.11Å; Y2157-T2166 WeakPolarHBondContact OH-CG2 3.24Å; Y2157-T2166 PolarHBondContact OH-N 2.81Å |
| 2158 | D | 42.2 | Very low | 49.5 | Very low | 139.333 Ų | 139.333 | 103.3 Ų | 103.3 | 75% | 0.745 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.8 | -23 | 175.7 | -88.3 | -16.6 | 0 | 0 | 0 | 113.5 | E2154 V2156 | E2154-D2158 PolarHBondContact O-N 2.9Å; V2156-D2158 VanDerWaalsContact C-N 3.29Å; V2156-D2158 PolarHBondContact O-N 3.2Å |
| 2159 | T | 40.8 | Very low | 47.6 | Very low | 92.6667 Ų | 92.6667 | 105.7 Ų | 105.7 | 57% | 0.569 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -90.5 | -33 | -174.5 | -41.9 | 0 | 0 | 0 | 0 | 112.9 | K2155 V2156 Y2157 Q2162 | K2155-T2159 PolarHBondContact O-OG1 3.01Å; V2156-T2159 PolarHBondContact O-N 3.24Å; Y2157-T2159 VanDerWaalsContact C-N 3.28Å; Y2157-T2159 PolarHBondContact O-N 3.17Å; T2159-Q2162 PolarHBondContact O-N 3.13Å |
| 2160 | N | 37.2 | Very low | 45.9 | Very low | 100.667 Ų | 100.667 | 104.1 Ų | 104.1 | 54% | 0.538 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -102.7 | 2.3 | -178.3 | -77.7 | -30.6 | 0 | 0 | 0 | 113.5 | V2156 Y2157 Q2162 L2163 S2164 | V2156-N2160 PolarHBondContact O-N 3.08Å; V2156-N2160 VanDerWaalsContact O-N 3.15Å; Y2157-N2160 PolarHBondContact O-N 3.46Å; N2160-Q2162 PolarHBondContact O-N 2.91Å; N2160-L2163 PolarHBondContact O-N 3.05Å; N2160-S2164 WeakPolarHBondContact O-CB 3.32Å; N2160-S2164 PolarHBondContact O-N 3.17Å; N2160-S2164 PolarHBondContact O-OG 2.96Å |
| 2161 | H | 38.6 | Very low | 44.5 | Very low | 123.667 Ų | 123.667 | 103.4 Ų | 103.4 | 57% | 0.573 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.2 | 1.6 | 169.5 | -118.4 | -71.2 | 0 | 0 | 0 | 112.4 | Y2157 L2163 S2164 R2165 | Y2157-H2161 WeakPolarHBondContact O-CB 3.44Å; Y2157-H2161 PolarHBondContact O-N 3.14Å; H2161-L2163 VanDerWaalsContact C-N 3.27Å; H2161-L2163 PolarHBondContact O-N 3.38Å; H2161-S2164 PolarHBondContact O-N 2.74Å; H2161-R2165 WeakPolarHBondContact O-CB 3.2Å; H2161-R2165 WeakPolarHBondContact O-CG 3.37Å; H2161-R2165 PolarHBondContact O-N 3.37Å |
| 2162 | Q | 39.7 | Very low | 43.1 | Very low | 163 Ų | 163 | 108.2 Ų | 108.2 | 76% | 0.762 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -47.2 | 0.9 | 170.3 | -63.8 | -172.4 | 4.8 | 0 | 0 | 113.3 | T2159 N2160 | T2159-Q2162 PolarHBondContact O-N 3.13Å; N2160-Q2162 PolarHBondContact O-N 2.91Å |
| 2163 | L | 36.6 | Very low | 42 | Very low | 126.333 Ų | 126.333 | 108.4 Ų | 108.4 | 66% | 0.661 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -117.4 | -13.1 | 162.6 | -79.8 | 156.9 | 0 | 0 | 0 | 112.7 | N2160 H2161 T2166 | N2160-L2163 PolarHBondContact O-N 3.05Å; H2161-L2163 VanDerWaalsContact C-N 3.27Å; H2161-L2163 PolarHBondContact O-N 3.38Å; L2163-T2166 PolarHBondContact O-OG1 3.46Å; L2163-T2166 VanDerWaalsContact O-OG1 3.12Å |
| 2164 | S | 38 | Very low | 41.6 | Very low | 66.3333 Ų | 66.3333 | 112.4 Ų | 112.4 | 46% | 0.464 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.6 | -1.3 | 174.3 | -51.9 | 0 | 0 | 0 | 0 | 114.5 | Y2157 N2160 H2161 T2166 N2167 R2168 | Y2157-S2164 WeakPolarHBondContact CE1-O 3.46Å; Y2157-S2164 PolarHBondContact OH-O 3.06Å; Y2157-S2164 VanDerWaalsContact OH-O 3.11Å; N2160-S2164 WeakPolarHBondContact O-CB 3.32Å; N2160-S2164 PolarHBondContact O-N 3.17Å; N2160-S2164 PolarHBondContact O-OG 2.96Å; H2161-S2164 PolarHBondContact O-N 2.74Å; S2164-T2166 VanDerWaalsContact C-N 3.27Å; S2164-T2166 PolarHBondContact O-N 3.32Å; S2164-N2167 PolarHBondContact O-N 2.87Å; S2164-R2168 WeakPolarHBondContact O-CB 3.39Å; S2164-R2168 PolarHBondContact O-N 2.99Å |
| 2165 | R | 36.1 | Very low | 41.5 | Very low | 156.667 Ų | 156.667 | 114.9 Ų | 114.9 | 59% | 0.591 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -58.2 | -22.8 | 167.8 | -83.8 | -178.4 | 174.1 | 176 | -1.5 | 111.4 | H2161 V2169 | H2161-R2165 WeakPolarHBondContact O-CB 3.2Å; H2161-R2165 WeakPolarHBondContact O-CG 3.37Å; H2161-R2165 PolarHBondContact O-N 3.37Å; R2165-V2169 VanDerWaalsContact O-CG2 3.29Å; R2165-V2169 WeakPolarHBondContact O-CG2 3.32Å |
| 2166 | T | 42.2 | Very low | 41.5 | Very low | 75.3333 Ų | 75.3333 | 111.3 Ų | 111.3 | 46% | 0.462 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.9 | -23.9 | -178.1 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | Y2157 L2163 S2164 R2168 V2169 D2170 | Y2157-T2166 WeakPolarHBondContact OH-CG2 3.24Å; Y2157-T2166 PolarHBondContact OH-N 2.81Å; L2163-T2166 PolarHBondContact O-OG1 3.46Å; L2163-T2166 VanDerWaalsContact O-OG1 3.12Å; S2164-T2166 VanDerWaalsContact C-N 3.27Å; S2164-T2166 PolarHBondContact O-N 3.32Å; T2166-R2168 PolarHBondContact O-N 2.97Å; T2166-V2169 PolarHBondContact O-N 2.97Å; T2166-V2169 VanDerWaalsContact OG1-CG2 3.31Å; T2166-V2169 WeakPolarHBondContact OG1-CG2 3.38Å; T2166-V2169 PolarHBondContact OG1-N 3.45Å; T2166-D2170 PolarHBondContact O-N 3.37Å |
| 2167 | N | 43 | Very low | 41.9 | Very low | 121.333 Ų | 121.333 | 111.1 Ų | 111.1 | 65% | 0.649 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -76.2 | -27.7 | -178.5 | -78 | -18.4 | 0 | 0 | 0 | 114.5 | S2164 S2171 | S2164-N2167 PolarHBondContact O-N 2.87Å; N2167-S2171 VanDerWaalsContact O-CB 3.31Å; N2167-S2171 WeakPolarHBondContact O-CB 3.33Å; N2167-S2171 PolarHBondContact O-N 3.08Å; N2167-S2171 VanDerWaalsContact O-N 3.15Å; N2167-S2171 PolarHBondContact O-OG 3.06Å |
| 2168 | R | 36.8 | Very low | 42.2 | Very low | 177.667 Ų | 177.667 | 109.3 Ų | 109.3 | 67% | 0.67 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -78.9 | -43 | -178 | -134.9 | 179.5 | -171.8 | 169.1 | 2.7 | 112.4 | S2164 T2166 D2170 S2171 E2172 | S2164-R2168 WeakPolarHBondContact O-CB 3.39Å; S2164-R2168 PolarHBondContact O-N 2.99Å; T2166-R2168 PolarHBondContact O-N 2.97Å; R2168-D2170 VanDerWaalsContact C-N 3.32Å; R2168-D2170 PolarHBondContact O-N 3.13Å; R2168-S2171 PolarHBondContact O-N 3.11Å; R2168-E2172 IonicContact NE-OE1 3.21Å; R2168-E2172 WeakPolarHBondContact O-CB 3.44Å; R2168-E2172 PolarHBondContact O-N 3.23Å |
| 2169 | V | 42.5 | Very low | 42.4 | Very low | 64.3333 Ų | 64.3333 | 108.5 Ų | 108.5 | 39% | 0.39 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 178.1 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | R2165 T2166 S2171 E2172 L2173 W2206 | R2165-V2169 VanDerWaalsContact O-CG2 3.29Å; R2165-V2169 WeakPolarHBondContact O-CG2 3.32Å; T2166-V2169 PolarHBondContact O-N 2.97Å; T2166-V2169 VanDerWaalsContact OG1-CG2 3.31Å; T2166-V2169 WeakPolarHBondContact OG1-CG2 3.38Å; T2166-V2169 PolarHBondContact OG1-N 3.45Å; V2169-S2171 VanDerWaalsContact C-N 3.33Å; V2169-S2171 PolarHBondContact O-N 3.45Å; V2169-E2172 PolarHBondContact O-N 3.48Å; V2169-L2173 HydrophobicContact CG1-CD1 3.6Å; V2169-L2173 HydrophobicContact CG1-CG 4.11Å; V2169-L2173 VanDerWaalsContact O-CB 3.25Å; V2169-L2173 WeakPolarHBondContact O-CB 3.37Å; V2169-L2173 WeakPolarHBondContact O-CD1 3.2Å; V2169-L2173 WeakPolarHBondContact O-CG 3.49Å; V2169-L2173 PolarHBondContact O-N 3Å; V2169-W2206 HydrophobicContact CG1-CH2 4.36Å; V2169-W2206 HydrophobicContact CG1-CZ3 4.17Å |
| 2170 | D | 44 | Very low | 42.7 | Very low | 84.6667 Ų | 84.6667 | 111.5 Ų | 111.5 | 45% | 0.453 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.1 | -34.8 | 175.1 | -81.4 | -11.6 | 0 | 0 | 0 | 112.5 | T2166 R2168 Q2174 | T2166-D2170 PolarHBondContact O-N 3.37Å; R2168-D2170 VanDerWaalsContact C-N 3.32Å; R2168-D2170 PolarHBondContact O-N 3.13Å; D2170-Q2174 VanDerWaalsContact O-CB 3.31Å; D2170-Q2174 WeakPolarHBondContact O-CB 3.4Å; D2170-Q2174 VanDerWaalsContact O-CG 3.22Å; D2170-Q2174 WeakPolarHBondContact O-CG 3.43Å; D2170-Q2174 PolarHBondContact O-N 3.15Å |
| 2171 | S | 46 | Very low | 43.3 | Very low | 74.3333 Ų | 74.3333 | 113.9 Ų | 113.9 | 52% | 0.52 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.8 | -42.1 | 177.9 | -60.8 | 0 | 0 | 0 | 0 | 112.1 | N2167 R2168 V2169 Q2174 F2175 | N2167-S2171 VanDerWaalsContact O-CB 3.31Å; N2167-S2171 WeakPolarHBondContact O-CB 3.33Å; N2167-S2171 PolarHBondContact O-N 3.08Å; N2167-S2171 VanDerWaalsContact O-N 3.15Å; N2167-S2171 PolarHBondContact O-OG 3.06Å; R2168-S2171 PolarHBondContact O-N 3.11Å; V2169-S2171 VanDerWaalsContact C-N 3.33Å; V2169-S2171 PolarHBondContact O-N 3.45Å; S2171-Q2174 PolarHBondContact O-N 3.37Å; S2171-F2175 WeakPolarHBondContact O-CB 3.3Å; S2171-F2175 PolarHBondContact O-N 3.27Å |
| 2172 | E | 42.7 | Very low | 43.6 | Very low | 114.333 Ų | 114.333 | 116.1 Ų | 116.1 | 53% | 0.534 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -73 | -38.7 | 178.1 | -75.9 | 176.6 | 174 | 0 | 0 | 112 | R2168 V2169 Q2174 F2175 I2176 | R2168-E2172 IonicContact NE-OE1 3.21Å; R2168-E2172 WeakPolarHBondContact O-CB 3.44Å; R2168-E2172 PolarHBondContact O-N 3.23Å; V2169-E2172 PolarHBondContact O-N 3.48Å; E2172-Q2174 VanDerWaalsContact C-N 3.32Å; E2172-Q2174 PolarHBondContact O-N 2.92Å; E2172-F2175 WeakPolarHBondContact O-CB 3.46Å; E2172-F2175 PolarHBondContact O-N 3.27Å; E2172-I2176 WeakPolarHBondContact O-CB 3.42Å; E2172-I2176 WeakPolarHBondContact O-CD1 3.45Å; E2172-I2176 VanDerWaalsContact O-CG1 3.26Å; E2172-I2176 WeakPolarHBondContact O-CG1 3.41Å; E2172-I2176 PolarHBondContact O-N 3.13Å |
| 2173 | L | 43.5 | Very low | 43.7 | Very low | 82.3333 Ų | 82.3333 | 116.7 Ų | 116.7 | 43% | 0.431 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.1 | -36.9 | 172.6 | -79.7 | 164.1 | 0 | 0 | 0 | 112 | V2169 F2175 N2177 | V2169-L2173 HydrophobicContact CG1-CD1 3.6Å; V2169-L2173 HydrophobicContact CG1-CG 4.11Å; V2169-L2173 VanDerWaalsContact O-CB 3.25Å; V2169-L2173 WeakPolarHBondContact O-CB 3.37Å; V2169-L2173 WeakPolarHBondContact O-CD1 3.2Å; V2169-L2173 WeakPolarHBondContact O-CG 3.49Å; V2169-L2173 PolarHBondContact O-N 3Å; L2173-F2175 VanDerWaalsContact C-N 3.33Å; L2173-N2177 VanDerWaalsContact O-CB 3.24Å; L2173-N2177 WeakPolarHBondContact O-CB 3.4Å; L2173-N2177 VanDerWaalsContact O-CG 3.31Å; L2173-N2177 PolarHBondContact O-N 3.29Å; L2173-N2177 PolarHBondContact O-ND2 2.96Å |
| 2174 | Q | 46.6 | Very low | 43.9 | Very low | 126.333 Ų | 126.333 | 116.9 Ų | 116.9 | 59% | 0.59 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.2 | -38.7 | 172 | -78.9 | -178.6 | 10.3 | 0 | 0 | 111.7 | D2170 S2171 E2172 N2178 | D2170-Q2174 VanDerWaalsContact O-CB 3.31Å; D2170-Q2174 WeakPolarHBondContact O-CB 3.4Å; D2170-Q2174 VanDerWaalsContact O-CG 3.22Å; D2170-Q2174 WeakPolarHBondContact O-CG 3.43Å; D2170-Q2174 PolarHBondContact O-N 3.15Å; S2171-Q2174 PolarHBondContact O-N 3.37Å; E2172-Q2174 VanDerWaalsContact C-N 3.32Å; E2172-Q2174 PolarHBondContact O-N 2.92Å; Q2174-N2178 WeakPolarHBondContact O-CB 3.28Å; Q2174-N2178 PolarHBondContact O-N 3.34Å; Q2174-N2178 PolarHBondContact O-ND2 3.23Å |
| 2175 | F | 46.8 | Very low | 44.2 | Very low | 139 Ų | 139 | 120.7 Ų | 120.7 | 61% | 0.61 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.2 | -44.8 | 177.4 | -162.1 | -95.8 | 0 | 0 | 0 | 111.8 | S2171 E2172 L2173 N2178 M2179 | S2171-F2175 WeakPolarHBondContact O-CB 3.3Å; S2171-F2175 PolarHBondContact O-N 3.27Å; E2172-F2175 WeakPolarHBondContact O-CB 3.46Å; E2172-F2175 PolarHBondContact O-N 3.27Å; L2173-F2175 VanDerWaalsContact C-N 3.33Å; F2175-N2178 PolarHBondContact O-N 3.01Å; F2175-M2179 HydrophobicContact CD1-CE 4.25Å; F2175-M2179 HydrophobicContact CD1-CG 4.46Å; F2175-M2179 HydrophobicContact CE1-CE 3.83Å; F2175-M2179 HydrophobicContact CE1-CG 4.35Å; F2175-M2179 HydrophobicContact CZ-CE 4.47Å; F2175-M2179 WeakPolarHBondContact O-CG 3.34Å; F2175-M2179 PolarHBondContact O-N 3.17Å |
| 2176 | I | 46.1 | Very low | 44.5 | Very low | 87.6667 Ų | 87.6667 | 121.3 Ų | 121.3 | 45% | 0.45 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.9 | -40.3 | 177.6 | -65.7 | 166.5 | 0 | 0 | 0 | 111.1 | E2172 N2178 M2179 K2180 | E2172-I2176 WeakPolarHBondContact O-CB 3.42Å; E2172-I2176 WeakPolarHBondContact O-CD1 3.45Å; E2172-I2176 VanDerWaalsContact O-CG1 3.26Å; E2172-I2176 WeakPolarHBondContact O-CG1 3.41Å; E2172-I2176 PolarHBondContact O-N 3.13Å; I2176-N2178 VanDerWaalsContact C-N 3.34Å; I2176-M2179 WeakPolarHBondContact O-CB 3.32Å; I2176-M2179 PolarHBondContact O-N 3.3Å; I2176-K2180 PolarHBondContact O-N 3.12Å |
| 2177 | N | 48.4 | Very low | 44.4 | Very low | 84 Ų | 84 | 126.1 Ų | 126.1 | 45% | 0.449 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -69.3 | -33.1 | 175.8 | -82.5 | -24.8 | 0 | 0 | 0 | 112.6 | L2173 M2179 K2180 Q2181 | L2173-N2177 VanDerWaalsContact O-CB 3.24Å; L2173-N2177 WeakPolarHBondContact O-CB 3.4Å; L2173-N2177 VanDerWaalsContact O-CG 3.31Å; L2173-N2177 PolarHBondContact O-N 3.29Å; L2173-N2177 PolarHBondContact O-ND2 2.96Å; N2177-M2179 VanDerWaalsContact C-N 3.35Å; N2177-K2180 PolarHBondContact O-N 3.1Å; N2177-Q2181 WeakPolarHBondContact O-CB 3.44Å; N2177-Q2181 PolarHBondContact O-N 3.12Å |
| 2178 | N | 48.5 | Very low | 44.2 | Very low | 94.3333 Ų | 94.3333 | 127.3 Ų | 127.3 | 50% | 0.504 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -68 | -39 | 173.2 | -76.3 | -17.3 | 0 | 0 | 0 | 111.5 | Q2174 F2175 I2176 K2180 Q2181 Q2182 | Q2174-N2178 WeakPolarHBondContact O-CB 3.28Å; Q2174-N2178 PolarHBondContact O-N 3.34Å; Q2174-N2178 PolarHBondContact O-ND2 3.23Å; F2175-N2178 PolarHBondContact O-N 3.01Å; I2176-N2178 VanDerWaalsContact C-N 3.34Å; N2178-K2180 VanDerWaalsContact C-N 3.33Å; N2178-K2180 PolarHBondContact O-N 3.21Å; N2178-Q2181 PolarHBondContact O-N 3.18Å; N2178-Q2182 PolarHBondContact O-N 3.26Å |
| 2179 | M | 46.3 | Very low | 44.3 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 61% | 0.611 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.4 | -41.3 | 172.5 | -79.6 | -102.9 | -110 | 0 | 0 | 111.8 | F2175 I2176 N2177 Q2181 Q2182 | F2175-M2179 HydrophobicContact CD1-CE 4.25Å; F2175-M2179 HydrophobicContact CD1-CG 4.46Å; F2175-M2179 HydrophobicContact CE1-CE 3.83Å; F2175-M2179 HydrophobicContact CE1-CG 4.35Å; F2175-M2179 HydrophobicContact CZ-CE 4.47Å; F2175-M2179 WeakPolarHBondContact O-CG 3.34Å; F2175-M2179 PolarHBondContact O-N 3.17Å; I2176-M2179 WeakPolarHBondContact O-CB 3.32Å; I2176-M2179 PolarHBondContact O-N 3.3Å; N2177-M2179 VanDerWaalsContact C-N 3.35Å; M2179-Q2181 VanDerWaalsContact C-N 3.29Å; M2179-Q2181 PolarHBondContact O-N 3.05Å; M2179-Q2182 PolarHBondContact O-N 3.44Å |
| 2180 | K | 47.1 | Very low | 44.1 | Very low | 155.667 Ų | 155.667 | 131.3 Ų | 131.3 | 68% | 0.677 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.1 | -24.3 | 178 | -75.1 | -176 | 177.2 | -179.2 | 0 | 114.1 | I2176 N2177 N2178 | I2176-K2180 PolarHBondContact O-N 3.12Å; N2177-K2180 PolarHBondContact O-N 3.1Å; N2178-K2180 VanDerWaalsContact C-N 3.33Å; N2178-K2180 PolarHBondContact O-N 3.21Å |
| 2181 | Q | 49.2 | Very low | 43.6 | Very low | 149.667 Ų | 149.667 | 136.7 Ų | 136.7 | 70% | 0.699 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -90.9 | -9.6 | -179.7 | -75.9 | -175.4 | 16.1 | 0 | 0 | 114.5 | N2177 N2178 M2179 Q2183 | N2177-Q2181 WeakPolarHBondContact O-CB 3.44Å; N2177-Q2181 PolarHBondContact O-N 3.12Å; N2178-Q2181 PolarHBondContact O-N 3.18Å; M2179-Q2181 VanDerWaalsContact C-N 3.29Å; M2179-Q2181 PolarHBondContact O-N 3.05Å; Q2181-Q2183 VanDerWaalsContact C-N 3.3Å |
| 2182 | Q | 46 | Very low | 42.9 | Very low | 171 Ų | 171 | 140 Ų | 140 | 80% | 0.799 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -100.8 | 1.4 | 179.2 | -78 | -178.5 | -3.8 | 0 | 0 | 115.1 | N2178 M2179 N2184 | N2178-Q2182 PolarHBondContact O-N 3.26Å; M2179-Q2182 PolarHBondContact O-N 3.44Å; Q2182-N2184 PolarHBondContact O-N 3.14Å |
| 2183 | Q | 40.9 | Very low | 42.5 | Very low | 175 Ų | 175 | 139.4 Ų | 139.4 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | trans | -100.9 | 74.4 | 169.2 | -100.1 | 172.5 | -21.3 | 0 | 0 | 110.4 | Q2181 | Q2181-Q2183 VanDerWaalsContact C-N 3.3Š| ||
| 2184 | N | 41.8 | Very low | 42.2 | Very low | 130.333 Ų | 130.333 | 140.8 Ų | 140.8 | 70% | 0.697 | 71% | 0.707 | S | S | * | * | trans | -102.9 | 128 | 157.3 | -80.1 | -25.7 | 0 | 0 | 0 | 108.1 | Q2182 D2186 | Q2182-N2184 PolarHBondContact O-N 3.14Å; N2184-D2186 PolarHBondContact O-N 3.34Å | ||
| 2185 | D | 43.3 | Very low | 41.8 | Very low | 146.333 Ų | 146.333 | 141.4 Ų | 141.4 | 78% | 0.783 | 72% | 0.715 | S | S | * | * | trans | 50.3 | 80.2 | 151.3 | -50.1 | -29 | 0 | 0 | 0 | 116.8 | ||||
| 2186 | D | 42.5 | Very low | 41.4 | Very low | 170.333 Ų | 170.333 | 141.8 Ų | 141.8 | 91% | 0.911 | 72% | 0.723 | S | S | * | * | trans | -150.2 | 128.5 | 139.2 | -87.4 | -36.5 | 0 | 0 | 0 | 109.3 | N2184 | N2184-D2186 PolarHBondContact O-N 3.34Š| ||
| 2187 | E | 40.2 | Very low | 41 | Very low | 175.667 Ų | 175.667 | 142.9 Ų | 142.9 | 82% | 0.821 | 73% | 0.734 | S | S | * | * | trans | -70.3 | 152.3 | -170 | -64 | 169.5 | 151.1 | 0 | 0 | 112.7 | ||||
| 2188 | D | 38.3 | Very low | 40.5 | Very low | 147.333 Ų | 147.333 | 144.5 Ų | 144.5 | 79% | 0.788 | 75% | 0.747 | S | S | * | * | trans | 61 | 91.7 | 156.1 | -55.7 | -26 | 0 | 0 | 0 | 118.4 | ||||
| 2189 | D | 40.3 | Very low | 40 | Very low | 155.667 Ų | 155.667 | 145.1 Ų | 145.1 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | -156 | 122.7 | 134.8 | -98.9 | -28.8 | 0 | 0 | 0 | 112.3 | Y2191 | D2189-Y2191 VanDerWaalsContact C-N 3.3Å; D2189-Y2191 HydrophobicContact CB-CD2 4.31Å; D2189-Y2191 PolarHBondContact O-N 3.13Å; D2189-Y2191 VanDerWaalsContact O-N 3.11Å | ||
| 2190 | D | 36.7 | Very low | 39.8 | Very low | 168.333 Ų | 168.333 | 146.7 Ų | 146.7 | 90% | 0.9 | 76% | 0.76 | S | S | * | * | trans | -72.1 | 77.3 | -174.8 | -145.2 | 2.4 | 0 | 0 | 0 | 111.2 | ||||
| 2191 | Y | 34 | Very low | 39.7 | Very low | 199.667 Ų | 199.667 | 145.9 Ų | 145.9 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | -117 | 108.1 | 169.8 | -92.7 | -87.9 | 0 | 0 | 0 | 111.6 | D2189 | D2189-Y2191 VanDerWaalsContact C-N 3.3Å; D2189-Y2191 HydrophobicContact CB-CD2 4.31Å; D2189-Y2191 PolarHBondContact O-N 3.13Å; D2189-Y2191 VanDerWaalsContact O-N 3.11Å | ||
| 2192 | L | 31.1 | Very low | 39.6 | Very low | 143.667 Ų | 143.667 | 146.5 Ų | 146.5 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | 41.9 | 100.8 | 156.4 | -87.3 | 122.1 | 0 | 0 | 0 | 116 | V2194 | L2192-V2194 WeakPolarHBondContact O-CG2 3.46Å; L2192-V2194 PolarHBondContact O-N 2.96Å | ||
| 2193 | S | 34.2 | Very low | 39.6 | Very low | 101.667 Ų | 101.667 | 147.3 Ų | 147.3 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | -46.7 | 101.3 | 160.4 | 56.6 | 0 | 0 | 0 | 0 | 111.1 | D2195 | S2193-D2195 PolarHBondContact O-N 3.06Š| ||
| 2194 | V | 38.2 | Very low | 40 | Very low | 110.667 Ų | 110.667 | 143.6 Ų | 143.6 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | trans | -78.1 | 58.8 | 165.2 | -176.8 | 0 | 0 | 0 | 0 | 107.9 | L2192 D2196 T2197 | L2192-V2194 WeakPolarHBondContact O-CG2 3.46Å; L2192-V2194 PolarHBondContact O-N 2.96Å; V2194-D2196 HydrophobicContact CG1-CB 4.25Å; V2194-D2196 PolarHBondContact O-N 3.37Å; V2194-T2197 HydrophobicContact CG1-CG2 3.49Å; V2194-T2197 VanDerWaalsContact CG1-CG2 3.49Å; V2194-T2197 PolarHBondContact O-N 3.23Å; V2194-T2197 PolarHBondContact O-OG1 2.88Å; V2194-T2197 VanDerWaalsContact O-OG1 3.05Å | ||
| 2195 | D | 38.5 | Very low | 41 | Very low | 139 Ų | 139 | 142.3 Ų | 142.3 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | -76.3 | 3 | 174.1 | -90.2 | -14 | 0 | 0 | 0 | 112.8 | S2193 T2197 | S2193-D2195 PolarHBondContact O-N 3.06Å; D2195-T2197 PolarHBondContact O-N 3.23Å | ||
| 2196 | D | 36.8 | Very low | 41.5 | Very low | 148 Ų | 148 | 142 Ų | 142 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | trans | -88.8 | 50 | 162.7 | -73.9 | -22.8 | 0 | 0 | 0 | 110.3 | V2194 V2198 | V2194-D2196 HydrophobicContact CG1-CB 4.25Å; V2194-D2196 PolarHBondContact O-N 3.37Å; D2196-V2198 VanDerWaalsContact C-N 3.25Å; D2196-V2198 PolarHBondContact O-N 3.02Å | ||
| 2197 | T | 38.6 | Very low | 42.3 | Very low | 109.667 Ų | 109.667 | 135.6 Ų | 135.6 | 67% | 0.673 | 71% | 0.71 | S | S | * | * | trans | -61 | 93.7 | 154.1 | 42.8 | 0 | 0 | 0 | 0 | 106.9 | V2194 D2195 N2199 | V2194-T2197 HydrophobicContact CG1-CG2 3.49Å; V2194-T2197 VanDerWaalsContact CG1-CG2 3.49Å; V2194-T2197 PolarHBondContact O-N 3.23Å; V2194-T2197 PolarHBondContact O-OG1 2.88Å; V2194-T2197 VanDerWaalsContact O-OG1 3.05Å; D2195-T2197 PolarHBondContact O-N 3.23Å; T2197-N2199 PolarHBondContact O-N 2.94Å | ||
| 2198 | V | 37.9 | Very low | 43.4 | Very low | 118.667 Ų | 118.667 | 130.7 Ų | 130.7 | 72% | 0.719 | 69% | 0.692 | S | S | * | * | trans | -44.5 | 115.8 | 163.6 | 177.7 | 0 | 0 | 0 | 0 | 106 | D2196 L2200 | D2196-V2198 VanDerWaalsContact C-N 3.25Å; D2196-V2198 PolarHBondContact O-N 3.02Å; V2198-L2200 VanDerWaalsContact C-N 3.31Å; V2198-L2200 PolarHBondContact O-N 3.02Å | ||
| 2199 | N | 37.3 | Very low | 44.6 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 57% | 0.567 | 68% | 0.675 | S | S | * | * | trans | -51.6 | 93.7 | -179.2 | -169 | 15.5 | 0 | 0 | 0 | 109 | T2197 D2201 E2202 | T2197-N2199 PolarHBondContact O-N 2.94Å; N2199-D2201 PolarHBondContact O-N 2.97Å; N2199-D2201 VanDerWaalsContact O-N 3.13Å; N2199-D2201 WeakPolarHBondContact OD1-CB 3.25Å; N2199-E2202 PolarHBondContact O-N 3.48Å | ||
| 2200 | L | 43.6 | Very low | 45.6 | Very low | 157.667 Ų | 157.667 | 122.7 Ų | 122.7 | 83% | 0.825 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 4.3 | 177.7 | -86.8 | 139.8 | 0 | 0 | 0 | 111.9 | V2198 E2202 | V2198-L2200 VanDerWaalsContact C-N 3.31Å; V2198-L2200 PolarHBondContact O-N 3.02Å; L2200-E2202 PolarHBondContact O-N 2.87Å |
| 2201 | D | 45.2 | Very low | 47.2 | Very low | 140 Ų | 140 | 119.1 Ų | 119.1 | 75% | 0.749 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 1.8 | 174 | -65.2 | -15 | 0 | 0 | 0 | 113.1 | N2199 E2203 | N2199-D2201 PolarHBondContact O-N 2.97Å; N2199-D2201 VanDerWaalsContact O-N 3.13Å; N2199-D2201 WeakPolarHBondContact OD1-CB 3.25Å; D2201-E2203 VanDerWaalsContact C-N 3.31Å; D2201-E2203 PolarHBondContact O-N 3.27Å |
| 2202 | E | 45.5 | Very low | 49 | Very low | 161 Ų | 161 | 113.7 Ų | 113.7 | 75% | 0.752 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -71.4 | 90.5 | 157.2 | -73.9 | -167.8 | -177.2 | 0 | 0 | 107.8 | N2199 L2200 I2204 | N2199-E2202 PolarHBondContact O-N 3.48Å; L2200-E2202 PolarHBondContact O-N 2.87Å; E2202-I2204 VanDerWaalsContact C-N 3.3Å; E2202-I2204 PolarHBondContact O-N 3.17Å |
| 2203 | E | 46.6 | Very low | 51 | Low | 189.5 Ų | 189.5 | 111.8 Ų | 111.8 | 89% | 0.886 | 61% | 0.607 | S | S | * | * | trans | -50.5 | 96 | 167.7 | -121.1 | 178.4 | 173.5 | 0 | 0 | 108.1 | D2201 D2205 | D2201-E2203 VanDerWaalsContact C-N 3.31Å; D2201-E2203 PolarHBondContact O-N 3.27Å; E2203-D2205 PolarHBondContact O-N 3.12Å | ||
| 2204 | I | 50.2 | Low | 53 | Low | 96.5 Ų | 96.5 | 107.9 Ų | 107.9 | 50% | 0.495 | 58% | 0.579 | S | S | . | * | trans | -60.1 | 108.7 | 172.7 | -63 | 172.8 | 0 | 0 | 0 | 105.8 | E2202 W2206 | E2202-I2204 VanDerWaalsContact C-N 3.3Å; E2202-I2204 PolarHBondContact O-N 3.17Å; I2204-W2206 VanDerWaalsContact C-N 3.27Å; I2204-W2206 HydrophobicContact CG2-CD2 4.29Å; I2204-W2206 HydrophobicContact CG2-CE3 4.38Å; I2204-W2206 HydrophobicContact CG2-CZ2 4.48Å; I2204-W2206 PolarHBondContact O-N 2.97Å; I2204-W2206 PolarHBondContact O-NE1 3.18Å | ||
| 2205 | D | 61.2 | Low | 55 | Low | 103.5 Ų | 103.5 | 107.4 Ų | 107.4 | 55% | 0.553 | 57% | 0.572 | S | S | * | * | trans | -68.9 | 89.2 | 172.2 | -173.2 | -11.4 | 0 | 0 | 0 | 108 | E2203 G2207 V2208 E2209 | E2203-D2205 PolarHBondContact O-N 3.12Å; D2205-G2207 PolarHBondContact O-N 3.18Å; D2205-G2207 WeakPolarHBondContact OD1-CA 3.46Å; D2205-G2207 PolarHBondContact OD1-N 3.33Å; D2205-V2208 HydrophobicContact CB-CB 4.25Å; D2205-V2208 HydrophobicContact CB-CG2 4.02Å; D2205-V2208 WeakPolarHBondContact O-CA 3.45Å; D2205-V2208 WeakPolarHBondContact O-CB 3.32Å; D2205-V2208 PolarHBondContact O-N 3.47Å; D2205-V2208 PolarHBondContact OD1-N 3.27Å; D2205-V2208 WeakPolarHBondContact OD2-CG2 3.39Å; D2205-E2209 PolarHBondContact O-N 3.16Å; D2205-E2209 VanDerWaalsContact O-N 3.16Å | ||
| 2206 | W | 55.7 | Low | 57.1 | Low | 139 Ų | 139 | 105.6 Ų | 105.6 | 53% | 0.527 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -54 | -22.4 | 177.8 | -62.7 | 96.6 | 0 | 0 | 0 | 112.6 | V2169 I2204 A2210 | V2169-W2206 HydrophobicContact CG1-CH2 4.36Å; V2169-W2206 HydrophobicContact CG1-CZ3 4.17Å; I2204-W2206 VanDerWaalsContact C-N 3.27Å; I2204-W2206 HydrophobicContact CG2-CD2 4.29Å; I2204-W2206 HydrophobicContact CG2-CE3 4.38Å; I2204-W2206 HydrophobicContact CG2-CZ2 4.48Å; I2204-W2206 PolarHBondContact O-N 2.97Å; I2204-W2206 PolarHBondContact O-NE1 3.18Å; W2206-A2210 VanDerWaalsContact O-CB 3.25Å; W2206-A2210 WeakPolarHBondContact O-CB 3.34Å; W2206-A2210 PolarHBondContact O-N 3.2Å |
| 2207 | G | 57.6 | Low | 59.4 | Low | 35.5 Ų | 35.5 | 98.8 Ų | 98.8 | 37% | 0.366 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72.3 | -36.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D2205 N2211 | D2205-G2207 PolarHBondContact O-N 3.18Å; D2205-G2207 WeakPolarHBondContact OD1-CA 3.46Å; D2205-G2207 PolarHBondContact OD1-N 3.33Å; G2207-N2211 WeakPolarHBondContact O-CB 3.47Å; G2207-N2211 VanDerWaalsContact O-CG 3.32Å; G2207-N2211 PolarHBondContact O-N 3.11Å; G2207-N2211 VanDerWaalsContact O-N 3.12Å; G2207-N2211 PolarHBondContact O-ND2 3.23Å |
| 2208 | V | 63.7 | Low | 61.8 | Low | 74 Ų | 74 | 94.8 Ų | 94.8 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.3 | -42 | 172.3 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | D2205 N2211 N2212 | D2205-V2208 HydrophobicContact CB-CB 4.25Å; D2205-V2208 HydrophobicContact CB-CG2 4.02Å; D2205-V2208 WeakPolarHBondContact O-CA 3.45Å; D2205-V2208 WeakPolarHBondContact O-CB 3.32Å; D2205-V2208 PolarHBondContact O-N 3.47Å; D2205-V2208 PolarHBondContact OD1-N 3.27Å; D2205-V2208 WeakPolarHBondContact OD2-CG2 3.39Å; V2208-N2211 PolarHBondContact O-N 3.38Å; V2208-N2212 WeakPolarHBondContact O-CB 3.45Å; V2208-N2212 PolarHBondContact O-N 3.09Å; V2208-N2212 PolarHBondContact O-ND2 3.24Å |
| 2209 | E | 63.1 | Low | 64.2 | Low | 92 Ų | 92 | 92.5 Ų | 92.5 | 43% | 0.43 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 179.4 | -161.2 | 62.7 | -163.3 | 0 | 0 | 111.9 | D2205 N2211 N2212 I2213 | D2205-E2209 PolarHBondContact O-N 3.16Å; D2205-E2209 VanDerWaalsContact O-N 3.16Å; E2209-N2211 PolarHBondContact O-N 3.12Å; E2209-N2212 PolarHBondContact O-N 3.08Å; E2209-I2213 HydrophobicContact CG-CD1 4.29Å; E2209-I2213 WeakPolarHBondContact O-CD1 3.31Å; E2209-I2213 VanDerWaalsContact O-CG1 3.3Å; E2209-I2213 WeakPolarHBondContact O-CG1 3.26Å; E2209-I2213 PolarHBondContact O-N 2.76Å |
| 2210 | A | 61.8 | Low | 66.7 | Low | 42.5 Ų | 42.5 | 88.7 Ų | 88.7 | 35% | 0.351 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.9 | -47.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | W2206 N2212 I2213 T2214 | W2206-A2210 VanDerWaalsContact O-CB 3.25Å; W2206-A2210 WeakPolarHBondContact O-CB 3.34Å; W2206-A2210 PolarHBondContact O-N 3.2Å; A2210-N2212 VanDerWaalsContact C-N 3.33Å; A2210-N2212 PolarHBondContact O-N 3.06Å; A2210-I2213 PolarHBondContact O-N 3.44Å; A2210-T2214 WeakPolarHBondContact O-CB 3.48Å; A2210-T2214 PolarHBondContact O-N 2.94Å; A2210-T2214 PolarHBondContact O-OG1 3.26Å; A2210-T2214 VanDerWaalsContact O-OG1 3.05Å |
| 2211 | N | 70.2 | Confident | 69.1 | Low | 93.5 Ų | 93.5 | 81.3 Ų | 81.3 | 50% | 0.5 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.2 | -38.4 | 176.2 | -81.7 | -31.6 | 0 | 0 | 0 | 112.8 | G2207 V2208 E2209 T2214 N2215 | G2207-N2211 WeakPolarHBondContact O-CB 3.47Å; G2207-N2211 VanDerWaalsContact O-CG 3.32Å; G2207-N2211 PolarHBondContact O-N 3.11Å; G2207-N2211 VanDerWaalsContact O-N 3.12Å; G2207-N2211 PolarHBondContact O-ND2 3.23Å; V2208-N2211 PolarHBondContact O-N 3.38Å; E2209-N2211 PolarHBondContact O-N 3.12Å; N2211-T2214 PolarHBondContact O-N 3.06Å; N2211-N2215 VanDerWaalsContact O-CB 3.31Å; N2211-N2215 WeakPolarHBondContact O-CB 3.38Å; N2211-N2215 VanDerWaalsContact O-CG 3.23Å; N2211-N2215 PolarHBondContact O-N 3.05Å; N2211-N2215 PolarHBondContact O-ND2 3.24Å |
| 2212 | N | 72.4 | Confident | 71.4 | Confident | 85.5 Ų | 85.5 | 75.7 Ų | 75.7 | 46% | 0.457 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 176.5 | -76.9 | -21.9 | 0 | 0 | 0 | 111.5 | V2208 E2209 A2210 N2215 Q2216 | V2208-N2212 WeakPolarHBondContact O-CB 3.45Å; V2208-N2212 PolarHBondContact O-N 3.09Å; V2208-N2212 PolarHBondContact O-ND2 3.24Å; E2209-N2212 PolarHBondContact O-N 3.08Å; A2210-N2212 VanDerWaalsContact C-N 3.33Å; A2210-N2212 PolarHBondContact O-N 3.06Å; N2212-N2215 PolarHBondContact O-N 3.31Å; N2212-Q2216 WeakPolarHBondContact O-CB 3.3Å; N2212-Q2216 PolarHBondContact O-N 3.19Å |
| 2213 | I | 72.6 | Confident | 73.7 | Confident | 103 Ų | 103 | 69.6 Ų | 69.6 | 53% | 0.528 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 175.5 | -66.9 | 161.7 | 0 | 0 | 0 | 110.3 | E2209 A2210 Q2216 C2217 | E2209-I2213 HydrophobicContact CG-CD1 4.29Å; E2209-I2213 WeakPolarHBondContact O-CD1 3.31Å; E2209-I2213 VanDerWaalsContact O-CG1 3.3Å; E2209-I2213 WeakPolarHBondContact O-CG1 3.26Å; E2209-I2213 PolarHBondContact O-N 2.76Å; A2210-I2213 PolarHBondContact O-N 3.44Å; I2213-Q2216 PolarHBondContact O-N 2.95Å; I2213-C2217 VanDerWaalsContact O-CB 3.3Å; I2213-C2217 WeakPolarHBondContact O-CB 3.39Å; I2213-C2217 PolarHBondContact O-N 3.43Å |
| 2214 | T | 75.6 | Confident | 76 | Confident | 21 Ų | 21 | 60.6 Ų | 60.6 | 13% | 0.129 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 178.2 | -57.3 | 0 | 0 | 0 | 0 | 111 | L2151 E2154 A2210 N2211 Q2216 C2217 V2218 | L2151-T2214 HydrophobicContact CD2-CG2 4.1Å; E2154-T2214 PolarHBondContact OE1-OG1 3.19Å; A2210-T2214 WeakPolarHBondContact O-CB 3.48Å; A2210-T2214 PolarHBondContact O-N 2.94Å; A2210-T2214 PolarHBondContact O-OG1 3.26Å; A2210-T2214 VanDerWaalsContact O-OG1 3.05Å; N2211-T2214 PolarHBondContact O-N 3.06Å; T2214-Q2216 VanDerWaalsContact C-N 3.34Å; T2214-Q2216 PolarHBondContact O-N 3.28Å; T2214-C2217 WeakPolarHBondContact O-CB 3.36Å; T2214-C2217 PolarHBondContact O-N 3.16Å; T2214-V2218 VanDerWaalsContact O-CG2 3.3Å; T2214-V2218 WeakPolarHBondContact O-CG2 3.38Å; T2214-V2218 PolarHBondContact O-N 3.39Å |
| 2215 | N | 80.9 | Confident | 78.3 | Confident | 99.5 Ų | 99.5 | 56 Ų | 56 | 53% | 0.532 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 176.4 | -76.2 | -41.7 | 0 | 0 | 0 | 112.4 | N2211 N2212 V2218 T2219 | N2211-N2215 VanDerWaalsContact O-CB 3.31Å; N2211-N2215 WeakPolarHBondContact O-CB 3.38Å; N2211-N2215 VanDerWaalsContact O-CG 3.23Å; N2211-N2215 PolarHBondContact O-N 3.05Å; N2211-N2215 PolarHBondContact O-ND2 3.24Å; N2212-N2215 PolarHBondContact O-N 3.31Å; N2215-V2218 PolarHBondContact O-N 3.05Å; N2215-T2219 WeakPolarHBondContact O-CG2 3.28Å; N2215-T2219 PolarHBondContact O-N 3.35Å; N2215-T2219 VanDerWaalsContact O-N 3.08Å; N2215-T2219 PolarHBondContact O-OG1 3.27Å |
| 2216 | Q | 82.8 | Confident | 80 | Confident | 102.5 Ų | 102.5 | 53.5 Ų | 53.5 | 48% | 0.479 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.6 | -39.5 | 175.8 | -172.1 | 60.7 | 38.5 | 0 | 0 | 111.7 | N2212 I2213 T2214 T2219 N2220 | N2212-Q2216 WeakPolarHBondContact O-CB 3.3Å; N2212-Q2216 PolarHBondContact O-N 3.19Å; I2213-Q2216 PolarHBondContact O-N 2.95Å; T2214-Q2216 VanDerWaalsContact C-N 3.34Å; T2214-Q2216 PolarHBondContact O-N 3.28Å; Q2216-T2219 WeakPolarHBondContact CA-OG1 3.21Å; Q2216-T2219 PolarHBondContact O-N 3.15Å; Q2216-T2219 PolarHBondContact O-OG1 3.04Å; Q2216-N2220 PolarHBondContact NE2-OD1 3.1Å; Q2216-N2220 VanDerWaalsContact O-CB 3.32Å; Q2216-N2220 WeakPolarHBondContact O-CB 3.39Å; Q2216-N2220 PolarHBondContact O-N 2.92Å; Q2216-N2220 PolarHBondContact O-ND2 2.94Å; Q2216-N2220 PolarHBondContact O-OD1 3.3Å |
| 2217 | C | 85.7 | Confident | 81.9 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.034 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | 175.4 | -172.1 | 0 | 0 | 0 | 0 | 111.3 | E2147 L2151 I2213 T2214 T2219 N2220 V2221 | E2147-C2217 PolarHBondContact O-SG 3.01Å; E2147-C2217 PolarHBondContact OE2-SG 3.13Å; L2151-C2217 HydrophobicContact CD2-CB 3.8Å; L2151-C2217 VanDerWaalsContact CD2-SG 3.53Å; L2151-C2217 HydrophobicContact CG-CB 4.4Å; L2151-C2217 VanDerWaalsContact CG-SG 3.53Å; L2151-C2217 WeakPolarHBondContact CG-SG 3.35Å; I2213-C2217 VanDerWaalsContact O-CB 3.3Å; I2213-C2217 WeakPolarHBondContact O-CB 3.39Å; I2213-C2217 PolarHBondContact O-N 3.43Å; T2214-C2217 WeakPolarHBondContact O-CB 3.36Å; T2214-C2217 PolarHBondContact O-N 3.16Å; C2217-T2219 VanDerWaalsContact C-N 3.35Å; C2217-T2219 PolarHBondContact O-N 3Å; C2217-N2220 PolarHBondContact O-N 3.49Å; C2217-V2221 WeakPolarHBondContact O-CB 3.48Å; C2217-V2221 VanDerWaalsContact O-CG2 3.31Å; C2217-V2221 WeakPolarHBondContact O-CG2 3.42Å; C2217-V2221 PolarHBondContact O-N 2.99Å |
| 2218 | V | 87.4 | Confident | 83.8 | Confident | 24.5 Ų | 24.5 | 45.1 Ų | 45.1 | 15% | 0.148 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.9 | -44.3 | 176.2 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | L2151 T2214 N2215 S2222 V2261 | L2151-V2218 HydrophobicContact CD2-CG2 3.87Å; T2214-V2218 VanDerWaalsContact O-CG2 3.3Å; T2214-V2218 WeakPolarHBondContact O-CG2 3.38Å; T2214-V2218 PolarHBondContact O-N 3.39Å; N2215-V2218 PolarHBondContact O-N 3.05Å; V2218-S2222 VanDerWaalsContact O-CB 3.32Å; V2218-S2222 WeakPolarHBondContact O-CB 3.34Å; V2218-S2222 PolarHBondContact O-N 3.28Å; V2218-V2261 HydrophobicContact CG1-CG2 3.76Å |
| 2219 | T | 88.6 | Confident | 85.3 | Confident | 70.5 Ų | 70.5 | 41.8 Ų | 41.8 | 43% | 0.433 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.6 | -38.6 | 177.4 | 56.5 | 0 | 0 | 0 | 0 | 112.3 | N2215 Q2216 C2217 S2222 S2223 | N2215-T2219 WeakPolarHBondContact O-CG2 3.28Å; N2215-T2219 PolarHBondContact O-N 3.35Å; N2215-T2219 VanDerWaalsContact O-N 3.08Å; N2215-T2219 PolarHBondContact O-OG1 3.27Å; Q2216-T2219 WeakPolarHBondContact CA-OG1 3.21Å; Q2216-T2219 PolarHBondContact O-N 3.15Å; Q2216-T2219 PolarHBondContact O-OG1 3.04Å; C2217-T2219 VanDerWaalsContact C-N 3.35Å; C2217-T2219 PolarHBondContact O-N 3Å; T2219-S2222 PolarHBondContact O-N 2.94Å; T2219-S2223 WeakPolarHBondContact O-CB 3.31Å; T2219-S2223 PolarHBondContact O-N 3.31Å; T2219-S2223 PolarHBondContact O-OG 3.23Å |
| 2220 | N | 91 | Very high | 86.8 | Confident | 26 Ų | 26 | 38.5 Ų | 38.5 | 14% | 0.139 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.1 | -47.4 | 175.4 | -72.6 | -10.8 | 0 | 0 | 0 | 111.8 | L2112 F2143 Q2216 C2217 S2222 S2223 A2224 | L2112-N2220 HydrophobicContact CD1-CB 4.5Å; L2112-N2220 HydrophobicContact CD2-CB 4.05Å; F2143-N2220 HydrophobicContact CE1-CB 4.15Å; F2143-N2220 HydrophobicContact CZ-CB 3.94Å; Q2216-N2220 PolarHBondContact NE2-OD1 3.1Å; Q2216-N2220 VanDerWaalsContact O-CB 3.32Å; Q2216-N2220 WeakPolarHBondContact O-CB 3.39Å; Q2216-N2220 PolarHBondContact O-N 2.92Å; Q2216-N2220 PolarHBondContact O-ND2 2.94Å; Q2216-N2220 PolarHBondContact O-OD1 3.3Å; C2217-N2220 PolarHBondContact O-N 3.49Å; N2220-S2222 PolarHBondContact O-N 3.17Å; N2220-S2223 PolarHBondContact O-N 3.29Å; N2220-S2223 PolarHBondContact O-OG 2.99Å; N2220-A2224 WeakPolarHBondContact O-CB 3.38Å; N2220-A2224 PolarHBondContact O-N 3.01Å |
| 2221 | V | 92.6 | Very high | 88.4 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.5 | -45.9 | 176.6 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | L2144 E2147 L2151 C2217 S2223 A2224 L2225 V2261 | L2144-V2221 HydrophobicContact CD2-CB 4.39Å; L2144-V2221 HydrophobicContact CD2-CG1 3.88Å; L2144-V2221 HydrophobicContact CD2-CG2 4.47Å; E2147-V2221 HydrophobicContact CB-CG2 3.7Å; E2147-V2221 HydrophobicContact CG-CG2 4.39Å; L2151-V2221 HydrophobicContact CD1-CG2 4.23Å; C2217-V2221 WeakPolarHBondContact O-CB 3.48Å; C2217-V2221 VanDerWaalsContact O-CG2 3.31Å; C2217-V2221 WeakPolarHBondContact O-CG2 3.42Å; C2217-V2221 PolarHBondContact O-N 2.99Å; V2221-S2223 VanDerWaalsContact C-N 3.34Å; V2221-S2223 PolarHBondContact O-N 3.2Å; V2221-A2224 PolarHBondContact O-N 3.29Å; V2221-L2225 HydrophobicContact CG1-CD1 3.9Å; V2221-L2225 HydrophobicContact CG1-CG 4.46Å; V2221-L2225 WeakPolarHBondContact O-CG 3.46Å; V2221-L2225 PolarHBondContact O-N 3.17Å; V2221-V2261 HydrophobicContact CG1-CG1 3.73Å |
| 2222 | S | 93.8 | Very high | 89.5 | Confident | 23.5 Ų | 23.5 | 32.4 Ų | 32.4 | 16% | 0.164 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.7 | -46.2 | 176.3 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | V2218 T2219 N2220 A2224 L2225 E2226 | V2218-S2222 VanDerWaalsContact O-CB 3.32Å; V2218-S2222 WeakPolarHBondContact O-CB 3.34Å; V2218-S2222 PolarHBondContact O-N 3.28Å; T2219-S2222 PolarHBondContact O-N 2.94Å; N2220-S2222 PolarHBondContact O-N 3.17Å; S2222-A2224 PolarHBondContact O-N 3.14Å; S2222-L2225 PolarHBondContact O-N 3.29Å; S2222-E2226 WeakPolarHBondContact O-CB 3.41Å; S2222-E2226 PolarHBondContact O-N 3.15Å |
| 2223 | S | 93.7 | Very high | 90.4 | Very high | 32.5 Ų | 32.5 | 34.2 Ų | 34.2 | 23% | 0.227 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.4 | -37.6 | 178.5 | 3.6 | 0 | 0 | 0 | 0 | 112.8 | L2112 V2119 N2123 T2219 N2220 V2221 E2226 A2227 | L2112-S2223 WeakPolarHBondContact CD2-OG 3.29Å; V2119-S2223 WeakPolarHBondContact CG1-O 3.47Å; N2123-S2223 PolarHBondContact ND2-O 3.41Å; T2219-S2223 WeakPolarHBondContact O-CB 3.31Å; T2219-S2223 PolarHBondContact O-N 3.31Å; T2219-S2223 PolarHBondContact O-OG 3.23Å; N2220-S2223 PolarHBondContact O-N 3.29Å; N2220-S2223 PolarHBondContact O-OG 2.99Å; V2221-S2223 VanDerWaalsContact C-N 3.34Å; V2221-S2223 PolarHBondContact O-N 3.2Å; S2223-E2226 PolarHBondContact O-N 3.39Å; S2223-A2227 WeakPolarHBondContact O-CB 3.44Å; S2223-A2227 PolarHBondContact O-N 3.21Å |
| 2224 | A | 96.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.3 | -40.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I2114 L2140 F2143 L2144 N2220 V2221 S2222 A2227 L2228 | I2114-A2224 HydrophobicContact CD1-CB 4.01Å; L2140-A2224 HydrophobicContact CD2-CB 3.96Å; F2143-A2224 HydrophobicContact CD1-CB 3.93Å; F2143-A2224 HydrophobicContact CE1-CB 4.1Å; L2144-A2224 HydrophobicContact CD2-CB 3.89Å; L2144-A2224 HydrophobicContact CG-CB 4.26Å; N2220-A2224 WeakPolarHBondContact O-CB 3.38Å; N2220-A2224 PolarHBondContact O-N 3.01Å; V2221-A2224 PolarHBondContact O-N 3.29Å; S2222-A2224 PolarHBondContact O-N 3.14Å; A2224-A2227 PolarHBondContact O-N 3.07Å; A2224-L2228 WeakPolarHBondContact O-CB 3.16Å; A2224-L2228 PolarHBondContact O-N 3.11Å |
| 2225 | L | 97.3 | Very high | 92 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.2 | -38 | 174.9 | -70.9 | 167.2 | 0 | 0 | 0 | 112.4 | L2144 V2221 S2222 A2227 L2228 T2229 L2249 I2252 V2261 R2264 A2265 V2268 | L2144-L2225 HydrophobicContact CD1-CD2 3.78Å; L2144-L2225 HydrophobicContact CD1-CG 4.36Å; L2144-L2225 HydrophobicContact CD2-CD2 4.23Å; L2144-L2225 HydrophobicContact CD2-CG 4.02Å; V2221-L2225 HydrophobicContact CG1-CD1 3.9Å; V2221-L2225 HydrophobicContact CG1-CG 4.46Å; V2221-L2225 WeakPolarHBondContact O-CG 3.46Å; V2221-L2225 PolarHBondContact O-N 3.17Å; S2222-L2225 PolarHBondContact O-N 3.29Å; L2225-A2227 VanDerWaalsContact C-N 3.34Å; L2225-L2228 PolarHBondContact O-N 3.25Å; L2225-T2229 WeakPolarHBondContact O-CB 3.37Å; L2225-T2229 PolarHBondContact O-N 3.22Å; L2225-T2229 PolarHBondContact O-OG1 3.08Å; L2225-L2249 HydrophobicContact CD2-CD2 3.9Å; L2225-I2252 HydrophobicContact CD1-CD1 4.46Å; L2225-I2252 HydrophobicContact CD1-CG2 4.11Å; L2225-I2252 HydrophobicContact CD2-CD1 4.25Å; L2225-V2261 HydrophobicContact CD1-CG1 3.91Å; L2225-R2264 HydrophobicContact CB-CB 3.59Å; L2225-R2264 HydrophobicContact CD1-CB 4.04Å; L2225-R2264 HydrophobicContact CG-CB 4.48Å; L2225-A2265 HydrophobicContact CD1-CB 4.15Å; L2225-V2268 HydrophobicContact CB-CG2 4.41Å; L2225-V2268 HydrophobicContact CD2-CG2 4.14Å; L2225-V2268 WeakPolarHBondContact O-CG2 3.42Å |
| 2226 | E | 96.5 | Very high | 92.3 | Very high | 50.5 Ų | 50.5 | 37 Ų | 37 | 24% | 0.236 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 171.5 | 179.1 | 172.6 | -139.9 | 0 | 0 | 111.2 | N2123 S2222 S2223 T2229 N2230 R2264 | N2123-E2226 HydrophobicContact CB-CG 4.27Å; N2123-E2226 PolarHBondContact ND2-OE2 3.33Å; S2222-E2226 WeakPolarHBondContact O-CB 3.41Å; S2222-E2226 PolarHBondContact O-N 3.15Å; S2223-E2226 PolarHBondContact O-N 3.39Å; E2226-T2229 WeakPolarHBondContact O-CB 3.34Å; E2226-T2229 PolarHBondContact O-N 3.18Å; E2226-N2230 WeakPolarHBondContact O-CB 3.43Å; E2226-N2230 VanDerWaalsContact O-CG 3.25Å; E2226-N2230 PolarHBondContact O-N 3.27Å; E2226-N2230 PolarHBondContact O-ND2 3.22Å; E2226-N2230 VanDerWaalsContact O-ND2 3.16Å; E2226-R2264 VanDerWaalsContact CD-CZ 3.49Å; E2226-R2264 IonicContact OE1-CZ 3.19Å; E2226-R2264 VanDerWaalsContact OE1-CZ 3.3Å; E2226-R2264 IonicContact OE1-NH1 3.62Å; E2226-R2264 PolarHBondContact OE1-NH1 3.39Å; E2226-R2264 IonicContact OE1-NH2 3.5Å; E2226-R2264 PolarHBondContact OE1-NH2 3.24Å; E2226-R2264 IonicContact OE2-CZ 3.58Å; E2226-R2264 IonicContact OE2-NH2 3.27Å; E2226-R2264 PolarHBondContact OE2-NH2 2.97Å |
| 2227 | A | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V2119 Y2122 N2123 F2136 L2140 S2223 A2224 L2225 T2229 N2230 V2231 | V2119-A2227 HydrophobicContact CG1-CB 3.92Å; Y2122-A2227 HydrophobicContact CD1-CB 4.13Å; N2123-A2227 WeakPolarHBondContact OD1-CA 3.46Å; N2123-A2227 VanDerWaalsContact OD1-CB 3.29Å; N2123-A2227 WeakPolarHBondContact OD1-CB 3.32Å; N2123-A2227 PolarHBondContact OD1-N 3.24Å; N2123-A2227 VanDerWaalsContact OD1-N 3.11Å; F2136-A2227 HydrophobicContact CE1-CB 4.37Å; F2136-A2227 HydrophobicContact CZ-CB 4.18Å; L2140-A2227 HydrophobicContact CD1-CB 4.22Å; L2140-A2227 HydrophobicContact CD2-CB 4.13Å; S2223-A2227 WeakPolarHBondContact O-CB 3.44Å; S2223-A2227 PolarHBondContact O-N 3.21Å; A2224-A2227 PolarHBondContact O-N 3.07Å; L2225-A2227 VanDerWaalsContact C-N 3.34Å; A2227-T2229 VanDerWaalsContact C-N 3.31Å; A2227-T2229 PolarHBondContact O-N 3.24Å; A2227-N2230 PolarHBondContact O-N 2.94Å; A2227-N2230 VanDerWaalsContact O-N 3.09Å; A2227-V2231 VanDerWaalsContact O-CG2 3.32Å; A2227-V2231 WeakPolarHBondContact O-CG2 3.46Å; A2227-V2231 PolarHBondContact O-N 3.18Å |
| 2228 | L | 97 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.9 | -45.9 | 176.3 | -177 | 58.7 | 0 | 0 | 0 | 111.4 | I2137 L2140 F2141 L2144 A2224 L2225 N2230 V2231 I2232 L2249 V2268 | I2137-L2228 HydrophobicContact CB-CD1 4.47Å; I2137-L2228 HydrophobicContact CG1-CD1 4.2Å; I2137-L2228 HydrophobicContact CG2-CD1 3.9Å; L2140-L2228 HydrophobicContact CD1-CB 4.11Å; L2140-L2228 HydrophobicContact CD1-CD1 4.33Å; F2141-L2228 HydrophobicContact CD1-CD2 4.4Å; F2141-L2228 HydrophobicContact CE1-CD2 3.69Å; F2141-L2228 HydrophobicContact CE2-CD1 4.2Å; F2141-L2228 HydrophobicContact CE2-CD2 4.41Å; F2141-L2228 HydrophobicContact CZ-CD1 4.25Å; F2141-L2228 HydrophobicContact CZ-CD2 3.7Å; L2144-L2228 HydrophobicContact CD1-CD2 4.29Å; A2224-L2228 WeakPolarHBondContact O-CB 3.16Å; A2224-L2228 PolarHBondContact O-N 3.11Å; L2225-L2228 PolarHBondContact O-N 3.25Å; L2228-N2230 VanDerWaalsContact C-N 3.35Å; L2228-N2230 PolarHBondContact O-N 2.92Å; L2228-V2231 PolarHBondContact O-N 2.98Å; L2228-I2232 HydrophobicContact CD1-CD1 3.81Å; L2228-I2232 HydrophobicContact CD1-CG1 4.39Å; L2228-I2232 HydrophobicContact CG-CD1 3.89Å; L2228-I2232 WeakPolarHBondContact O-CD1 3.44Å; L2228-I2232 VanDerWaalsContact O-CG1 3.23Å; L2228-I2232 WeakPolarHBondContact O-CG1 3.27Å; L2228-I2232 PolarHBondContact O-N 3.3Å; L2228-I2232 VanDerWaalsContact O-N 3.1Å; L2228-L2249 HydrophobicContact CD2-CD2 4.38Å; L2228-V2268 HydrophobicContact CB-CG2 4.18Å; L2228-V2268 HydrophobicContact CD2-CG1 3.74Å; L2228-V2268 HydrophobicContact CD2-CG2 4.02Å; L2228-V2268 HydrophobicContact CG-CG1 4.04Å; L2228-V2268 HydrophobicContact CG-CG2 4.12Å |
| 2229 | T | 95.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.4 | -47.3 | 174.6 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | L2225 E2226 A2227 I2232 R2233 D2267 V2268 A2271 | L2225-T2229 WeakPolarHBondContact O-CB 3.37Å; L2225-T2229 PolarHBondContact O-N 3.22Å; L2225-T2229 PolarHBondContact O-OG1 3.08Å; E2226-T2229 WeakPolarHBondContact O-CB 3.34Å; E2226-T2229 PolarHBondContact O-N 3.18Å; A2227-T2229 VanDerWaalsContact C-N 3.31Å; A2227-T2229 PolarHBondContact O-N 3.24Å; T2229-I2232 PolarHBondContact O-N 3.07Å; T2229-R2233 HydrophobicContact CG2-CG 4.34Å; T2229-R2233 VanDerWaalsContact CG2-CZ 3.46Å; T2229-R2233 WeakPolarHBondContact O-CB 3.28Å; T2229-R2233 WeakPolarHBondContact O-CG 3.38Å; T2229-R2233 PolarHBondContact O-N 3.33Å; T2229-D2267 HydrophobicContact CG2-CB 4Å; T2229-V2268 WeakPolarHBondContact OG1-CG2 3.42Å; T2229-V2268 PolarHBondContact OG1-N 3.39Å; T2229-A2271 HydrophobicContact CG2-CB 4.48Å |
| 2230 | N | 94.9 | Very high | 93.3 | Very high | 21.5 Ų | 21.5 | 33.9 Ų | 33.9 | 12% | 0.115 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.9 | -44.7 | -178.2 | -75.2 | -32.4 | 0 | 0 | 0 | 112.2 | Y2122 N2123 P2126 E2226 A2227 L2228 I2232 R2233 H2234 | Y2122-N2230 HydrophobicContact CD1-CB 4.49Å; Y2122-N2230 HydrophobicContact CE1-CB 3.81Å; N2123-N2230 PolarHBondContact OD1-ND2 3.42Å; P2126-N2230 HydrophobicContact CB-CB 3.74Å; E2226-N2230 WeakPolarHBondContact O-CB 3.43Å; E2226-N2230 VanDerWaalsContact O-CG 3.25Å; E2226-N2230 PolarHBondContact O-N 3.27Å; E2226-N2230 PolarHBondContact O-ND2 3.22Å; E2226-N2230 VanDerWaalsContact O-ND2 3.16Å; A2227-N2230 PolarHBondContact O-N 2.94Å; A2227-N2230 VanDerWaalsContact O-N 3.09Å; L2228-N2230 VanDerWaalsContact C-N 3.35Å; L2228-N2230 PolarHBondContact O-N 2.92Å; N2230-I2232 PolarHBondContact O-N 3.3Å; N2230-R2233 PolarHBondContact O-N 3.38Å; N2230-H2234 PolarHBondContact O-N 3.1Å; N2230-H2234 VanDerWaalsContact O-N 3.14Å; N2230-H2234 PolarHBondContact O-ND1 3.32Å |
| 2231 | V | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.2 | -46.2 | 177.8 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | Y2122 L2130 P2133 F2136 I2137 A2227 L2228 H2234 N2235 L2238 | Y2122-V2231 HydrophobicContact CD1-CG2 4.36Å; Y2122-V2231 HydrophobicContact CE1-CB 4.43Å; Y2122-V2231 HydrophobicContact CE1-CG2 3.38Å; Y2122-V2231 VanDerWaalsContact OH-CA 3.3Å; Y2122-V2231 WeakPolarHBondContact OH-CA 3.38Å; Y2122-V2231 WeakPolarHBondContact OH-CG2 3.4Å; Y2122-V2231 PolarHBondContact OH-N 2.85Å; L2130-V2231 HydrophobicContact CD1-CG2 4.22Å; P2133-V2231 HydrophobicContact CB-CG1 4.02Å; F2136-V2231 HydrophobicContact CD1-CG2 3.41Å; F2136-V2231 VanDerWaalsContact CD1-CG2 3.41Å; F2136-V2231 HydrophobicContact CE1-CG2 3.49Å; F2136-V2231 VanDerWaalsContact CE1-CG2 3.49Å; I2137-V2231 HydrophobicContact CD1-CG1 3.85Å; I2137-V2231 HydrophobicContact CG1-CB 4.36Å; I2137-V2231 HydrophobicContact CG1-CG1 3.8Å; A2227-V2231 VanDerWaalsContact O-CG2 3.32Å; A2227-V2231 WeakPolarHBondContact O-CG2 3.46Å; A2227-V2231 PolarHBondContact O-N 3.18Å; L2228-V2231 PolarHBondContact O-N 2.98Å; V2231-H2234 PolarHBondContact O-N 2.88Å; V2231-N2235 WeakPolarHBondContact O-CB 3.39Å; V2231-N2235 PolarHBondContact O-N 3.06Å; V2231-N2235 VanDerWaalsContact O-N 3.13Å; V2231-N2235 PolarHBondContact O-ND2 3.39Å; V2231-L2238 HydrophobicContact CG1-CD1 4.42Å |
| 2232 | I | 93.7 | Very high | 93.4 | Very high | 8 Ų | 8 | 35.5 Ų | 35.5 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.8 | -46.4 | -178.7 | -67.1 | 164.7 | 0 | 0 | 0 | 110.8 | I2137 L2228 T2229 N2230 H2234 N2235 E2239 C2242 V2268 A2271 V2272 | I2137-I2232 HydrophobicContact CD1-CG1 4.46Å; L2228-I2232 HydrophobicContact CD1-CD1 3.81Å; L2228-I2232 HydrophobicContact CD1-CG1 4.39Å; L2228-I2232 HydrophobicContact CG-CD1 3.89Å; L2228-I2232 WeakPolarHBondContact O-CD1 3.44Å; L2228-I2232 VanDerWaalsContact O-CG1 3.23Å; L2228-I2232 WeakPolarHBondContact O-CG1 3.27Å; L2228-I2232 PolarHBondContact O-N 3.3Å; L2228-I2232 VanDerWaalsContact O-N 3.1Å; T2229-I2232 PolarHBondContact O-N 3.07Å; N2230-I2232 PolarHBondContact O-N 3.3Å; I2232-H2234 VanDerWaalsContact C-N 3.3Å; I2232-H2234 PolarHBondContact O-N 3.23Å; I2232-N2235 PolarHBondContact O-N 2.94Å; I2232-E2239 HydrophobicContact CG2-CB 3.87Å; I2232-C2242 VanDerWaalsContact CD1-SG 3.53Å; I2232-V2268 HydrophobicContact CD1-CG1 4.26Å; I2232-A2271 HydrophobicContact CG2-CB 4.01Å; I2232-V2272 HydrophobicContact CD1-CG1 3.8Å; I2232-V2272 HydrophobicContact CG2-CG1 4.15Å |
| 2233 | R | 92.4 | Very high | 93.3 | Very high | 124 Ų | 124 | 37.5 Ų | 37.5 | 47% | 0.468 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.9 | -31.8 | -178.1 | -73.5 | -177.9 | -176.8 | 171.3 | 4.6 | 113.3 | T2229 N2230 D2267 A2271 | T2229-R2233 HydrophobicContact CG2-CG 4.34Å; T2229-R2233 VanDerWaalsContact CG2-CZ 3.46Å; T2229-R2233 WeakPolarHBondContact O-CB 3.28Å; T2229-R2233 WeakPolarHBondContact O-CG 3.38Å; T2229-R2233 PolarHBondContact O-N 3.33Å; N2230-R2233 PolarHBondContact O-N 3.38Å; R2233-D2267 IonicContact NH2-OD1 3.48Å; R2233-D2267 PolarHBondContact NH2-OD1 2.92Å; R2233-D2267 VanDerWaalsContact NH2-OD1 3.08Å; R2233-A2271 HydrophobicContact CG-CB 3.92Å |
| 2234 | H | 90.4 | Very high | 93.1 | Very high | 93 Ų | 93 | 38.4 Ų | 38.4 | 43% | 0.431 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -91.9 | -10.9 | -178.5 | -67 | 82 | 0 | 0 | 0 | 113.8 | N2230 V2231 I2232 | N2230-H2234 PolarHBondContact O-N 3.1Å; N2230-H2234 VanDerWaalsContact O-N 3.14Å; N2230-H2234 PolarHBondContact O-ND1 3.32Å; V2231-H2234 PolarHBondContact O-N 2.88Å; I2232-H2234 VanDerWaalsContact C-N 3.3Å; I2232-H2234 PolarHBondContact O-N 3.23Å |
| 2235 | N | 90.2 | Very high | 93 | Very high | 44.5 Ų | 44.5 | 41.5 Ų | 41.5 | 24% | 0.238 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -126.8 | 99.9 | -178.5 | -62.1 | -84.4 | 0 | 0 | 0 | 111.4 | V2231 I2232 G2237 L2238 | V2231-N2235 WeakPolarHBondContact O-CB 3.39Å; V2231-N2235 PolarHBondContact O-N 3.06Å; V2231-N2235 VanDerWaalsContact O-N 3.13Å; V2231-N2235 PolarHBondContact O-ND2 3.39Å; I2232-N2235 PolarHBondContact O-N 2.94Å; N2235-G2237 PolarHBondContact O-N 3.2Å; N2235-L2238 HydrophobicContact CB-CB 4.32Å; N2235-L2238 HydrophobicContact CB-CD1 3.38Å; N2235-L2238 HydrophobicContact CB-CG 3.73Å; N2235-L2238 PolarHBondContact O-N 3.31Å |
| 2236 | T | 87.7 | Confident | 92.8 | Very high | 145 Ų | 145 | 41.5 Ų | 41.5 | 89% | 0.89 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 130.6 | -179.8 | 57.1 | 0 | 0 | 0 | 0 | 112.1 | ||
| 2237 | G | 89.2 | Confident | 92.6 | Very high | 34.5 Ų | 34.5 | 42.3 Ų | 42.3 | 36% | 0.356 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | -6.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N2235 E2239 | N2235-G2237 PolarHBondContact O-N 3.2Å; G2237-E2239 VanDerWaalsContact C-N 3.35Å; G2237-E2239 WeakPolarHBondContact CA-OE1 3.47Å; G2237-E2239 VanDerWaalsContact CA-OE2 3.29Å; G2237-E2239 WeakPolarHBondContact CA-OE2 3.41Å; G2237-E2239 PolarHBondContact N-OE1 3.09Å; G2237-E2239 PolarHBondContact N-OE2 2.86Å |
| 2238 | L | 91.9 | Very high | 92.4 | Very high | 14.5 Ų | 14.5 | 43.5 Ų | 43.5 | 8% | 0.076 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -82.9 | -13.1 | 178.2 | -64.1 | -165.5 | 0 | 0 | 0 | 113.6 | P2133 K2134 I2137 V2231 N2235 I2240 Q2241 | P2133-L2238 HydrophobicContact CB-CD1 3.58Å; P2133-L2238 HydrophobicContact CG-CD1 3.69Å; K2134-L2238 HydrophobicContact CD-CD2 4.15Å; K2134-L2238 HydrophobicContact CG-CD1 4.45Å; K2134-L2238 HydrophobicContact CG-CD2 3.5Å; K2134-L2238 VanDerWaalsContact CG-CD2 3.5Å; I2137-L2238 HydrophobicContact CD1-CB 3.71Å; I2137-L2238 HydrophobicContact CD1-CD1 4.03Å; I2137-L2238 HydrophobicContact CD1-CG 4.47Å; V2231-L2238 HydrophobicContact CG1-CD1 4.42Å; N2235-L2238 HydrophobicContact CB-CB 4.32Å; N2235-L2238 HydrophobicContact CB-CD1 3.38Å; N2235-L2238 HydrophobicContact CB-CG 3.73Å; N2235-L2238 PolarHBondContact O-N 3.31Å; L2238-I2240 PolarHBondContact O-N 3.09Å; L2238-I2240 VanDerWaalsContact O-N 3.11Å; L2238-Q2241 VanDerWaalsContact O-CB 3.3Å; L2238-Q2241 WeakPolarHBondContact O-CB 3.27Å; L2238-Q2241 WeakPolarHBondContact O-CG 3.41Å; L2238-Q2241 PolarHBondContact O-N 3.4Å |
| 2239 | E | 91.7 | Very high | 92.3 | Very high | 23.5 Ų | 23.5 | 43.5 Ų | 43.5 | 11% | 0.11 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -56.8 | -23.8 | 172.6 | 45.6 | -10.1 | -170.3 | 0 | 0 | 113.4 | I2232 G2237 Q2241 C2242 V2272 N2275 C2278 | I2232-E2239 HydrophobicContact CG2-CB 3.87Å; G2237-E2239 VanDerWaalsContact C-N 3.35Å; G2237-E2239 WeakPolarHBondContact CA-OE1 3.47Å; G2237-E2239 VanDerWaalsContact CA-OE2 3.29Å; G2237-E2239 WeakPolarHBondContact CA-OE2 3.41Å; G2237-E2239 PolarHBondContact N-OE1 3.09Å; G2237-E2239 PolarHBondContact N-OE2 2.86Å; E2239-Q2241 PolarHBondContact O-N 3.25Å; E2239-Q2241 VanDerWaalsContact O-N 3.17Å; E2239-C2242 VanDerWaalsContact O-CB 3.27Å; E2239-C2242 WeakPolarHBondContact O-CB 3.32Å; E2239-C2242 PolarHBondContact O-N 3.17Å; E2239-V2272 HydrophobicContact CB-CB 4.07Å; E2239-V2272 HydrophobicContact CB-CG1 3.81Å; E2239-N2275 HydrophobicContact CG-CB 3.8Å; E2239-N2275 WeakPolarHBondContact CG-ND2 3.36Å; E2239-N2275 PolarHBondContact OE1-ND2 3.21Å; E2239-N2275 WeakPolarHBondContact OE2-CB 3.44Å; E2239-N2275 PolarHBondContact OE2-ND2 3.47Å; E2239-C2278 PolarHBondContact O-SG 2.95Å; E2239-C2278 VanDerWaalsContact O-SG 3.38Å |
| 2240 | I | 92.1 | Very high | 92.1 | Very high | 64 Ų | 64 | 43.5 Ų | 43.5 | 33% | 0.328 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -62.2 | -25.7 | 175.7 | -56.5 | 177.8 | 0 | 0 | 0 | 110.7 | L2238 C2242 I2243 | L2238-I2240 PolarHBondContact O-N 3.09Å; L2238-I2240 VanDerWaalsContact O-N 3.11Å; I2240-C2242 PolarHBondContact O-N 3.27Å; I2240-I2243 HydrophobicContact CB-CD1 4.49Å; I2240-I2243 HydrophobicContact CG2-CD1 3.74Å; I2240-I2243 WeakPolarHBondContact O-CB 3.43Å; I2240-I2243 VanDerWaalsContact O-CG1 3.3Å; I2240-I2243 WeakPolarHBondContact O-CG1 3.39Å; I2240-I2243 PolarHBondContact O-N 3.05Å |
| 2241 | Q | 92.1 | Very high | 91.9 | Very high | 63.5 Ų | 63.5 | 44.4 Ų | 44.4 | 30% | 0.297 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -68.1 | -11.9 | 175.4 | -57.3 | -54.7 | -58.6 | 0 | 0 | 113 | I2137 L2238 E2239 I2243 H2245 | I2137-Q2241 HydrophobicContact CB-CB 4.43Å; I2137-Q2241 HydrophobicContact CD1-CB 4.36Å; I2137-Q2241 HydrophobicContact CD1-CG 4.41Å; I2137-Q2241 HydrophobicContact CG2-CB 3.72Å; L2238-Q2241 VanDerWaalsContact O-CB 3.3Å; L2238-Q2241 WeakPolarHBondContact O-CB 3.27Å; L2238-Q2241 WeakPolarHBondContact O-CG 3.41Å; L2238-Q2241 PolarHBondContact O-N 3.4Å; E2239-Q2241 PolarHBondContact O-N 3.25Å; E2239-Q2241 VanDerWaalsContact O-N 3.17Å; Q2241-I2243 VanDerWaalsContact C-N 3.34Å; Q2241-H2245 PolarHBondContact O-CD2 2.81Å |
| 2242 | C | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -82.7 | -10.3 | 174.7 | -57.9 | 0 | 0 | 0 | 0 | 113.5 | F2141 I2232 E2239 I2240 G2244 H2245 F2246 V2272 | F2141-C2242 HydrophobicContact CE2-CB 4.32Å; F2141-C2242 HydrophobicContact CZ-CB 4.01Å; I2232-C2242 VanDerWaalsContact CD1-SG 3.53Å; E2239-C2242 VanDerWaalsContact O-CB 3.27Å; E2239-C2242 WeakPolarHBondContact O-CB 3.32Å; E2239-C2242 PolarHBondContact O-N 3.17Å; I2240-C2242 PolarHBondContact O-N 3.27Å; C2242-G2244 PolarHBondContact O-N 3.03Å; C2242-H2245 WeakPolarHBondContact O-CB 3.44Å; C2242-H2245 PolarHBondContact O-N 3.18Å; C2242-F2246 HydrophobicContact CB-CE1 4.25Å; C2242-F2246 HydrophobicContact CB-CZ 4.04Å; C2242-V2272 HydrophobicContact CB-CG1 4.2Å |
| 2243 | I | 91.6 | Very high | 91.6 | Very high | 64.5 Ų | 64.5 | 44.1 Ų | 44.1 | 33% | 0.331 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 131.7 | 176.5 | -65.5 | 176.5 | 0 | 0 | 0 | 109.4 | I2240 Q2241 H2245 Q2277 D2281 | I2240-I2243 HydrophobicContact CB-CD1 4.49Å; I2240-I2243 HydrophobicContact CG2-CD1 3.74Å; I2240-I2243 WeakPolarHBondContact O-CB 3.43Å; I2240-I2243 VanDerWaalsContact O-CG1 3.3Å; I2240-I2243 WeakPolarHBondContact O-CG1 3.39Å; I2240-I2243 PolarHBondContact O-N 3.05Å; Q2241-I2243 VanDerWaalsContact C-N 3.34Å; I2243-H2245 VanDerWaalsContact C-N 3.28Å; I2243-H2245 PolarHBondContact O-N 3.47Å; I2243-Q2277 HydrophobicContact CD1-CB 4.2Å; I2243-D2281 WeakPolarHBondContact CA-OD2 3.39Å; I2243-D2281 HydrophobicContact CG2-CB 4.31Å |
| 2244 | G | 90.6 | Very high | 91.3 | Very high | 52 Ų | 52 | 40.7 Ų | 40.7 | 54% | 0.536 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | -12.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | C2242 D2281 | C2242-G2244 PolarHBondContact O-N 3.03Å; G2244-D2281 PolarHBondContact N-OD2 3.06Å |
| 2245 | H | 93.7 | Very high | 91.1 | Very high | 64.5 Ų | 64.5 | 37.4 Ų | 37.4 | 30% | 0.299 | 23% | 0.226 | S | C | . | . | trans | -103.7 | 0.5 | -179.8 | -63.4 | -76.4 | 0 | 0 | 0 | 114 | F2141 Q2241 C2242 I2243 L2248 L2249 | F2141-H2245 HydrophobicContact CD1-CB 3.75Å; F2141-H2245 AromaticContact CD1-CG 3.82Å; F2141-H2245 AromaticContact CD1-ND1 3.97Å; F2141-H2245 HydrophobicContact CD2-CB 4.36Å; F2141-H2245 AromaticContact CD2-CD2 3.72Å; F2141-H2245 AromaticContact CD2-CG 3.89Å; F2141-H2245 HydrophobicContact CE1-CB 3.5Å; F2141-H2245 VanDerWaalsContact CE1-CB 3.48Å; F2141-H2245 HydrophobicContact CE2-CB 4.15Å; F2141-H2245 AromaticContact CE2-CD2 3.92Å; F2141-H2245 HydrophobicContact CG-CB 4.18Å; F2141-H2245 AromaticContact CG-CD2 3.96Å; F2141-H2245 AromaticContact CG-CG 3.75Å; F2141-H2245 AromaticContact CG-ND1 3.82Å; F2141-H2245 HydrophobicContact CZ-CB 3.71Å; Q2241-H2245 PolarHBondContact O-CD2 2.81Å; C2242-H2245 WeakPolarHBondContact O-CB 3.44Å; C2242-H2245 PolarHBondContact O-N 3.18Å; I2243-H2245 VanDerWaalsContact C-N 3.28Å; I2243-H2245 PolarHBondContact O-N 3.47Å; H2245-L2248 WeakPolarHBondContact O-CB 3.31Å; H2245-L2248 PolarHBondContact O-N 3.16Å; H2245-L2248 VanDerWaalsContact O-N 3.12Å; H2245-L2249 PolarHBondContact O-N 2.98Å; H2245-L2249 VanDerWaalsContact O-N 3.15Å | ||
| 2246 | F | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.3 | -38.8 | 175.3 | -65.7 | -57.3 | 0 | 0 | 0 | 114.1 | C2242 L2248 L2249 F2250 V2272 C2278 D2281 M2282 | C2242-F2246 HydrophobicContact CB-CE1 4.25Å; C2242-F2246 HydrophobicContact CB-CZ 4.04Å; F2246-L2248 PolarHBondContact O-N 3.23Å; F2246-L2249 HydrophobicContact CD1-CD1 4.04Å; F2246-L2249 HydrophobicContact CE1-CD1 4.22Å; F2246-L2249 PolarHBondContact O-N 3.05Å; F2246-L2249 VanDerWaalsContact O-N 3.12Å; F2246-F2250 HydrophobicContact CB-CD2 4.12Å; F2246-F2250 HydrophobicContact CB-CE2 4.27Å; F2246-F2250 HydrophobicContact CD1-CE2 4.35Å; F2246-F2250 WeakPolarHBondContact O-CB 3.42Å; F2246-F2250 VanDerWaalsContact O-CD2 3.26Å; F2246-F2250 WeakPolarHBondContact O-CD2 3.46Å; F2246-F2250 PolarHBondContact O-N 2.78Å; F2246-V2272 HydrophobicContact CE1-CG2 3.86Å; F2246-V2272 HydrophobicContact CZ-CG2 4.17Å; F2246-C2278 HydrophobicContact CE2-CB 4.28Å; F2246-C2278 HydrophobicContact CZ-CB 3.88Å; F2246-D2281 HydrophobicContact CD2-CB 4.03Å; F2246-D2281 WeakPolarHBondContact CD2-OD2 3.36Å; F2246-D2281 HydrophobicContact CE2-CB 3.98Å; F2246-M2282 HydrophobicContact CD1-CE 3.67Å; F2246-M2282 HydrophobicContact CD1-CG 3.79Å; F2246-M2282 HydrophobicContact CD2-CG 3.79Å; F2246-M2282 HydrophobicContact CE1-CE 3.17Å; F2246-M2282 HydrophobicContact CE1-CG 3.93Å; F2246-M2282 HydrophobicContact CE1-SD 4.41Å; F2246-M2282 HydrophobicContact CE2-CE 4.47Å; F2246-M2282 HydrophobicContact CE2-CG 3.91Å; F2246-M2282 HydrophobicContact CG-CE 4.5Å; F2246-M2282 HydrophobicContact CG-CG 3.76Å; F2246-M2282 HydrophobicContact CZ-CE 3.65Å; F2246-M2282 HydrophobicContact CZ-CG 3.99Å |
| 2247 | P | 91.8 | Very high | 90.5 | Very high | 67.5 Ų | 67.5 | 38.4 Ų | 38.4 | 44% | 0.438 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -54.2 | -38.1 | 173.3 | -28 | 36.7 | 0 | 0 | 0 | 113.7 | S2251 L2287 | P2247-S2251 VanDerWaalsContact O-CB 3.29Å; P2247-S2251 WeakPolarHBondContact O-CB 3.38Å; P2247-S2251 PolarHBondContact O-N 3.07Å; P2247-S2251 PolarHBondContact O-OG 2.9Å; P2247-L2287 HydrophobicContact CB-CD1 4.15Å; P2247-L2287 HydrophobicContact CG-CD1 4.36Å |
| 2248 | L | 92.5 | Very high | 90.4 | Very high | 24 Ų | 24 | 39 Ų | 39 | 13% | 0.126 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.5 | -52.1 | 174.7 | -178.7 | 71.1 | 0 | 0 | 0 | 111.1 | F2141 L2144 T2145 L2148 H2245 F2246 F2250 S2251 I2252 | F2141-L2248 HydrophobicContact CD1-CD2 4.09Å; L2144-L2248 HydrophobicContact CB-CD2 4.02Å; T2145-L2248 WeakPolarHBondContact OG1-CD2 3.48Å; L2148-L2248 HydrophobicContact CB-CD1 4.44Å; L2148-L2248 HydrophobicContact CD2-CD1 3.48Å; L2148-L2248 VanDerWaalsContact CD2-CD1 3.48Å; H2245-L2248 WeakPolarHBondContact O-CB 3.31Å; H2245-L2248 PolarHBondContact O-N 3.16Å; H2245-L2248 VanDerWaalsContact O-N 3.12Å; F2246-L2248 PolarHBondContact O-N 3.23Å; L2248-F2250 VanDerWaalsContact C-N 3.33Å; L2248-F2250 PolarHBondContact O-N 3.28Å; L2248-S2251 PolarHBondContact O-N 3.07Å; L2248-S2251 PolarHBondContact O-OG 3.34Å; L2248-I2252 HydrophobicContact CG-CD1 4.47Å; L2248-I2252 WeakPolarHBondContact O-CG1 3.42Å; L2248-I2252 PolarHBondContact O-N 3.23Å; L2248-I2252 VanDerWaalsContact O-N 3.12Å |
| 2249 | L | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.1 | -41.4 | -179 | -68.7 | 175.2 | 0 | 0 | 0 | 112.6 | F2141 L2225 L2228 H2245 F2246 I2252 L2253 V2268 | F2141-L2249 HydrophobicContact CE1-CD1 4.41Å; F2141-L2249 HydrophobicContact CE1-CD2 4.26Å; F2141-L2249 HydrophobicContact CE1-CG 4.27Å; L2225-L2249 HydrophobicContact CD2-CD2 3.9Å; L2228-L2249 HydrophobicContact CD2-CD2 4.38Å; H2245-L2249 PolarHBondContact O-N 2.98Å; H2245-L2249 VanDerWaalsContact O-N 3.15Å; F2246-L2249 HydrophobicContact CD1-CD1 4.04Å; F2246-L2249 HydrophobicContact CE1-CD1 4.22Å; F2246-L2249 PolarHBondContact O-N 3.05Å; F2246-L2249 VanDerWaalsContact O-N 3.12Å; L2249-I2252 WeakPolarHBondContact O-CB 3.35Å; L2249-I2252 PolarHBondContact O-N 3.3Å; L2249-L2253 PolarHBondContact O-N 3.38Å; L2249-V2268 HydrophobicContact CD1-CG1 3.78Å; L2249-V2268 HydrophobicContact CD2-CB 4.48Å; L2249-V2268 HydrophobicContact CD2-CG1 4.1Å |
| 2250 | F | 92.4 | Very high | 90 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.018 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -71.3 | -35.3 | 177.5 | -81.7 | -96.8 | 0 | 0 | 0 | 112 | F2246 L2248 I2252 L2253 D2254 I2269 M2282 L2287 L2291 | F2246-F2250 HydrophobicContact CB-CD2 4.12Å; F2246-F2250 HydrophobicContact CB-CE2 4.27Å; F2246-F2250 HydrophobicContact CD1-CE2 4.35Å; F2246-F2250 WeakPolarHBondContact O-CB 3.42Å; F2246-F2250 VanDerWaalsContact O-CD2 3.26Å; F2246-F2250 WeakPolarHBondContact O-CD2 3.46Å; F2246-F2250 PolarHBondContact O-N 2.78Å; L2248-F2250 VanDerWaalsContact C-N 3.33Å; L2248-F2250 PolarHBondContact O-N 3.28Å; F2250-I2252 PolarHBondContact O-N 3.08Å; F2250-L2253 HydrophobicContact CD1-CD1 3.97Å; F2250-L2253 HydrophobicContact CE1-CD1 4.34Å; F2250-L2253 HydrophobicContact CG-CD1 4.44Å; F2250-L2253 WeakPolarHBondContact O-CA 3.35Å; F2250-L2253 VanDerWaalsContact O-CB 3.3Å; F2250-L2253 WeakPolarHBondContact O-CB 3.45Å; F2250-L2253 PolarHBondContact O-N 3.17Å; F2250-D2254 PolarHBondContact O-N 3.09Å; F2250-I2269 HydrophobicContact CD2-CD1 4.37Å; F2250-I2269 HydrophobicContact CE2-CD1 4.12Å; F2250-I2269 HydrophobicContact CZ-CD1 4.27Å; F2250-M2282 HydrophobicContact CE2-CG 4.36Å; F2250-L2287 HydrophobicContact CB-CB 3.76Å; F2250-L2287 HydrophobicContact CB-CD1 3.7Å; F2250-L2287 HydrophobicContact CB-CG 4.35Å; F2250-L2287 HydrophobicContact CD1-CB 3.67Å; F2250-L2287 WeakPolarHBondContact CD1-O 3.39Å; F2250-L2287 HydrophobicContact CD2-CB 4.4Å; F2250-L2287 HydrophobicContact CE1-CB 4.34Å; F2250-L2287 WeakPolarHBondContact CE1-O 3.4Å; F2250-L2287 HydrophobicContact CG-CB 3.69Å; F2250-L2287 HydrophobicContact CG-CD1 4.28Å; F2250-L2291 HydrophobicContact CE1-CB 3.87Å |
| 2251 | S | 89.9 | Confident | 90 | Very high | 40.5 Ų | 40.5 | 42.1 Ų | 42.1 | 28% | 0.283 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.4 | -28.3 | 172.8 | 72.4 | 0 | 0 | 0 | 0 | 113.3 | L2148 P2247 L2248 L2253 D2254 | L2148-S2251 VanDerWaalsContact CD2-OG 3.3Å; L2148-S2251 WeakPolarHBondContact CD2-OG 3.31Å; P2247-S2251 VanDerWaalsContact O-CB 3.29Å; P2247-S2251 WeakPolarHBondContact O-CB 3.38Å; P2247-S2251 PolarHBondContact O-N 3.07Å; P2247-S2251 PolarHBondContact O-OG 2.9Å; L2248-S2251 PolarHBondContact O-N 3.07Å; L2248-S2251 PolarHBondContact O-OG 3.34Å; S2251-L2253 VanDerWaalsContact C-N 3.33Å; S2251-D2254 PolarHBondContact O-N 3.22Å |
| 2252 | I | 91.4 | Very high | 90 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.1 | -32.2 | 172.6 | -65.5 | 168 | 0 | 0 | 0 | 110.9 | L2148 L2225 L2248 L2249 F2250 D2254 L2255 V2261 A2265 | L2148-I2252 HydrophobicContact CD1-CG1 4.2Å; L2148-I2252 HydrophobicContact CD2-CG1 4.31Å; L2225-I2252 HydrophobicContact CD1-CD1 4.46Å; L2225-I2252 HydrophobicContact CD1-CG2 4.11Å; L2225-I2252 HydrophobicContact CD2-CD1 4.25Å; L2248-I2252 HydrophobicContact CG-CD1 4.47Å; L2248-I2252 WeakPolarHBondContact O-CG1 3.42Å; L2248-I2252 PolarHBondContact O-N 3.23Å; L2248-I2252 VanDerWaalsContact O-N 3.12Å; L2249-I2252 WeakPolarHBondContact O-CB 3.35Å; L2249-I2252 PolarHBondContact O-N 3.3Å; F2250-I2252 PolarHBondContact O-N 3.08Å; I2252-D2254 PolarHBondContact O-N 3.1Å; I2252-L2255 HydrophobicContact CG2-CD1 4.38Å; I2252-L2255 WeakPolarHBondContact O-CB 3.37Å; I2252-L2255 PolarHBondContact O-N 3.46Å; I2252-V2261 HydrophobicContact CG2-CG1 3.42Å; I2252-V2261 VanDerWaalsContact CG2-CG1 3.42Å; I2252-A2265 HydrophobicContact CB-CB 4.3Å; I2252-A2265 HydrophobicContact CG2-CB 3.82Å |
| 2253 | L | 90.7 | Very high | 90 | Very high | 2.5 Ų | 2.5 | 41.1 Ų | 41.1 | 1% | 0.013 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.7 | -23.2 | 173.8 | -55.7 | -178.6 | 0 | 0 | 0 | 112.3 | L2249 F2250 S2251 L2255 Q2262 A2265 I2269 L2291 L2294 | L2249-L2253 PolarHBondContact O-N 3.38Å; F2250-L2253 HydrophobicContact CD1-CD1 3.97Å; F2250-L2253 HydrophobicContact CE1-CD1 4.34Å; F2250-L2253 HydrophobicContact CG-CD1 4.44Å; F2250-L2253 WeakPolarHBondContact O-CA 3.35Å; F2250-L2253 VanDerWaalsContact O-CB 3.3Å; F2250-L2253 WeakPolarHBondContact O-CB 3.45Å; F2250-L2253 PolarHBondContact O-N 3.17Å; S2251-L2253 VanDerWaalsContact C-N 3.33Å; L2253-L2255 PolarHBondContact O-N 3.25Å; L2253-Q2262 PolarHBondContact O-NE2 3.38Å; L2253-A2265 HydrophobicContact CD2-CB 3.56Å; L2253-A2265 HydrophobicContact CG-CB 4.49Å; L2253-I2269 HydrophobicContact CD1-CD1 3.68Å; L2253-I2269 HydrophobicContact CD2-CD1 4.39Å; L2253-I2269 HydrophobicContact CG-CD1 4.29Å; L2253-L2291 HydrophobicContact CD1-CB 4.09Å; L2253-L2291 HydrophobicContact CD1-CD1 3.82Å; L2253-L2294 HydrophobicContact CB-CD1 4.49Å; L2253-L2294 HydrophobicContact CD1-CD1 4.34Å; L2253-L2294 HydrophobicContact CD2-CD1 4.01Å |
| 2254 | D | 87.4 | Confident | 90.1 | Very high | 52.5 Ų | 52.5 | 41.1 Ų | 41.1 | 28% | 0.281 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 0.5 | 177.4 | -58.9 | -30.9 | 0 | 0 | 0 | 113 | F2250 S2251 I2252 H2256 S2290 H2429 | F2250-D2254 PolarHBondContact O-N 3.09Å; S2251-D2254 PolarHBondContact O-N 3.22Å; I2252-D2254 PolarHBondContact O-N 3.1Å; D2254-H2256 VanDerWaalsContact C-N 3.34Å; D2254-H2256 PolarHBondContact O-CE1 3.33Å; D2254-H2256 PolarHBondContact O-N 2.93Å; D2254-H2256 PolarHBondContact O-ND1 3.38Å; D2254-S2290 WeakPolarHBondContact OD1-CB 3.41Å; D2254-S2290 PolarHBondContact OD1-OG 3.45Å; D2254-H2429 IonicContact OD1-CD2 2.68Å; D2254-H2429 IonicContact OD1-NE2 3.54Å |
| 2255 | L | 86.6 | Confident | 90.3 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 12% | 0.115 | 20% | 0.201 | C | C | . | . | trans | -80.9 | 76.5 | 173.9 | -61.2 | 178.8 | 0 | 0 | 0 | 111.3 | L2148 L2151 I2252 L2253 D2257 H2258 Q2262 | L2148-L2255 HydrophobicContact CD1-CD1 3.95Å; L2151-L2255 HydrophobicContact CD1-CD1 4.11Å; I2252-L2255 HydrophobicContact CG2-CD1 4.38Å; I2252-L2255 WeakPolarHBondContact O-CB 3.37Å; I2252-L2255 PolarHBondContact O-N 3.46Å; L2253-L2255 PolarHBondContact O-N 3.25Å; L2255-D2257 PolarHBondContact O-N 3.24Å; L2255-H2258 HydrophobicContact CB-CB 4.5Å; L2255-H2258 PolarHBondContact O-N 3.2Å; L2255-H2258 VanDerWaalsContact O-N 3.1Å; L2255-Q2262 PolarHBondContact O-NE2 3.33Å | ||
| 2256 | H | 81 | Confident | 90.4 | Very high | 70.5 Ų | 70.5 | 35.6 Ų | 35.6 | 33% | 0.326 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -26.8 | -173.7 | -64.1 | 77.5 | 0 | 0 | 0 | 114.5 | D2254 H2258 M2293 | D2254-H2256 VanDerWaalsContact C-N 3.34Å; D2254-H2256 PolarHBondContact O-CE1 3.33Å; D2254-H2256 PolarHBondContact O-N 2.93Å; D2254-H2256 PolarHBondContact O-ND1 3.38Å; H2256-H2258 VanDerWaalsContact C-N 3.29Å; H2256-H2258 PolarHBondContact O-N 3.24Å; H2256-M2293 WeakPolarHBondContact NE2-CE 3.06Å |
| 2257 | D | 82.3 | Confident | 90.4 | Very high | 140 Ų | 140 | 37.2 Ų | 37.2 | 75% | 0.749 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -5.9 | -179.2 | -58.5 | -51.4 | 0 | 0 | 0 | 113.2 | L2255 P2259 | L2255-D2257 PolarHBondContact O-N 3.24Å; D2257-P2259 WeakPolarHBondContact O-CD 3.39Å |
| 2258 | H | 87.3 | Confident | 90.6 | Very high | 49 Ų | 49 | 34 Ų | 34 | 23% | 0.227 | 18% | 0.175 | C | C | . | . | trans | -127.3 | 70.6 | -173.2 | -57.9 | -40 | 0 | 0 | 0 | 112.5 | L2255 H2256 E2260 V2261 Q2262 | L2255-H2258 HydrophobicContact CB-CB 4.5Å; L2255-H2258 PolarHBondContact O-N 3.2Å; L2255-H2258 VanDerWaalsContact O-N 3.1Å; H2256-H2258 VanDerWaalsContact C-N 3.29Å; H2256-H2258 PolarHBondContact O-N 3.24Å; H2258-E2260 VanDerWaalsContact C-N 3.3Å; H2258-E2260 PolarHBondContact O-N 3.25Å; H2258-V2261 HydrophobicContact CB-CB 4.1Å; H2258-V2261 HydrophobicContact CB-CG2 4.14Å; H2258-V2261 PolarHBondContact O-N 3.44Å; H2258-V2261 VanDerWaalsContact O-N 3.08Å; H2258-Q2262 PolarHBondContact O-N 3.08Å; H2258-Q2262 VanDerWaalsContact O-N 3.13Å | ||
| 2259 | P | 88.2 | Confident | 90.7 | Very high | 55.5 Ų | 55.5 | 32.8 Ų | 32.8 | 36% | 0.36 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.3 | -34 | -173.9 | 25.1 | -35.7 | 0 | 0 | 0 | 113.7 | D2257 V2261 Q2262 L2263 L2298 | D2257-P2259 WeakPolarHBondContact O-CD 3.39Å; P2259-V2261 VanDerWaalsContact C-N 3.33Å; P2259-V2261 PolarHBondContact O-N 2.88Å; P2259-Q2262 PolarHBondContact O-N 2.99Å; P2259-L2263 WeakPolarHBondContact O-CG 3.46Å; P2259-L2263 PolarHBondContact O-N 3.12Å; P2259-L2298 HydrophobicContact CB-CD2 3.66Å |
| 2260 | E | 88 | Confident | 90.8 | Very high | 110 Ų | 110 | 34.2 Ų | 34.2 | 51% | 0.514 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -66.1 | -36.2 | 177.8 | -63 | -59 | 136.6 | 0 | 0 | 111.9 | H2258 L2263 R2264 | H2258-E2260 VanDerWaalsContact C-N 3.3Å; H2258-E2260 PolarHBondContact O-N 3.25Å; E2260-L2263 PolarHBondContact O-N 3.18Å; E2260-R2264 WeakPolarHBondContact O-CG 3.4Å; E2260-R2264 PolarHBondContact O-N 3.13Å; E2260-R2264 VanDerWaalsContact O-N 3.15Å |
| 2261 | V | 91.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.4 | -41.6 | 176.1 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | V2218 V2221 L2225 I2252 H2258 P2259 L2263 R2264 A2265 | V2218-V2261 HydrophobicContact CG1-CG2 3.76Å; V2221-V2261 HydrophobicContact CG1-CG1 3.73Å; L2225-V2261 HydrophobicContact CD1-CG1 3.91Å; I2252-V2261 HydrophobicContact CG2-CG1 3.42Å; I2252-V2261 VanDerWaalsContact CG2-CG1 3.42Å; H2258-V2261 HydrophobicContact CB-CB 4.1Å; H2258-V2261 HydrophobicContact CB-CG2 4.14Å; H2258-V2261 PolarHBondContact O-N 3.44Å; H2258-V2261 VanDerWaalsContact O-N 3.08Å; P2259-V2261 VanDerWaalsContact C-N 3.33Å; P2259-V2261 PolarHBondContact O-N 2.88Å; V2261-L2263 VanDerWaalsContact C-N 3.3Å; V2261-L2263 PolarHBondContact O-N 3.15Å; V2261-R2264 PolarHBondContact O-N 3.34Å; V2261-R2264 VanDerWaalsContact O-N 3.17Å; V2261-A2265 PolarHBondContact O-N 3.27Å |
| 2262 | Q | 93.1 | Very high | 91 | Very high | 0.5 Ų | 0.5 | 32.8 Ų | 32.8 | 0% | 0.002 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.2 | -41.9 | 173.7 | -65.1 | 177.2 | -45.9 | 0 | 0 | 111.6 | L2253 L2255 H2258 P2259 R2264 A2265 L2266 L2298 | L2253-Q2262 PolarHBondContact O-NE2 3.38Å; L2255-Q2262 PolarHBondContact O-NE2 3.33Å; H2258-Q2262 PolarHBondContact O-N 3.08Å; H2258-Q2262 VanDerWaalsContact O-N 3.13Å; P2259-Q2262 PolarHBondContact O-N 2.99Å; Q2262-R2264 PolarHBondContact O-N 2.96Å; Q2262-A2265 PolarHBondContact O-N 3.09Å; Q2262-L2266 WeakPolarHBondContact O-CB 3.45Å; Q2262-L2266 PolarHBondContact O-N 3.34Å; Q2262-L2298 HydrophobicContact CB-CD1 3.99Å |
| 2263 | L | 92.6 | Very high | 91 | Very high | 41 Ų | 41 | 32.8 Ų | 32.8 | 22% | 0.215 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 175.5 | -74.1 | 173.6 | 0 | 0 | 0 | 112.3 | P2259 E2260 V2261 L2266 D2267 L2298 A2301 | P2259-L2263 WeakPolarHBondContact O-CG 3.46Å; P2259-L2263 PolarHBondContact O-N 3.12Å; E2260-L2263 PolarHBondContact O-N 3.18Å; V2261-L2263 VanDerWaalsContact C-N 3.3Å; V2261-L2263 PolarHBondContact O-N 3.15Å; L2263-L2266 WeakPolarHBondContact O-CB 3.41Å; L2263-L2266 PolarHBondContact O-N 2.91Å; L2263-D2267 PolarHBondContact O-N 3.03Å; L2263-L2298 HydrophobicContact CD2-CD1 4.39Å; L2263-A2301 HydrophobicContact CD2-CB 3.54Å |
| 2264 | R | 93.9 | Very high | 91 | Very high | 66 Ų | 66 | 37.2 Ų | 37.2 | 25% | 0.249 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.8 | -38.6 | 177.2 | -63.4 | -51.1 | -169.4 | 160 | 12.6 | 112.8 | L2225 E2226 E2260 V2261 Q2262 L2266 D2267 V2268 | L2225-R2264 HydrophobicContact CB-CB 3.59Å; L2225-R2264 HydrophobicContact CD1-CB 4.04Å; L2225-R2264 HydrophobicContact CG-CB 4.48Å; E2226-R2264 VanDerWaalsContact CD-CZ 3.49Å; E2226-R2264 IonicContact OE1-CZ 3.19Å; E2226-R2264 VanDerWaalsContact OE1-CZ 3.3Å; E2226-R2264 IonicContact OE1-NH1 3.62Å; E2226-R2264 PolarHBondContact OE1-NH1 3.39Å; E2226-R2264 IonicContact OE1-NH2 3.5Å; E2226-R2264 PolarHBondContact OE1-NH2 3.24Å; E2226-R2264 IonicContact OE2-CZ 3.58Å; E2226-R2264 IonicContact OE2-NH2 3.27Å; E2226-R2264 PolarHBondContact OE2-NH2 2.97Å; E2260-R2264 WeakPolarHBondContact O-CG 3.4Å; E2260-R2264 PolarHBondContact O-N 3.13Å; E2260-R2264 VanDerWaalsContact O-N 3.15Å; V2261-R2264 PolarHBondContact O-N 3.34Å; V2261-R2264 VanDerWaalsContact O-N 3.17Å; Q2262-R2264 PolarHBondContact O-N 2.96Å; R2264-L2266 VanDerWaalsContact C-N 3.3Å; R2264-L2266 PolarHBondContact O-N 3.26Å; R2264-D2267 IonicContact NH1-OD2 3.04Å; R2264-D2267 WeakPolarHBondContact O-CB 3.29Å; R2264-D2267 PolarHBondContact O-N 3.15Å; R2264-V2268 WeakPolarHBondContact O-CG2 3.38Å; R2264-V2268 PolarHBondContact O-N 2.92Å; R2264-V2268 VanDerWaalsContact O-N 3.14Å |
| 2265 | A | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.2 | -38 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L2225 I2252 L2253 V2261 Q2262 V2268 I2269 | L2225-A2265 HydrophobicContact CD1-CB 4.15Å; I2252-A2265 HydrophobicContact CB-CB 4.3Å; I2252-A2265 HydrophobicContact CG2-CB 3.82Å; L2253-A2265 HydrophobicContact CD2-CB 3.56Å; L2253-A2265 HydrophobicContact CG-CB 4.49Å; V2261-A2265 PolarHBondContact O-N 3.27Å; Q2262-A2265 PolarHBondContact O-N 3.09Å; A2265-V2268 PolarHBondContact O-N 3.14Å; A2265-I2269 WeakPolarHBondContact O-CG1 3.31Å; A2265-I2269 PolarHBondContact O-N 3.19Å |
| 2266 | L | 95.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.7 | -43.3 | 171.5 | 173.5 | 65 | 0 | 0 | 0 | 112 | Q2262 L2263 R2264 V2268 I2269 Q2270 L2291 A2301 V2304 L2305 T2308 | Q2262-L2266 WeakPolarHBondContact O-CB 3.45Å; Q2262-L2266 PolarHBondContact O-N 3.34Å; L2263-L2266 WeakPolarHBondContact O-CB 3.41Å; L2263-L2266 PolarHBondContact O-N 2.91Å; R2264-L2266 VanDerWaalsContact C-N 3.3Å; R2264-L2266 PolarHBondContact O-N 3.26Å; L2266-V2268 VanDerWaalsContact C-N 3.27Å; L2266-V2268 PolarHBondContact O-N 3.08Å; L2266-I2269 PolarHBondContact O-N 2.78Å; L2266-Q2270 WeakPolarHBondContact O-CB 3.32Å; L2266-Q2270 PolarHBondContact O-N 3.4Å; L2266-L2291 HydrophobicContact CD1-CD1 3.61Å; L2266-A2301 HydrophobicContact CD2-CB 3.98Å; L2266-V2304 HydrophobicContact CD1-CG1 4.49Å; L2266-V2304 HydrophobicContact CD2-CB 4.11Å; L2266-V2304 HydrophobicContact CD2-CG1 3.77Å; L2266-V2304 HydrophobicContact CG-CG1 3.86Å; L2266-L2305 HydrophobicContact CD1-CD2 3.67Å; L2266-L2305 HydrophobicContact CD1-CG 4.4Å; L2266-L2305 HydrophobicContact CD2-CD2 3.82Å; L2266-L2305 HydrophobicContact CD2-CG 3.79Å; L2266-L2305 HydrophobicContact CG-CD2 4.41Å; L2266-T2308 HydrophobicContact CD1-CG2 4.44Å |
| 2267 | D | 94.6 | Very high | 91.9 | Very high | 32.5 Ų | 32.5 | 40.1 Ų | 40.1 | 17% | 0.174 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58 | -39.3 | 176.4 | -87.1 | -35.4 | 0 | 0 | 0 | 112.4 | T2229 R2233 L2263 R2264 A2271 | T2229-D2267 HydrophobicContact CG2-CB 4Å; R2233-D2267 IonicContact NH2-OD1 3.48Å; R2233-D2267 PolarHBondContact NH2-OD1 2.92Å; R2233-D2267 VanDerWaalsContact NH2-OD1 3.08Å; L2263-D2267 PolarHBondContact O-N 3.03Å; R2264-D2267 IonicContact NH1-OD2 3.04Å; R2264-D2267 WeakPolarHBondContact O-CB 3.29Å; R2264-D2267 PolarHBondContact O-N 3.15Å; D2267-A2271 WeakPolarHBondContact O-CB 3.34Å; D2267-A2271 PolarHBondContact O-N 3.19Å |
| 2268 | V | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64 | -50.7 | 173.8 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | L2225 L2228 T2229 I2232 L2249 R2264 A2265 L2266 Q2270 A2271 V2272 | L2225-V2268 HydrophobicContact CB-CG2 4.41Å; L2225-V2268 HydrophobicContact CD2-CG2 4.14Å; L2225-V2268 WeakPolarHBondContact O-CG2 3.42Å; L2228-V2268 HydrophobicContact CB-CG2 4.18Å; L2228-V2268 HydrophobicContact CD2-CG1 3.74Å; L2228-V2268 HydrophobicContact CD2-CG2 4.02Å; L2228-V2268 HydrophobicContact CG-CG1 4.04Å; L2228-V2268 HydrophobicContact CG-CG2 4.12Å; T2229-V2268 WeakPolarHBondContact OG1-CG2 3.42Å; T2229-V2268 PolarHBondContact OG1-N 3.39Å; I2232-V2268 HydrophobicContact CD1-CG1 4.26Å; L2249-V2268 HydrophobicContact CD1-CG1 3.78Å; L2249-V2268 HydrophobicContact CD2-CB 4.48Å; L2249-V2268 HydrophobicContact CD2-CG1 4.1Å; R2264-V2268 WeakPolarHBondContact O-CG2 3.38Å; R2264-V2268 PolarHBondContact O-N 2.92Å; R2264-V2268 VanDerWaalsContact O-N 3.14Å; A2265-V2268 PolarHBondContact O-N 3.14Å; L2266-V2268 VanDerWaalsContact C-N 3.27Å; L2266-V2268 PolarHBondContact O-N 3.08Å; V2268-Q2270 VanDerWaalsContact C-N 3.28Å; V2268-Q2270 PolarHBondContact O-N 3.3Å; V2268-A2271 WeakPolarHBondContact O-CB 3.4Å; V2268-A2271 PolarHBondContact O-N 3.37Å; V2268-A2271 VanDerWaalsContact O-N 3.1Å; V2268-V2272 WeakPolarHBondContact O-CG2 3.36Å; V2268-V2272 PolarHBondContact O-N 3.06Å; V2268-V2272 VanDerWaalsContact O-N 3.09Å |
| 2269 | I | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.1 | -42 | 179.5 | -68.4 | 167.6 | 0 | 0 | 0 | 110.6 | F2250 L2253 A2265 L2266 V2272 S2273 M2282 L2291 T2308 | F2250-I2269 HydrophobicContact CD2-CD1 4.37Å; F2250-I2269 HydrophobicContact CE2-CD1 4.12Å; F2250-I2269 HydrophobicContact CZ-CD1 4.27Å; L2253-I2269 HydrophobicContact CD1-CD1 3.68Å; L2253-I2269 HydrophobicContact CD2-CD1 4.39Å; L2253-I2269 HydrophobicContact CG-CD1 4.29Å; A2265-I2269 WeakPolarHBondContact O-CG1 3.31Å; A2265-I2269 PolarHBondContact O-N 3.19Å; L2266-I2269 PolarHBondContact O-N 2.78Å; I2269-V2272 VanDerWaalsContact O-CG2 3.26Å; I2269-V2272 WeakPolarHBondContact O-CG2 3.49Å; I2269-V2272 PolarHBondContact O-N 3.21Å; I2269-S2273 VanDerWaalsContact O-CB 3.25Å; I2269-S2273 WeakPolarHBondContact O-CB 3.16Å; I2269-S2273 PolarHBondContact O-N 3.38Å; I2269-M2282 HydrophobicContact CG2-CE 3.89Å; I2269-L2291 HydrophobicContact CD1-CD1 4.48Å; I2269-L2291 HydrophobicContact CG2-CD2 4.35Å; I2269-T2308 HydrophobicContact CG2-CG2 3.88Å |
| 2270 | Q | 94.5 | Very high | 92.9 | Very high | 29.5 Ų | 29.5 | 35.5 Ų | 35.5 | 14% | 0.138 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.4 | -47.2 | 175 | -171.1 | -172.8 | 30.9 | 0 | 0 | 111.1 | L2266 V2268 V2272 S2273 Q2307 T2308 | L2266-Q2270 WeakPolarHBondContact O-CB 3.32Å; L2266-Q2270 PolarHBondContact O-N 3.4Å; V2268-Q2270 VanDerWaalsContact C-N 3.28Å; V2268-Q2270 PolarHBondContact O-N 3.3Å; Q2270-V2272 VanDerWaalsContact C-N 3.31Å; Q2270-V2272 PolarHBondContact O-N 3.28Å; Q2270-S2273 PolarHBondContact O-N 3.22Å; Q2270-S2273 PolarHBondContact O-OG 3.13Å; Q2270-Q2307 VanDerWaalsContact NE2-OE1 3.11Å; Q2270-T2308 HydrophobicContact CB-CG2 4.46Å; Q2270-T2308 WeakPolarHBondContact CB-OG1 3.42Å; Q2270-T2308 WeakPolarHBondContact CG-OG1 3.39Å |
| 2271 | A | 92.6 | Very high | 93.1 | Very high | 14.5 Ų | 14.5 | 32.3 Ų | 32.3 | 12% | 0.12 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.8 | -40.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T2229 I2232 R2233 D2267 V2268 T2274 | T2229-A2271 HydrophobicContact CG2-CB 4.48Å; I2232-A2271 HydrophobicContact CG2-CB 4.01Å; R2233-A2271 HydrophobicContact CG-CB 3.92Å; D2267-A2271 WeakPolarHBondContact O-CB 3.34Å; D2267-A2271 PolarHBondContact O-N 3.19Å; V2268-A2271 WeakPolarHBondContact O-CB 3.4Å; V2268-A2271 PolarHBondContact O-N 3.37Å; V2268-A2271 VanDerWaalsContact O-N 3.1Å; A2271-T2274 PolarHBondContact O-OG1 2.85Å |
| 2272 | V | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -83.7 | -20.6 | -179.1 | -55.4 | 0 | 0 | 0 | 0 | 113.8 | I2232 E2239 C2242 F2246 V2268 I2269 Q2270 T2274 N2275 C2278 M2282 | I2232-V2272 HydrophobicContact CD1-CG1 3.8Å; I2232-V2272 HydrophobicContact CG2-CG1 4.15Å; E2239-V2272 HydrophobicContact CB-CB 4.07Å; E2239-V2272 HydrophobicContact CB-CG1 3.81Å; C2242-V2272 HydrophobicContact CB-CG1 4.2Å; F2246-V2272 HydrophobicContact CE1-CG2 3.86Å; F2246-V2272 HydrophobicContact CZ-CG2 4.17Å; V2268-V2272 WeakPolarHBondContact O-CG2 3.36Å; V2268-V2272 PolarHBondContact O-N 3.06Å; V2268-V2272 VanDerWaalsContact O-N 3.09Å; I2269-V2272 VanDerWaalsContact O-CG2 3.26Å; I2269-V2272 WeakPolarHBondContact O-CG2 3.49Å; I2269-V2272 PolarHBondContact O-N 3.21Å; Q2270-V2272 VanDerWaalsContact C-N 3.31Å; Q2270-V2272 PolarHBondContact O-N 3.28Å; V2272-T2274 PolarHBondContact O-N 3.25Å; V2272-N2275 PolarHBondContact O-N 3.27Å; V2272-C2278 HydrophobicContact CB-CB 4.42Å; V2272-M2282 HydrophobicContact CG2-CE 3.41Å; V2272-M2282 VanDerWaalsContact CG2-CE 3.45Å |
| 2273 | S | 92.2 | Very high | 93 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -17 | -176.1 | 65.9 | 0 | 0 | 0 | 0 | 114.5 | I2269 Q2270 N2275 L2279 H2311 | I2269-S2273 VanDerWaalsContact O-CB 3.25Å; I2269-S2273 WeakPolarHBondContact O-CB 3.16Å; I2269-S2273 PolarHBondContact O-N 3.38Å; Q2270-S2273 PolarHBondContact O-N 3.22Å; Q2270-S2273 PolarHBondContact O-OG 3.13Å; S2273-N2275 VanDerWaalsContact C-N 3.28Å; S2273-N2275 PolarHBondContact O-N 3.15Å; S2273-L2279 WeakPolarHBondContact O-CD2 3.39Å; S2273-H2311 PolarHBondContact OG-ND1 3.23Å |
| 2274 | T | 89.4 | Confident | 92.8 | Very high | 95 Ų | 95 | 33.7 Ų | 33.7 | 58% | 0.583 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -17.7 | 176.6 | 60.7 | 0 | 0 | 0 | 0 | 113.2 | A2271 V2272 | A2271-T2274 PolarHBondContact O-OG1 2.85Å; V2272-T2274 PolarHBondContact O-N 3.25Å |
| 2275 | N | 93 | Very high | 92.6 | Very high | 21 Ų | 21 | 31.9 Ų | 31.9 | 11% | 0.112 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -94.7 | 124.7 | -179.7 | -173.8 | -49.3 | 0 | 0 | 0 | 111.6 | E2239 V2272 S2273 Q2277 C2278 L2279 | E2239-N2275 HydrophobicContact CG-CB 3.8Å; E2239-N2275 WeakPolarHBondContact CG-ND2 3.36Å; E2239-N2275 PolarHBondContact OE1-ND2 3.21Å; E2239-N2275 WeakPolarHBondContact OE2-CB 3.44Å; E2239-N2275 PolarHBondContact OE2-ND2 3.47Å; V2272-N2275 PolarHBondContact O-N 3.27Å; S2273-N2275 VanDerWaalsContact C-N 3.28Å; S2273-N2275 PolarHBondContact O-N 3.15Å; N2275-Q2277 VanDerWaalsContact C-N 3.33Å; N2275-Q2277 PolarHBondContact O-N 3.05Å; N2275-Q2277 WeakPolarHBondContact OD1-CB 3.45Å; N2275-Q2277 PolarHBondContact OD1-N 3.19Å; N2275-C2278 HydrophobicContact CB-CB 4.34Å; N2275-C2278 WeakPolarHBondContact O-CB 3.4Å; N2275-C2278 PolarHBondContact O-N 2.74Å; N2275-L2279 WeakPolarHBondContact O-CG 3.36Å; N2275-L2279 PolarHBondContact O-N 3.07Å |
| 2276 | P | 90.8 | Very high | 92.2 | Very high | 86.5 Ų | 86.5 | 37.7 Ų | 37.7 | 56% | 0.562 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -64.5 | -30.5 | -176.4 | 26.3 | -35 | 0 | 0 | 0 | 114.3 | L2279 E2280 | P2276-L2279 WeakPolarHBondContact O-CB 3.39Å; P2276-L2279 PolarHBondContact O-N 3.15Å; P2276-E2280 WeakPolarHBondContact O-CG 3.41Å; P2276-E2280 PolarHBondContact O-N 2.95Å; P2276-E2280 VanDerWaalsContact O-N 3.09Å |
| 2277 | Q | 91.7 | Very high | 91.8 | Very high | 97.5 Ų | 97.5 | 40.4 Ų | 40.4 | 46% | 0.456 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68.8 | -37.7 | 177.7 | -65.4 | 179.8 | -20.6 | 0 | 0 | 111.4 | I2243 N2275 L2279 E2280 D2281 | I2243-Q2277 HydrophobicContact CD1-CB 4.2Å; N2275-Q2277 VanDerWaalsContact C-N 3.33Å; N2275-Q2277 PolarHBondContact O-N 3.05Å; N2275-Q2277 WeakPolarHBondContact OD1-CB 3.45Å; N2275-Q2277 PolarHBondContact OD1-N 3.19Å; Q2277-L2279 VanDerWaalsContact C-N 3.31Å; Q2277-L2279 PolarHBondContact O-N 3.39Å; Q2277-E2280 PolarHBondContact O-N 3.11Å; Q2277-D2281 PolarHBondContact O-N 2.89Å; Q2277-D2281 VanDerWaalsContact O-N 3.14Å |
| 2278 | C | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.4 | -39 | 172.7 | -64.5 | 0 | 0 | 0 | 0 | 111.2 | E2239 F2246 V2272 N2275 E2280 D2281 M2282 | E2239-C2278 PolarHBondContact O-SG 2.95Å; E2239-C2278 VanDerWaalsContact O-SG 3.38Å; F2246-C2278 HydrophobicContact CE2-CB 4.28Å; F2246-C2278 HydrophobicContact CZ-CB 3.88Å; V2272-C2278 HydrophobicContact CB-CB 4.42Å; N2275-C2278 HydrophobicContact CB-CB 4.34Å; N2275-C2278 WeakPolarHBondContact O-CB 3.4Å; N2275-C2278 PolarHBondContact O-N 2.74Å; C2278-E2280 VanDerWaalsContact C-N 3.34Å; C2278-E2280 PolarHBondContact O-N 3.09Å; C2278-D2281 PolarHBondContact O-N 3.28Å; C2278-M2282 WeakPolarHBondContact O-CB 3.4Å; C2278-M2282 VanDerWaalsContact O-CG 3.25Å; C2278-M2282 WeakPolarHBondContact O-CG 3.31Å; C2278-M2282 PolarHBondContact O-N 2.74Å |
| 2279 | L | 93 | Very high | 91.4 | Very high | 11 Ų | 11 | 40.1 Ų | 40.1 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.4 | -37.9 | 175.9 | -61.8 | -178.4 | 0 | 0 | 0 | 112.8 | S2273 N2275 P2276 Q2277 M2282 A2283 L2312 S2314 L2318 | S2273-L2279 WeakPolarHBondContact O-CD2 3.39Å; N2275-L2279 WeakPolarHBondContact O-CG 3.36Å; N2275-L2279 PolarHBondContact O-N 3.07Å; P2276-L2279 WeakPolarHBondContact O-CB 3.39Å; P2276-L2279 PolarHBondContact O-N 3.15Å; Q2277-L2279 VanDerWaalsContact C-N 3.31Å; Q2277-L2279 PolarHBondContact O-N 3.39Å; L2279-M2282 HydrophobicContact CD2-SD 4.41Å; L2279-A2283 WeakPolarHBondContact O-CB 3.45Å; L2279-A2283 PolarHBondContact O-N 3.1Å; L2279-L2312 HydrophobicContact CD2-CD2 3.49Å; L2279-L2312 HydrophobicContact CD2-CG 4.49Å; L2279-S2314 WeakPolarHBondContact CD1-OG 3.38Å; L2279-L2318 HydrophobicContact CB-CD1 4.2Å; L2279-L2318 HydrophobicContact CD2-CD1 4.01Å |
| 2280 | E | 91.5 | Very high | 91.2 | Very high | 137.5 Ų | 137.5 | 40.4 Ų | 40.4 | 64% | 0.643 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -64.6 | -44.2 | 176.1 | -72.8 | 177.8 | 179.7 | 0 | 0 | 111.7 | P2276 Q2277 C2278 A2283 A2284 | P2276-E2280 WeakPolarHBondContact O-CG 3.41Å; P2276-E2280 PolarHBondContact O-N 2.95Å; P2276-E2280 VanDerWaalsContact O-N 3.09Å; Q2277-E2280 PolarHBondContact O-N 3.11Å; C2278-E2280 VanDerWaalsContact C-N 3.34Å; C2278-E2280 PolarHBondContact O-N 3.09Å; E2280-A2283 WeakPolarHBondContact O-CB 3.08Å; E2280-A2283 PolarHBondContact O-N 3.08Å; E2280-A2284 PolarHBondContact O-N 3.1Å |
| 2281 | D | 92.7 | Very high | 91.1 | Very high | 42 Ų | 42 | 39 Ų | 39 | 23% | 0.225 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.6 | -37.8 | 178.4 | -166.1 | 51 | 0 | 0 | 0 | 112.4 | I2243 G2244 F2246 Q2277 C2278 A2283 A2284 S2285 | I2243-D2281 WeakPolarHBondContact CA-OD2 3.39Å; I2243-D2281 HydrophobicContact CG2-CB 4.31Å; G2244-D2281 PolarHBondContact N-OD2 3.06Å; F2246-D2281 HydrophobicContact CD2-CB 4.03Å; F2246-D2281 WeakPolarHBondContact CD2-OD2 3.36Å; F2246-D2281 HydrophobicContact CE2-CB 3.98Å; Q2277-D2281 PolarHBondContact O-N 2.89Å; Q2277-D2281 VanDerWaalsContact O-N 3.14Å; C2278-D2281 PolarHBondContact O-N 3.28Å; D2281-A2283 VanDerWaalsContact C-N 3.31Å; D2281-A2283 PolarHBondContact O-N 3.19Å; D2281-A2284 WeakPolarHBondContact O-CB 3.39Å; D2281-A2284 PolarHBondContact O-N 2.78Å; D2281-A2284 VanDerWaalsContact O-N 3.11Å; D2281-S2285 PolarHBondContact O-N 2.83Å; D2281-S2285 PolarHBondContact O-OG 3.19Å |
| 2282 | M | 92.2 | Very high | 91.1 | Very high | 3.5 Ų | 3.5 | 38.3 Ų | 38.3 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.6 | -43.8 | 170.1 | -74.8 | 179.7 | -177.4 | 0 | 0 | 111.5 | F2246 F2250 I2269 V2272 C2278 L2279 A2284 S2285 L2312 L2318 | F2246-M2282 HydrophobicContact CD1-CE 3.67Å; F2246-M2282 HydrophobicContact CD1-CG 3.79Å; F2246-M2282 HydrophobicContact CD2-CG 3.79Å; F2246-M2282 HydrophobicContact CE1-CE 3.17Å; F2246-M2282 HydrophobicContact CE1-CG 3.93Å; F2246-M2282 HydrophobicContact CE1-SD 4.41Å; F2246-M2282 HydrophobicContact CE2-CE 4.47Å; F2246-M2282 HydrophobicContact CE2-CG 3.91Å; F2246-M2282 HydrophobicContact CG-CE 4.5Å; F2246-M2282 HydrophobicContact CG-CG 3.76Å; F2246-M2282 HydrophobicContact CZ-CE 3.65Å; F2246-M2282 HydrophobicContact CZ-CG 3.99Å; F2250-M2282 HydrophobicContact CE2-CG 4.36Å; I2269-M2282 HydrophobicContact CG2-CE 3.89Å; V2272-M2282 HydrophobicContact CG2-CE 3.41Å; V2272-M2282 VanDerWaalsContact CG2-CE 3.45Å; C2278-M2282 WeakPolarHBondContact O-CB 3.4Å; C2278-M2282 VanDerWaalsContact O-CG 3.25Å; C2278-M2282 WeakPolarHBondContact O-CG 3.31Å; C2278-M2282 PolarHBondContact O-N 2.74Å; L2279-M2282 HydrophobicContact CD2-SD 4.41Å; M2282-A2284 VanDerWaalsContact C-N 3.27Å; M2282-A2284 PolarHBondContact O-N 3.31Å; M2282-S2285 WeakPolarHBondContact O-CB 3.34Å; M2282-S2285 PolarHBondContact O-N 3.15Å; M2282-S2285 VanDerWaalsContact O-N 3.13Å; M2282-S2285 PolarHBondContact O-OG 3.15Å; M2282-L2312 HydrophobicContact SD-CD2 3.64Å; M2282-L2312 VanDerWaalsContact SD-CD2 3.6Å; M2282-L2318 HydrophobicContact CB-CD2 4.43Å |
| 2283 | A | 89.7 | Confident | 91 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.8 | -31.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L2279 E2280 D2281 S2285 H2286 L2317 L2318 | L2279-A2283 WeakPolarHBondContact O-CB 3.45Å; L2279-A2283 PolarHBondContact O-N 3.1Å; E2280-A2283 WeakPolarHBondContact O-CB 3.08Å; E2280-A2283 PolarHBondContact O-N 3.08Å; D2281-A2283 VanDerWaalsContact C-N 3.31Å; D2281-A2283 PolarHBondContact O-N 3.19Å; A2283-S2285 VanDerWaalsContact C-N 3.31Å; A2283-H2286 PolarHBondContact O-CE1 3.28Å; A2283-H2286 PolarHBondContact O-ND1 3.14Å; A2283-L2317 HydrophobicContact CB-CB 3.95Å; A2283-L2317 HydrophobicContact CB-CD1 4.25Å; A2283-L2318 HydrophobicContact CB-CD2 3.88Å; A2283-L2318 HydrophobicContact CB-CG 3.97Å |
| 2284 | A | 89.7 | Confident | 91 | Very high | 65 Ų | 65 | 38.6 Ų | 38.6 | 54% | 0.537 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -72.9 | -24.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E2280 D2281 M2282 H2286 | E2280-A2284 PolarHBondContact O-N 3.1Å; D2281-A2284 WeakPolarHBondContact O-CB 3.39Å; D2281-A2284 PolarHBondContact O-N 2.78Å; D2281-A2284 VanDerWaalsContact O-N 3.11Å; M2282-A2284 VanDerWaalsContact C-N 3.27Å; M2282-A2284 PolarHBondContact O-N 3.31Å; A2284-H2286 PolarHBondContact O-CD2 3.15Å |
| 2285 | S | 87.8 | Confident | 91.2 | Very high | 27 Ų | 27 | 34.3 Ų | 34.3 | 19% | 0.189 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -74.6 | -25 | -179.6 | 7.1 | 0 | 0 | 0 | 0 | 113.3 | D2281 M2282 A2283 L2287 | D2281-S2285 PolarHBondContact O-N 2.83Å; D2281-S2285 PolarHBondContact O-OG 3.19Å; M2282-S2285 WeakPolarHBondContact O-CB 3.34Å; M2282-S2285 PolarHBondContact O-N 3.15Å; M2282-S2285 VanDerWaalsContact O-N 3.13Å; M2282-S2285 PolarHBondContact O-OG 3.15Å; A2283-S2285 VanDerWaalsContact C-N 3.31Å; S2285-L2287 VanDerWaalsContact C-N 3.27Å; S2285-L2287 WeakPolarHBondContact O-CG 3.16Å; S2285-L2287 PolarHBondContact O-N 3.43Å |
| 2286 | H | 87.3 | Confident | 91.1 | Very high | 123 Ų | 123 | 36 Ų | 36 | 57% | 0.569 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 29.6 | -177.9 | -56.2 | -52.2 | 0 | 0 | 0 | 114.8 | A2283 A2284 E2321 | A2283-H2286 PolarHBondContact O-CE1 3.28Å; A2283-H2286 PolarHBondContact O-ND1 3.14Å; A2284-H2286 PolarHBondContact O-CD2 3.15Å; H2286-E2321 IonicContact CE1-OE1 3.63Å; H2286-E2321 IonicContact CG-OE1 2.66Å; H2286-E2321 IonicContact ND1-OE1 3.27Å; H2286-E2321 PolarHBondContact ND1-OE1 3.28Å |
| 2287 | L | 86.9 | Confident | 91 | Very high | 56 Ų | 56 | 34 Ų | 34 | 29% | 0.293 | 18% | 0.182 | S | C | . | . | trans | -104.7 | 10.8 | -175.1 | -59.8 | 175.8 | 0 | 0 | 0 | 113.9 | P2247 F2250 S2285 T2289 S2290 | P2247-L2287 HydrophobicContact CB-CD1 4.15Å; P2247-L2287 HydrophobicContact CG-CD1 4.36Å; F2250-L2287 HydrophobicContact CB-CB 3.76Å; F2250-L2287 HydrophobicContact CB-CD1 3.7Å; F2250-L2287 HydrophobicContact CB-CG 4.35Å; F2250-L2287 HydrophobicContact CD1-CB 3.67Å; F2250-L2287 WeakPolarHBondContact CD1-O 3.39Å; F2250-L2287 HydrophobicContact CD2-CB 4.4Å; F2250-L2287 HydrophobicContact CE1-CB 4.34Å; F2250-L2287 WeakPolarHBondContact CE1-O 3.4Å; F2250-L2287 HydrophobicContact CG-CB 3.69Å; F2250-L2287 HydrophobicContact CG-CD1 4.28Å; S2285-L2287 VanDerWaalsContact C-N 3.27Å; S2285-L2287 WeakPolarHBondContact O-CG 3.16Å; S2285-L2287 PolarHBondContact O-N 3.43Å; L2287-T2289 PolarHBondContact O-N 3.25Å; L2287-S2290 PolarHBondContact O-N 2.94Å | ||
| 2288 | L | 91.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.1 | -22.6 | -173.6 | -168.9 | 62.6 | 0 | 0 | 0 | 113.6 | S2290 L2291 V2292 M2309 L2312 L2318 E2321 F2322 | L2288-S2290 VanDerWaalsContact C-N 3.33Å; L2288-S2290 PolarHBondContact O-N 3.11Å; L2288-L2291 HydrophobicContact CD1-CB 4.32Å; L2288-L2291 HydrophobicContact CD1-CD2 3.87Å; L2288-L2291 PolarHBondContact O-N 3.1Å; L2288-V2292 HydrophobicContact CG-CG2 4.3Å; L2288-V2292 WeakPolarHBondContact O-CG2 3.42Å; L2288-V2292 PolarHBondContact O-N 3.29Å; L2288-V2292 VanDerWaalsContact O-N 3.08Å; L2288-M2309 HydrophobicContact CD1-CE 4.15Å; L2288-L2312 HydrophobicContact CD1-CD1 3.8Å; L2288-L2318 HydrophobicContact CD2-CB 4.27Å; L2288-L2318 HydrophobicContact CD2-CD2 4.2Å; L2288-L2318 VanDerWaalsContact CD2-O 3.24Å; L2288-L2318 WeakPolarHBondContact CD2-O 3.42Å; L2288-E2321 HydrophobicContact CB-CB 4.14Å; L2288-E2321 WeakPolarHBondContact CB-OE2 3.43Å; L2288-E2321 HydrophobicContact CD2-CB 3.74Å; L2288-F2322 HydrophobicContact CD2-CB 4.06Å |
| 2289 | T | 91.1 | Very high | 90.6 | Very high | 23.5 Ų | 23.5 | 34.2 Ų | 34.2 | 14% | 0.144 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.4 | -44.6 | 177.4 | -53.9 | 0 | 0 | 0 | 0 | 112.6 | L2287 L2291 V2292 M2293 H2429 | L2287-T2289 PolarHBondContact O-N 3.25Å; T2289-L2291 VanDerWaalsContact C-N 3.27Å; T2289-L2291 PolarHBondContact O-N 2.79Å; T2289-V2292 PolarHBondContact O-N 3.38Å; T2289-V2292 VanDerWaalsContact O-N 3.1Å; T2289-M2293 HydrophobicContact CG2-CG 4.36Å; T2289-M2293 HydrophobicContact CG2-SD 4.09Å; T2289-M2293 WeakPolarHBondContact O-CG 3.4Å; T2289-M2293 PolarHBondContact O-N 3.11Å; T2289-H2429 WeakPolarHBondContact CG2-O 3.4Å; T2289-H2429 PolarHBondContact OG1-O 3.09Å |
| 2290 | S | 89.9 | Confident | 90.4 | Very high | 5.5 Ų | 5.5 | 44.6 Ų | 44.6 | 4% | 0.038 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59 | -40.4 | -179.6 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | D2254 L2287 L2288 | D2254-S2290 WeakPolarHBondContact OD1-CB 3.41Å; D2254-S2290 PolarHBondContact OD1-OG 3.45Å; L2287-S2290 PolarHBondContact O-N 2.94Å; L2288-S2290 VanDerWaalsContact C-N 3.33Å; L2288-S2290 PolarHBondContact O-N 3.11Å |
| 2291 | L | 92.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.7 | -38.5 | 176.7 | -172.8 | 68.8 | 0 | 0 | 0 | 112.2 | F2250 L2253 L2266 I2269 L2288 T2289 L2294 L2305 T2308 M2309 L2312 | F2250-L2291 HydrophobicContact CE1-CB 3.87Å; L2253-L2291 HydrophobicContact CD1-CB 4.09Å; L2253-L2291 HydrophobicContact CD1-CD1 3.82Å; L2266-L2291 HydrophobicContact CD1-CD1 3.61Å; I2269-L2291 HydrophobicContact CD1-CD1 4.48Å; I2269-L2291 HydrophobicContact CG2-CD2 4.35Å; L2288-L2291 HydrophobicContact CD1-CB 4.32Å; L2288-L2291 HydrophobicContact CD1-CD2 3.87Å; L2288-L2291 PolarHBondContact O-N 3.1Å; T2289-L2291 VanDerWaalsContact C-N 3.27Å; T2289-L2291 PolarHBondContact O-N 2.79Å; L2291-L2294 HydrophobicContact CD1-CD1 4.23Å; L2291-L2294 WeakPolarHBondContact O-CB 3.34Å; L2291-L2294 PolarHBondContact O-N 3.4Å; L2291-L2305 HydrophobicContact CD1-CD2 3.85Å; L2291-L2305 HydrophobicContact CG-CD2 4.3Å; L2291-T2308 HydrophobicContact CD2-CG2 4.46Å; L2291-M2309 HydrophobicContact CB-CE 4.19Å; L2291-M2309 HydrophobicContact CD2-CE 3.47Å; L2291-M2309 VanDerWaalsContact CD2-CE 3.47Å; L2291-M2309 HydrophobicContact CD2-SD 4.48Å; L2291-M2309 HydrophobicContact CG-CE 3.57Å; L2291-L2312 HydrophobicContact CD2-CD1 3.46Å; L2291-L2312 VanDerWaalsContact CD2-CD1 3.46Å |
| 2292 | V | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.3 | -38.3 | 178.4 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | L2288 T2289 L2294 F2295 M2309 F2322 A2325 Y2330 | L2288-V2292 HydrophobicContact CG-CG2 4.3Å; L2288-V2292 WeakPolarHBondContact O-CG2 3.42Å; L2288-V2292 PolarHBondContact O-N 3.29Å; L2288-V2292 VanDerWaalsContact O-N 3.08Å; T2289-V2292 PolarHBondContact O-N 3.38Å; T2289-V2292 VanDerWaalsContact O-N 3.1Å; V2292-L2294 PolarHBondContact O-N 3.06Å; V2292-F2295 WeakPolarHBondContact O-CB 3.38Å; V2292-F2295 WeakPolarHBondContact O-CD2 3.26Å; V2292-F2295 PolarHBondContact O-N 3.25Å; V2292-F2295 VanDerWaalsContact O-N 3.08Å; V2292-M2309 HydrophobicContact CG2-CE 3.82Å; V2292-F2322 HydrophobicContact CG2-CD2 3.72Å; V2292-F2322 HydrophobicContact CG2-CE2 4.15Å; V2292-A2325 HydrophobicContact CB-CB 4.05Å; V2292-A2325 HydrophobicContact CG1-CB 4.09Å; V2292-A2325 WeakPolarHBondContact CG1-O 3.34Å; V2292-A2325 HydrophobicContact CG2-CB 3.97Å; V2292-Y2330 HydrophobicContact CG1-CD2 3.66Å; V2292-Y2330 HydrophobicContact CG1-CE2 3.99Å |
| 2293 | M | 91.8 | Very high | 90.4 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.02 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.6 | -26.6 | 176.7 | -78 | 174.5 | 45.2 | 0 | 0 | 112.9 | H2256 T2289 F2295 F2296 V2297 Y2422 Q2425 | H2256-M2293 WeakPolarHBondContact NE2-CE 3.06Å; T2289-M2293 HydrophobicContact CG2-CG 4.36Å; T2289-M2293 HydrophobicContact CG2-SD 4.09Å; T2289-M2293 WeakPolarHBondContact O-CG 3.4Å; T2289-M2293 PolarHBondContact O-N 3.11Å; M2293-F2295 PolarHBondContact O-N 3.17Å; M2293-F2296 WeakPolarHBondContact O-CB 3.38Å; M2293-F2296 PolarHBondContact O-N 2.93Å; M2293-V2297 PolarHBondContact O-N 3.07Å; M2293-Y2422 HydrophobicContact CB-CD2 4.43Å; M2293-Y2422 HydrophobicContact CB-CE2 4.13Å; M2293-Y2422 HydrophobicContact CE-CD2 4.19Å; M2293-Y2422 HydrophobicContact CE-CE2 3.63Å; M2293-Y2422 HydrophobicContact CG-CD2 4.33Å; M2293-Y2422 HydrophobicContact CG-CE2 4.37Å; M2293-Q2425 HydrophobicContact CE-CB 4.43Å; M2293-Q2425 HydrophobicContact CG-CB 4.25Å; M2293-Q2425 HydrophobicContact SD-CB 3.65Å |
| 2294 | L | 92.8 | Very high | 90.5 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.2 | -21.6 | 176.6 | -58.2 | -176.8 | 0 | 0 | 0 | 113.5 | L2253 L2291 V2292 F2296 V2297 L2298 L2305 | L2253-L2294 HydrophobicContact CB-CD1 4.49Å; L2253-L2294 HydrophobicContact CD1-CD1 4.34Å; L2253-L2294 HydrophobicContact CD2-CD1 4.01Å; L2291-L2294 HydrophobicContact CD1-CD1 4.23Å; L2291-L2294 WeakPolarHBondContact O-CB 3.34Å; L2291-L2294 PolarHBondContact O-N 3.4Å; V2292-L2294 PolarHBondContact O-N 3.06Å; L2294-F2296 PolarHBondContact O-N 3.11Å; L2294-V2297 PolarHBondContact O-N 3.05Å; L2294-L2298 HydrophobicContact CB-CD1 4.42Å; L2294-L2298 HydrophobicContact CD1-CD1 4.41Å; L2294-L2298 HydrophobicContact CD2-CD1 3.92Å; L2294-L2298 HydrophobicContact CD2-CG 4.47Å; L2294-L2298 HydrophobicContact CG-CD1 4.48Å; L2294-L2298 PolarHBondContact O-N 3.12Å; L2294-L2305 HydrophobicContact CB-CD1 3.81Å; L2294-L2305 HydrophobicContact CB-CD2 4Å; L2294-L2305 HydrophobicContact CD1-CD2 4.28Å |
| 2295 | F | 93.3 | Very high | 90.8 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60 | -31.2 | 171.3 | -79.5 | -64.4 | 0 | 0 | 0 | 112.3 | V2292 M2293 H2302 L2305 I2306 M2309 F2322 Y2330 L2331 I2334 | V2292-F2295 WeakPolarHBondContact O-CB 3.38Å; V2292-F2295 WeakPolarHBondContact O-CD2 3.26Å; V2292-F2295 PolarHBondContact O-N 3.25Å; V2292-F2295 VanDerWaalsContact O-N 3.08Å; M2293-F2295 PolarHBondContact O-N 3.17Å; F2295-H2302 PolarHBondContact O-NE2 3.08Å; F2295-L2305 HydrophobicContact CD1-CB 4.13Å; F2295-L2305 HydrophobicContact CD1-CD1 4Å; F2295-L2305 HydrophobicContact CE1-CB 3.54Å; F2295-L2305 HydrophobicContact CE1-CD1 4.27Å; F2295-L2305 HydrophobicContact CE2-CB 4.47Å; F2295-L2305 HydrophobicContact CG-CD1 4.32Å; F2295-L2305 HydrophobicContact CZ-CB 3.74Å; F2295-I2306 HydrophobicContact CE1-CG1 3.94Å; F2295-I2306 HydrophobicContact CZ-CG1 4.41Å; F2295-M2309 HydrophobicContact CE2-CE 4.11Å; F2295-M2309 HydrophobicContact CE2-CG 3.89Å; F2295-M2309 HydrophobicContact CZ-CG 3.86Å; F2295-F2322 HydrophobicContact CE2-CE2 4.14Å; F2295-Y2330 HydrophobicContact CB-CG 4.25Å; F2295-L2331 HydrophobicContact CD1-CD2 4.34Å; F2295-L2331 HydrophobicContact CE1-CD2 3.8Å; F2295-L2331 HydrophobicContact CE2-CD2 4.16Å; F2295-L2331 HydrophobicContact CZ-CD2 3.69Å; F2295-I2334 HydrophobicContact CB-CD1 4.21Å; F2295-I2334 HydrophobicContact CD1-CD1 3.4Å; F2295-I2334 VanDerWaalsContact CD1-CD1 3.4Å; F2295-I2334 HydrophobicContact CE1-CD1 4.08Å; F2295-I2334 HydrophobicContact CG-CD1 4.14Å |
| 2296 | F | 90.7 | Very high | 91.1 | Very high | 55 Ų | 55 | 36.5 Ų | 36.5 | 24% | 0.241 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -83 | -44.9 | 177.3 | -175.7 | -94.6 | 0 | 0 | 0 | 111.9 | M2293 L2294 Y2330 H2419 Y2422 | M2293-F2296 WeakPolarHBondContact O-CB 3.38Å; M2293-F2296 PolarHBondContact O-N 2.93Å; L2294-F2296 PolarHBondContact O-N 3.11Å; F2296-Y2330 HydrophobicContact CB-CD1 4.11Å; F2296-Y2330 HydrophobicContact CB-CE1 3.73Å; F2296-Y2330 HydrophobicContact CD2-CE1 4.05Å; F2296-Y2330 HydrophobicContact CG-CE1 4.22Å; F2296-H2419 AromaticContact CE2-CD2 3.87Å; F2296-H2419 AromaticContact CE2-CE1 3.95Å; F2296-H2419 AromaticContact CE2-CG 3.89Å; F2296-H2419 AromaticContact CE2-ND1 3.95Å; F2296-H2419 AromaticContact CE2-NE2 3.92Å; F2296-H2419 AromaticContact CZ-CE1 3.45Å; F2296-H2419 VanDerWaalsContact CZ-CE1 3.45Å; F2296-H2419 WeakPolarHBondContact CZ-CE1 3.1Å; F2296-H2419 AromaticContact CZ-CG 3.85Å; F2296-H2419 AromaticContact CZ-ND1 3.43Å; F2296-H2419 WeakPolarHBondContact CZ-ND1 3.26Å; F2296-H2419 AromaticContact CZ-NE2 3.88Å; F2296-Y2422 HydrophobicContact CB-CD2 3.76Å; F2296-Y2422 HydrophobicContact CB-CE2 4.19Å; F2296-Y2422 HydrophobicContact CB-CG 4.29Å; F2296-Y2422 AromaticContact CD1-CD1 3.45Å; F2296-Y2422 HydrophobicContact CD1-CD1 3.45Å; F2296-Y2422 VanDerWaalsContact CD1-CD1 3.45Å; F2296-Y2422 AromaticContact CD1-CD2 3.41Å; F2296-Y2422 HydrophobicContact CD1-CD2 3.41Å; F2296-Y2422 VanDerWaalsContact CD1-CD2 3.41Å; F2296-Y2422 AromaticContact CD1-CE1 3.67Å; F2296-Y2422 HydrophobicContact CD1-CE1 3.67Å; F2296-Y2422 AromaticContact CD1-CE2 3.61Å; F2296-Y2422 HydrophobicContact CD1-CE2 3.61Å; F2296-Y2422 AromaticContact CD1-CG 3.33Å; F2296-Y2422 HydrophobicContact CD1-CG 3.33Å; F2296-Y2422 AromaticContact CD1-CZ 3.75Å; F2296-Y2422 HydrophobicContact CD2-CG 4.41Å; F2296-Y2422 AromaticContact CE1-CD1 3.32Å; F2296-Y2422 HydrophobicContact CE1-CD1 3.32Å; F2296-Y2422 HydrophobicContact CE1-CD2 4.18Å; F2296-Y2422 AromaticContact CE1-CE1 3.63Å; F2296-Y2422 HydrophobicContact CE1-CE1 3.63Å; F2296-Y2422 HydrophobicContact CE1-CE2 4.42Å; F2296-Y2422 AromaticContact CE1-CG 3.64Å; F2296-Y2422 HydrophobicContact CE1-CG 3.64Å; F2296-Y2422 HydrophobicContact CG-CD1 4.31Å; F2296-Y2422 AromaticContact CG-CD2 3.72Å; F2296-Y2422 HydrophobicContact CG-CD2 3.72Å; F2296-Y2422 HydrophobicContact CG-CE2 4.24Å; F2296-Y2422 AromaticContact CG-CG 3.76Å; F2296-Y2422 HydrophobicContact CG-CG 3.76Å; F2296-Y2422 HydrophobicContact CZ-CD1 4.1Å; F2296-Y2422 HydrophobicContact CZ-CG 4.29Å |
| 2297 | V | 88.3 | Confident | 91.4 | Very high | 46 Ų | 46 | 34.5 Ų | 34.5 | 28% | 0.279 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -81.6 | -34.1 | -170.9 | -172.5 | 0 | 0 | 0 | 0 | 113.3 | M2293 L2294 P2299 Y2422 | M2293-V2297 PolarHBondContact O-N 3.07Å; L2294-V2297 PolarHBondContact O-N 3.05Å; V2297-P2299 VanDerWaalsContact C-CD 3.45Å; V2297-P2299 VanDerWaalsContact O-CD 3.23Å; V2297-P2299 WeakPolarHBondContact O-CD 3.42Å; V2297-Y2422 HydrophobicContact CG2-CE2 3.41Å; V2297-Y2422 VanDerWaalsContact CG2-CE2 3.41Å; V2297-Y2422 VanDerWaalsContact CG2-CZ 3.43Å; V2297-Y2422 WeakPolarHBondContact CG2-OH 3.38Å |
| 2298 | L | 89.2 | Confident | 91.8 | Very high | 16 Ų | 16 | 31.8 Ų | 31.8 | 8% | 0.084 | 16% | 0.156 | C | C | . | . | trans | -120.3 | 76.3 | -170.7 | -64 | 177.2 | 0 | 0 | 0 | 113 | P2259 Q2262 L2263 L2294 R2300 A2301 H2302 | P2259-L2298 HydrophobicContact CB-CD2 3.66Å; Q2262-L2298 HydrophobicContact CB-CD1 3.99Å; L2263-L2298 HydrophobicContact CD2-CD1 4.39Å; L2294-L2298 HydrophobicContact CB-CD1 4.42Å; L2294-L2298 HydrophobicContact CD1-CD1 4.41Å; L2294-L2298 HydrophobicContact CD2-CD1 3.92Å; L2294-L2298 HydrophobicContact CD2-CG 4.47Å; L2294-L2298 HydrophobicContact CG-CD1 4.48Å; L2294-L2298 PolarHBondContact O-N 3.12Å; L2298-R2300 PolarHBondContact O-N 3.11Å; L2298-R2300 VanDerWaalsContact O-N 3.09Å; L2298-A2301 HydrophobicContact CB-CB 3.83Å; L2298-A2301 WeakPolarHBondContact O-CB 3.32Å; L2298-A2301 PolarHBondContact O-N 3.25Å; L2298-H2302 PolarHBondContact O-CD2 3.1Å | ||
| 2299 | P | 88 | Confident | 91.9 | Very high | 86 Ų | 86 | 31.7 Ų | 31.7 | 56% | 0.558 | 16% | 0.155 | S | C | * | . | G | 310 helix | trans | -53.5 | -31.4 | 174.6 | -28.1 | 34.8 | 0 | 0 | 0 | 115.2 | V2297 A2301 H2302 | V2297-P2299 VanDerWaalsContact C-CD 3.45Å; V2297-P2299 VanDerWaalsContact O-CD 3.23Å; V2297-P2299 WeakPolarHBondContact O-CD 3.42Å; P2299-A2301 VanDerWaalsContact C-N 3.26Å; P2299-A2301 PolarHBondContact O-N 2.87Å; P2299-H2302 WeakPolarHBondContact CA-NE2 3.37Å; P2299-H2302 VanDerWaalsContact O-CG 3.26Å; P2299-H2302 PolarHBondContact O-N 3.29Å; P2299-H2302 PolarHBondContact O-ND1 3.17Å |
| 2300 | R | 88.4 | Confident | 92 | Very high | 228 Ų | 228 | 34.5 Ų | 34.5 | 86% | 0.86 | 17% | 0.166 | S | C | * | . | G | 310 helix | trans | -69.1 | -24.7 | 178.7 | -62.4 | -179.2 | -178.7 | 178.4 | 0.9 | 112.9 | L2298 | L2298-R2300 PolarHBondContact O-N 3.11Å; L2298-R2300 VanDerWaalsContact O-N 3.09Å |
| 2301 | A | 90.4 | Very high | 92.1 | Very high | 1.5 Ų | 1.5 | 37.5 Ų | 37.5 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -88.3 | -5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L2263 L2266 L2298 P2299 L2303 V2304 L2305 | L2263-A2301 HydrophobicContact CD2-CB 3.54Å; L2266-A2301 HydrophobicContact CD2-CB 3.98Å; L2298-A2301 HydrophobicContact CB-CB 3.83Å; L2298-A2301 WeakPolarHBondContact O-CB 3.32Å; L2298-A2301 PolarHBondContact O-N 3.25Å; P2299-A2301 VanDerWaalsContact C-N 3.26Å; P2299-A2301 PolarHBondContact O-N 2.87Å; A2301-L2303 VanDerWaalsContact C-N 3.33Å; A2301-L2303 PolarHBondContact O-N 3.21Å; A2301-L2303 VanDerWaalsContact O-N 3.15Å; A2301-V2304 PolarHBondContact O-N 3.39Å; A2301-L2305 HydrophobicContact CB-CD1 3.92Å; A2301-L2305 HydrophobicContact CB-CG 4.17Å; A2301-L2305 PolarHBondContact O-N 2.95Å |
| 2302 | H | 94.1 | Very high | 92.2 | Very high | 19.5 Ų | 19.5 | 37.5 Ų | 37.5 | 9% | 0.09 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -52.4 | -45.1 | -168.1 | -74.3 | 176 | 0 | 0 | 0 | 113.9 | F2295 L2298 P2299 V2304 L2305 I2306 T2343 | F2295-H2302 PolarHBondContact O-NE2 3.08Å; L2298-H2302 PolarHBondContact O-CD2 3.1Å; P2299-H2302 WeakPolarHBondContact CA-NE2 3.37Å; P2299-H2302 VanDerWaalsContact O-CG 3.26Å; P2299-H2302 PolarHBondContact O-N 3.29Å; P2299-H2302 PolarHBondContact O-ND1 3.17Å; H2302-V2304 PolarHBondContact O-N 3.41Å; H2302-L2305 PolarHBondContact O-N 2.85Å; H2302-I2306 WeakPolarHBondContact O-CB 3.39Å; H2302-I2306 VanDerWaalsContact O-CD1 3.3Å; H2302-I2306 WeakPolarHBondContact O-CD1 3.33Å; H2302-I2306 WeakPolarHBondContact O-CG1 3.34Å; H2302-I2306 PolarHBondContact O-N 3.15Å; H2302-T2343 HydrophobicContact CB-CG2 3.51Å |
| 2303 | L | 92.4 | Very high | 92.1 | Very high | 48.5 Ų | 48.5 | 38.1 Ų | 38.1 | 25% | 0.254 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.4 | -42.8 | 179.9 | -122 | 119.8 | 0 | 0 | 0 | 112.1 | A2301 I2306 Q2307 Q2342 A2346 | A2301-L2303 VanDerWaalsContact C-N 3.33Å; A2301-L2303 PolarHBondContact O-N 3.21Å; A2301-L2303 VanDerWaalsContact O-N 3.15Å; L2303-I2306 PolarHBondContact O-N 2.93Å; L2303-Q2307 VanDerWaalsContact O-CG 3.27Å; L2303-Q2307 WeakPolarHBondContact O-CG 3.36Å; L2303-Q2307 PolarHBondContact O-N 3.37Å; L2303-Q2342 HydrophobicContact CD1-CG 4.3Å; L2303-Q2342 HydrophobicContact CD2-CG 4.07Å; L2303-A2346 HydrophobicContact CD1-CB 4.03Å; L2303-A2346 HydrophobicContact CD2-CB 4.24Å |
| 2304 | V | 91.8 | Very high | 92 | Very high | 39.5 Ų | 39.5 | 42.1 Ų | 42.1 | 24% | 0.239 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.7 | -42.2 | 178.8 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | L2266 A2301 H2302 I2306 Q2307 T2308 | L2266-V2304 HydrophobicContact CD1-CG1 4.49Å; L2266-V2304 HydrophobicContact CD2-CB 4.11Å; L2266-V2304 HydrophobicContact CD2-CG1 3.77Å; L2266-V2304 HydrophobicContact CG-CG1 3.86Å; A2301-V2304 PolarHBondContact O-N 3.39Å; H2302-V2304 PolarHBondContact O-N 3.41Å; V2304-I2306 PolarHBondContact O-N 3.38Å; V2304-Q2307 PolarHBondContact O-N 3.05Å; V2304-T2308 WeakPolarHBondContact O-CB 3.28Å; V2304-T2308 PolarHBondContact O-N 3.22Å; V2304-T2308 PolarHBondContact O-OG1 3.41Å |
| 2305 | L | 94.8 | Very high | 92 | Very high | 0.5 Ų | 0.5 | 43.1 Ų | 43.1 | 0% | 0.003 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 174.5 | -76.2 | 167.3 | 0 | 0 | 0 | 111.6 | L2266 L2291 L2294 F2295 A2301 H2302 T2308 M2309 | L2266-L2305 HydrophobicContact CD1-CD2 3.67Å; L2266-L2305 HydrophobicContact CD1-CG 4.4Å; L2266-L2305 HydrophobicContact CD2-CD2 3.82Å; L2266-L2305 HydrophobicContact CD2-CG 3.79Å; L2266-L2305 HydrophobicContact CG-CD2 4.41Å; L2291-L2305 HydrophobicContact CD1-CD2 3.85Å; L2291-L2305 HydrophobicContact CG-CD2 4.3Å; L2294-L2305 HydrophobicContact CB-CD1 3.81Å; L2294-L2305 HydrophobicContact CB-CD2 4Å; L2294-L2305 HydrophobicContact CD1-CD2 4.28Å; F2295-L2305 HydrophobicContact CD1-CB 4.13Å; F2295-L2305 HydrophobicContact CD1-CD1 4Å; F2295-L2305 HydrophobicContact CE1-CB 3.54Å; F2295-L2305 HydrophobicContact CE1-CD1 4.27Å; F2295-L2305 HydrophobicContact CE2-CB 4.47Å; F2295-L2305 HydrophobicContact CG-CD1 4.32Å; F2295-L2305 HydrophobicContact CZ-CB 3.74Å; A2301-L2305 HydrophobicContact CB-CD1 3.92Å; A2301-L2305 HydrophobicContact CB-CG 4.17Å; A2301-L2305 PolarHBondContact O-N 2.95Å; H2302-L2305 PolarHBondContact O-N 2.85Å; L2305-T2308 PolarHBondContact O-N 3.29Å; L2305-M2309 WeakPolarHBondContact O-CB 3.27Å; L2305-M2309 WeakPolarHBondContact O-CG 3.44Å; L2305-M2309 PolarHBondContact O-N 3.25Å |
| 2306 | I | 95.4 | Very high | 91.8 | Very high | 1.5 Ų | 1.5 | 44.8 Ų | 44.8 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.6 | -49 | 178.2 | -69.2 | 160 | 0 | 0 | 0 | 110.6 | F2295 H2302 L2303 V2304 T2308 M2309 E2310 T2343 A2346 T2347 L2350 | F2295-I2306 HydrophobicContact CE1-CG1 3.94Å; F2295-I2306 HydrophobicContact CZ-CG1 4.41Å; H2302-I2306 WeakPolarHBondContact O-CB 3.39Å; H2302-I2306 VanDerWaalsContact O-CD1 3.3Å; H2302-I2306 WeakPolarHBondContact O-CD1 3.33Å; H2302-I2306 WeakPolarHBondContact O-CG1 3.34Å; H2302-I2306 PolarHBondContact O-N 3.15Å; L2303-I2306 PolarHBondContact O-N 2.93Å; V2304-I2306 PolarHBondContact O-N 3.38Å; I2306-T2308 VanDerWaalsContact C-N 3.31Å; I2306-T2308 PolarHBondContact O-N 3.12Å; I2306-M2309 PolarHBondContact O-N 3.34Å; I2306-E2310 PolarHBondContact O-N 3.01Å; I2306-T2343 HydrophobicContact CD1-CG2 3.94Å; I2306-A2346 HydrophobicContact CD1-CB 4.24Å; I2306-A2346 HydrophobicContact CG2-CB 3.79Å; I2306-A2346 WeakPolarHBondContact CG2-O 3.44Å; I2306-T2347 WeakPolarHBondContact CD1-OG1 3.41Å; I2306-L2350 HydrophobicContact CB-CD2 4.5Å; I2306-L2350 HydrophobicContact CG2-CB 4.08Å; I2306-L2350 HydrophobicContact CG2-CD2 4.08Å |
| 2307 | Q | 93.2 | Very high | 91.9 | Very high | 80 Ų | 80 | 47 Ų | 47 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61 | -40.8 | 177.6 | -72.5 | 171.5 | -8.3 | 0 | 0 | 112 | Q2270 L2303 V2304 E2310 H2311 | Q2270-Q2307 VanDerWaalsContact NE2-OE1 3.11Å; L2303-Q2307 VanDerWaalsContact O-CG 3.27Å; L2303-Q2307 WeakPolarHBondContact O-CG 3.36Å; L2303-Q2307 PolarHBondContact O-N 3.37Å; V2304-Q2307 PolarHBondContact O-N 3.05Å; Q2307-E2310 WeakPolarHBondContact O-CB 3.21Å; Q2307-E2310 PolarHBondContact O-N 3.31Å; Q2307-H2311 PolarHBondContact O-N 3.39Å; Q2307-H2311 PolarHBondContact O-ND1 3Å |
| 2308 | T | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.7 | -47.3 | 175.6 | -54.5 | 0 | 0 | 0 | 0 | 110.2 | L2266 I2269 Q2270 L2291 V2304 L2305 I2306 E2310 H2311 L2312 | L2266-T2308 HydrophobicContact CD1-CG2 4.44Å; I2269-T2308 HydrophobicContact CG2-CG2 3.88Å; Q2270-T2308 HydrophobicContact CB-CG2 4.46Å; Q2270-T2308 WeakPolarHBondContact CB-OG1 3.42Å; Q2270-T2308 WeakPolarHBondContact CG-OG1 3.39Å; L2291-T2308 HydrophobicContact CD2-CG2 4.46Å; V2304-T2308 WeakPolarHBondContact O-CB 3.28Å; V2304-T2308 PolarHBondContact O-N 3.22Å; V2304-T2308 PolarHBondContact O-OG1 3.41Å; L2305-T2308 PolarHBondContact O-N 3.29Å; I2306-T2308 VanDerWaalsContact C-N 3.31Å; I2306-T2308 PolarHBondContact O-N 3.12Å; T2308-E2310 VanDerWaalsContact C-N 3.28Å; T2308-E2310 PolarHBondContact O-N 3.12Å; T2308-H2311 WeakPolarHBondContact O-CB 3.27Å; T2308-H2311 PolarHBondContact O-N 2.76Å; T2308-H2311 VanDerWaalsContact O-N 3.13Å; T2308-L2312 HydrophobicContact CG2-CD1 4.1Å; T2308-L2312 HydrophobicContact CG2-CG 4.36Å; T2308-L2312 VanDerWaalsContact O-CG 3.29Å; T2308-L2312 WeakPolarHBondContact O-CG 3.46Å; T2308-L2312 PolarHBondContact O-N 3.15Å |
| 2309 | M | 94.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.1 | -36.4 | 177.6 | -73.9 | -66.3 | 167.2 | 0 | 0 | 112.3 | L2288 L2291 V2292 F2295 L2305 I2306 H2311 L2312 I2313 F2322 L2350 | L2288-M2309 HydrophobicContact CD1-CE 4.15Å; L2291-M2309 HydrophobicContact CB-CE 4.19Å; L2291-M2309 HydrophobicContact CD2-CE 3.47Å; L2291-M2309 VanDerWaalsContact CD2-CE 3.47Å; L2291-M2309 HydrophobicContact CD2-SD 4.48Å; L2291-M2309 HydrophobicContact CG-CE 3.57Å; V2292-M2309 HydrophobicContact CG2-CE 3.82Å; F2295-M2309 HydrophobicContact CE2-CE 4.11Å; F2295-M2309 HydrophobicContact CE2-CG 3.89Å; F2295-M2309 HydrophobicContact CZ-CG 3.86Å; L2305-M2309 WeakPolarHBondContact O-CB 3.27Å; L2305-M2309 WeakPolarHBondContact O-CG 3.44Å; L2305-M2309 PolarHBondContact O-N 3.25Å; I2306-M2309 PolarHBondContact O-N 3.34Å; M2309-H2311 VanDerWaalsContact C-N 3.27Å; M2309-H2311 PolarHBondContact O-N 3.27Å; M2309-L2312 HydrophobicContact CE-CD1 4.3Å; M2309-L2312 PolarHBondContact O-N 3.22Å; M2309-L2312 VanDerWaalsContact O-N 3.08Å; M2309-L2312 HydrophobicContact SD-CD1 3.9Å; M2309-I2313 WeakPolarHBondContact O-CG1 3.44Å; M2309-I2313 WeakPolarHBondContact O-CG2 3.37Å; M2309-I2313 PolarHBondContact O-N 3.35Å; M2309-F2322 HydrophobicContact CE-CD2 4.35Å; M2309-F2322 HydrophobicContact CE-CE2 4.42Å; M2309-F2322 HydrophobicContact CG-CE2 4.33Å; M2309-F2322 HydrophobicContact SD-CD2 3.7Å; M2309-F2322 HydrophobicContact SD-CE2 3.92Å; M2309-L2350 HydrophobicContact CB-CD1 4.12Å; M2309-L2350 HydrophobicContact CB-CD2 3.71Å |
| 2310 | E | 93.5 | Very high | 92.6 | Very high | 83 Ų | 83 | 44.6 Ų | 44.6 | 39% | 0.388 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.4 | -41 | 176.2 | -167 | 178.6 | 176.8 | 0 | 0 | 111.7 | I2306 Q2307 T2308 I2313 L2350 H2353 | I2306-E2310 PolarHBondContact O-N 3.01Å; Q2307-E2310 WeakPolarHBondContact O-CB 3.21Å; Q2307-E2310 PolarHBondContact O-N 3.31Å; T2308-E2310 VanDerWaalsContact C-N 3.28Å; T2308-E2310 PolarHBondContact O-N 3.12Å; E2310-I2313 WeakPolarHBondContact O-CG1 3.42Å; E2310-L2350 HydrophobicContact CB-CD1 4.12Å; E2310-H2353 IonicContact OE1-CE1 3.46Å |
| 2311 | H | 92.8 | Very high | 92.8 | Very high | 67.5 Ų | 67.5 | 35.5 Ų | 35.5 | 31% | 0.313 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -69.8 | -44.7 | 171.6 | -54.7 | 142.6 | 0 | 0 | 0 | 112.1 | S2273 Q2307 T2308 M2309 I2313 S2314 | S2273-H2311 PolarHBondContact OG-ND1 3.23Å; Q2307-H2311 PolarHBondContact O-N 3.39Å; Q2307-H2311 PolarHBondContact O-ND1 3Å; T2308-H2311 WeakPolarHBondContact O-CB 3.27Å; T2308-H2311 PolarHBondContact O-N 2.76Å; T2308-H2311 VanDerWaalsContact O-N 3.13Å; M2309-H2311 VanDerWaalsContact C-N 3.27Å; M2309-H2311 PolarHBondContact O-N 3.27Å; H2311-I2313 PolarHBondContact O-N 3.37Å; H2311-S2314 VanDerWaalsContact O-CB 3.26Å; H2311-S2314 WeakPolarHBondContact O-CB 3.3Å; H2311-S2314 PolarHBondContact O-N 3.13Å; H2311-S2314 PolarHBondContact O-OG 3.3Å |
| 2312 | L | 93.4 | Very high | 93 | Very high | 1.5 Ų | 1.5 | 35.5 Ų | 35.5 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.8 | -41.9 | -176.5 | -63.8 | 176.6 | 0 | 0 | 0 | 112.6 | L2279 M2282 L2288 L2291 T2308 M2309 S2314 S2315 L2318 | L2279-L2312 HydrophobicContact CD2-CD2 3.49Å; L2279-L2312 HydrophobicContact CD2-CG 4.49Å; M2282-L2312 HydrophobicContact SD-CD2 3.64Å; M2282-L2312 VanDerWaalsContact SD-CD2 3.6Å; L2288-L2312 HydrophobicContact CD1-CD1 3.8Å; L2291-L2312 HydrophobicContact CD2-CD1 3.46Å; L2291-L2312 VanDerWaalsContact CD2-CD1 3.46Å; T2308-L2312 HydrophobicContact CG2-CD1 4.1Å; T2308-L2312 HydrophobicContact CG2-CG 4.36Å; T2308-L2312 VanDerWaalsContact O-CG 3.29Å; T2308-L2312 WeakPolarHBondContact O-CG 3.46Å; T2308-L2312 PolarHBondContact O-N 3.15Å; M2309-L2312 HydrophobicContact CE-CD1 4.3Å; M2309-L2312 PolarHBondContact O-N 3.22Å; M2309-L2312 VanDerWaalsContact O-N 3.08Å; M2309-L2312 HydrophobicContact SD-CD1 3.9Å; L2312-S2314 PolarHBondContact O-N 3.01Å; L2312-S2314 VanDerWaalsContact O-N 3.13Å; L2312-S2315 PolarHBondContact O-N 3.36Å; L2312-L2318 HydrophobicContact CB-CB 4.47Å; L2312-L2318 HydrophobicContact CB-CD1 4.03Å; L2312-L2318 HydrophobicContact CD2-CD1 3.86Å; L2312-L2318 HydrophobicContact CG-CD1 4.48Å; L2312-L2318 WeakPolarHBondContact O-CB 3.39Å; L2312-L2318 WeakPolarHBondContact O-CD1 3.44Å |
| 2313 | I | 92 | Very high | 92.9 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 6% | 0.062 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -10.8 | -177.6 | 64.8 | 164.1 | 0 | 0 | 0 | 113.8 | M2309 E2310 H2311 S2315 L2319 L2350 H2353 | M2309-I2313 WeakPolarHBondContact O-CG1 3.44Å; M2309-I2313 WeakPolarHBondContact O-CG2 3.37Å; M2309-I2313 PolarHBondContact O-N 3.35Å; E2310-I2313 WeakPolarHBondContact O-CG1 3.42Å; H2311-I2313 PolarHBondContact O-N 3.37Å; I2313-S2315 PolarHBondContact O-N 3.24Å; I2313-L2319 HydrophobicContact CB-CB 4.34Å; I2313-L2319 HydrophobicContact CB-CD1 4.2Å; I2313-L2319 HydrophobicContact CG2-CB 4.44Å; I2313-L2319 HydrophobicContact CG2-CD1 3.91Å; I2313-L2350 HydrophobicContact CD1-CD1 3.54Å; I2313-L2350 HydrophobicContact CG1-CD1 4.18Å; I2313-H2353 HydrophobicContact CD1-CB 3.69Å |
| 2314 | S | 89.7 | Confident | 92.9 | Very high | 88.5 Ų | 88.5 | 35.6 Ų | 35.6 | 62% | 0.619 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -30.1 | 169.1 | 71.9 | 0 | 0 | 0 | 0 | 111.3 | L2279 H2311 L2312 | L2279-S2314 WeakPolarHBondContact CD1-OG 3.38Å; H2311-S2314 VanDerWaalsContact O-CB 3.26Å; H2311-S2314 WeakPolarHBondContact O-CB 3.3Å; H2311-S2314 PolarHBondContact O-N 3.13Å; H2311-S2314 PolarHBondContact O-OG 3.3Å; L2312-S2314 PolarHBondContact O-N 3.01Å; L2312-S2314 VanDerWaalsContact O-N 3.13Å |
| 2315 | S | 92 | Very high | 92.9 | Very high | 23 Ų | 23 | 33.8 Ų | 33.8 | 16% | 0.161 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -82.7 | 121 | 168.2 | 177.3 | 0 | 0 | 0 | 0 | 111 | L2312 I2313 L2317 L2318 L2319 | L2312-S2315 PolarHBondContact O-N 3.36Å; I2313-S2315 PolarHBondContact O-N 3.24Å; S2315-L2317 PolarHBondContact O-N 3.18Å; S2315-L2317 PolarHBondContact OG-N 3.07Å; S2315-L2318 PolarHBondContact O-N 3.11Å; S2315-L2319 PolarHBondContact O-N 2.85Å |
| 2316 | S | 90.3 | Very high | 92.7 | Very high | 41.5 Ų | 41.5 | 33.8 Ų | 33.8 | 29% | 0.29 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61 | -25.1 | 176 | 57.6 | 0 | 0 | 0 | 0 | 113.6 | K2320 F2360 | S2316-K2320 WeakPolarHBondContact O-CB 3.43Å; S2316-K2320 PolarHBondContact O-N 3.25Å; S2316-K2320 VanDerWaalsContact O-N 3.14Å; S2316-F2360 WeakPolarHBondContact O-CE2 3.45Å |
| 2317 | L | 92.4 | Very high | 92.6 | Very high | 102 Ų | 102 | 33.7 Ų | 33.7 | 53% | 0.534 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -73.1 | -45.7 | 176.9 | -63.8 | 176 | 0 | 0 | 0 | 111.1 | A2283 S2315 K2320 E2321 | A2283-L2317 HydrophobicContact CB-CB 3.95Å; A2283-L2317 HydrophobicContact CB-CD1 4.25Å; S2315-L2317 PolarHBondContact O-N 3.18Å; S2315-L2317 PolarHBondContact OG-N 3.07Å; L2317-K2320 WeakPolarHBondContact O-CB 3.19Å; L2317-K2320 PolarHBondContact O-N 3Å; L2317-E2321 PolarHBondContact O-N 3.18Å |
| 2318 | L | 93.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.7 | -37.7 | 176.8 | -66.8 | 173.4 | 0 | 0 | 0 | 111.6 | L2279 M2282 A2283 L2288 L2312 S2315 K2320 E2321 F2322 | L2279-L2318 HydrophobicContact CB-CD1 4.2Å; L2279-L2318 HydrophobicContact CD2-CD1 4.01Å; M2282-L2318 HydrophobicContact CB-CD2 4.43Å; A2283-L2318 HydrophobicContact CB-CD2 3.88Å; A2283-L2318 HydrophobicContact CB-CG 3.97Å; L2288-L2318 HydrophobicContact CD2-CB 4.27Å; L2288-L2318 HydrophobicContact CD2-CD2 4.2Å; L2288-L2318 VanDerWaalsContact CD2-O 3.24Å; L2288-L2318 WeakPolarHBondContact CD2-O 3.42Å; L2312-L2318 HydrophobicContact CB-CB 4.47Å; L2312-L2318 HydrophobicContact CB-CD1 4.03Å; L2312-L2318 HydrophobicContact CD2-CD1 3.86Å; L2312-L2318 HydrophobicContact CG-CD1 4.48Å; L2312-L2318 WeakPolarHBondContact O-CB 3.39Å; L2312-L2318 WeakPolarHBondContact O-CD1 3.44Å; S2315-L2318 PolarHBondContact O-N 3.11Å; L2318-K2320 VanDerWaalsContact C-N 3.28Å; L2318-K2320 PolarHBondContact O-N 3.01Å; L2318-E2321 PolarHBondContact O-N 3.24Å; L2318-F2322 WeakPolarHBondContact O-CB 3.31Å; L2318-F2322 PolarHBondContact O-N 3.09Å |
| 2319 | L | 94.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.9 | -40.3 | 171.9 | 177.5 | 59.7 | 0 | 0 | 0 | 111.7 | I2313 S2315 F2322 I2323 C2354 N2357 F2360 I2364 | I2313-L2319 HydrophobicContact CB-CB 4.34Å; I2313-L2319 HydrophobicContact CB-CD1 4.2Å; I2313-L2319 HydrophobicContact CG2-CB 4.44Å; I2313-L2319 HydrophobicContact CG2-CD1 3.91Å; S2315-L2319 PolarHBondContact O-N 2.85Å; L2319-F2322 HydrophobicContact CD1-CD1 4.41Å; L2319-F2322 PolarHBondContact O-N 3.23Å; L2319-I2323 HydrophobicContact CD1-CD1 4.36Å; L2319-I2323 HydrophobicContact CD1-CG1 4.44Å; L2319-I2323 HydrophobicContact CG-CD1 4.25Å; L2319-I2323 WeakPolarHBondContact O-CD1 3.33Å; L2319-I2323 VanDerWaalsContact O-CG1 3.26Å; L2319-I2323 WeakPolarHBondContact O-CG1 3.32Å; L2319-I2323 PolarHBondContact O-N 3.11Å; L2319-I2323 VanDerWaalsContact O-N 3.08Å; L2319-C2354 HydrophobicContact CD1-CB 4.34Å; L2319-N2357 HydrophobicContact CD2-CB 3.69Å; L2319-N2357 VanDerWaalsContact CD2-CG 3.44Å; L2319-N2357 WeakPolarHBondContact CD2-ND2 3.34Å; L2319-F2360 HydrophobicContact CD2-CB 4.29Å; L2319-F2360 HydrophobicContact CD2-CD2 4.1Å; L2319-F2360 HydrophobicContact CG-CD2 4.32Å; L2319-I2364 HydrophobicContact CD1-CD1 4.36Å; L2319-I2364 HydrophobicContact CD2-CD1 4.49Å |
| 2320 | K | 92.2 | Very high | 92.6 | Very high | 94 Ų | 94 | 30.2 Ų | 30.2 | 41% | 0.409 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61.5 | -47.2 | 175.2 | -178.2 | -173.4 | 174.3 | -172.4 | 0 | 110.9 | S2316 L2317 L2318 I2323 Y2324 F2360 | S2316-K2320 WeakPolarHBondContact O-CB 3.43Å; S2316-K2320 PolarHBondContact O-N 3.25Å; S2316-K2320 VanDerWaalsContact O-N 3.14Å; L2317-K2320 WeakPolarHBondContact O-CB 3.19Å; L2317-K2320 PolarHBondContact O-N 3Å; L2318-K2320 VanDerWaalsContact C-N 3.28Å; L2318-K2320 PolarHBondContact O-N 3.01Å; K2320-I2323 PolarHBondContact O-N 3.23Å; K2320-Y2324 HydrophobicContact CD-CE2 4.29Å; K2320-Y2324 HydrophobicContact CG-CD2 3.83Å; K2320-Y2324 HydrophobicContact CG-CE2 3.58Å; K2320-Y2324 WeakPolarHBondContact O-CD2 3.24Å; K2320-Y2324 PolarHBondContact O-N 3.1Å; K2320-Y2324 VanDerWaalsContact O-N 3.14Å; K2320-F2360 HydrophobicContact CB-CE1 4.31Å; K2320-F2360 HydrophobicContact CB-CE2 3.97Å; K2320-F2360 HydrophobicContact CB-CZ 3.69Å; K2320-F2360 HydrophobicContact CD-CZ 4.1Å; K2320-F2360 HydrophobicContact CG-CE1 4.18Å; K2320-F2360 HydrophobicContact CG-CZ 3.89Å |
| 2321 | E | 92 | Very high | 92.7 | Very high | 37.5 Ų | 37.5 | 26.2 Ų | 26.2 | 18% | 0.175 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.4 | -43.3 | 176.2 | -72.6 | -172.6 | -171 | 0 | 0 | 112 | H2286 L2288 L2317 L2318 I2323 Y2324 A2325 | H2286-E2321 IonicContact CE1-OE1 3.63Å; H2286-E2321 IonicContact CG-OE1 2.66Å; H2286-E2321 IonicContact ND1-OE1 3.27Å; H2286-E2321 PolarHBondContact ND1-OE1 3.28Å; L2288-E2321 HydrophobicContact CB-CB 4.14Å; L2288-E2321 WeakPolarHBondContact CB-OE2 3.43Å; L2288-E2321 HydrophobicContact CD2-CB 3.74Å; L2317-E2321 PolarHBondContact O-N 3.18Å; L2318-E2321 PolarHBondContact O-N 3.24Å; E2321-I2323 VanDerWaalsContact C-N 3.31Å; E2321-I2323 PolarHBondContact O-N 3.06Å; E2321-Y2324 CarbonylContact O-C 3.53Å; E2321-Y2324 PolarHBondContact O-N 3.35Å; E2321-Y2324 VanDerWaalsContact O-N 3.08Å; E2321-A2325 WeakPolarHBondContact O-CB 3.42Å; E2321-A2325 PolarHBondContact O-N 3.39Å |
| 2322 | F | 94.4 | Very high | 92.7 | Very high | 0.5 Ų | 0.5 | 23.1 Ų | 23.1 | 0% | 0.002 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.7 | -43.4 | 177.3 | 178.1 | -102.3 | 0 | 0 | 0 | 112.1 | L2288 V2292 F2295 M2309 L2318 L2319 A2325 G2327 L2328 L2331 | L2288-F2322 HydrophobicContact CD2-CB 4.06Å; V2292-F2322 HydrophobicContact CG2-CD2 3.72Å; V2292-F2322 HydrophobicContact CG2-CE2 4.15Å; F2295-F2322 HydrophobicContact CE2-CE2 4.14Å; M2309-F2322 HydrophobicContact CE-CD2 4.35Å; M2309-F2322 HydrophobicContact CE-CE2 4.42Å; M2309-F2322 HydrophobicContact CG-CE2 4.33Å; M2309-F2322 HydrophobicContact SD-CD2 3.7Å; M2309-F2322 HydrophobicContact SD-CE2 3.92Å; L2318-F2322 WeakPolarHBondContact O-CB 3.31Å; L2318-F2322 PolarHBondContact O-N 3.09Å; L2319-F2322 HydrophobicContact CD1-CD1 4.41Å; L2319-F2322 PolarHBondContact O-N 3.23Å; F2322-A2325 PolarHBondContact O-N 3.03Å; F2322-G2327 VanDerWaalsContact CE2-CA 3.48Å; F2322-G2327 VanDerWaalsContact CZ-C 3.42Å; F2322-G2327 WeakPolarHBondContact O-CA 3.44Å; F2322-G2327 PolarHBondContact O-N 2.93Å; F2322-L2328 HydrophobicContact CE1-CD2 4.29Å; F2322-L2331 HydrophobicContact CE1-CD1 4.03Å; F2322-L2331 HydrophobicContact CZ-CD1 3.6Å; F2322-L2331 HydrophobicContact CZ-CD2 4.49Å; F2322-L2331 HydrophobicContact CZ-CG 3.89Å |
| 2323 | I | 92.6 | Very high | 92.7 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.4 | -46.4 | 175.6 | -64.4 | 162 | 0 | 0 | 0 | 110.6 | L2319 K2320 E2321 A2325 G2326 L2328 F2360 I2364 I2367 | L2319-I2323 HydrophobicContact CD1-CD1 4.36Å; L2319-I2323 HydrophobicContact CD1-CG1 4.44Å; L2319-I2323 HydrophobicContact CG-CD1 4.25Å; L2319-I2323 WeakPolarHBondContact O-CD1 3.33Å; L2319-I2323 VanDerWaalsContact O-CG1 3.26Å; L2319-I2323 WeakPolarHBondContact O-CG1 3.32Å; L2319-I2323 PolarHBondContact O-N 3.11Å; L2319-I2323 VanDerWaalsContact O-N 3.08Å; K2320-I2323 PolarHBondContact O-N 3.23Å; E2321-I2323 VanDerWaalsContact C-N 3.31Å; E2321-I2323 PolarHBondContact O-N 3.06Å; I2323-A2325 VanDerWaalsContact C-N 3.31Å; I2323-A2325 PolarHBondContact O-N 3.25Å; I2323-G2326 PolarHBondContact O-N 3.42Å; I2323-L2328 HydrophobicContact CG1-CD1 4.45Å; I2323-L2328 HydrophobicContact CG2-CD1 4.46Å; I2323-F2360 HydrophobicContact CD1-CB 3.8Å; I2323-F2360 HydrophobicContact CD1-CD1 4.21Å; I2323-F2360 HydrophobicContact CD1-CG 4Å; I2323-I2364 HydrophobicContact CD1-CD1 3.87Å; I2323-I2364 HydrophobicContact CD1-CG1 3.86Å; I2323-I2364 HydrophobicContact CG1-CD1 4.33Å; I2323-I2364 HydrophobicContact CG1-CG1 4.33Å; I2323-I2367 HydrophobicContact CG2-CD1 4.41Å |
| 2324 | Y | 91.7 | Very high | 92.8 | Very high | 68.5 Ų | 68.5 | 23.2 Ų | 23.2 | 27% | 0.269 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -72.3 | -21.9 | 179.9 | -73.7 | -63.4 | 0 | 0 | 0 | 113.5 | K2320 E2321 G2326 R2363 K2432 W2433 | K2320-Y2324 HydrophobicContact CD-CE2 4.29Å; K2320-Y2324 HydrophobicContact CG-CD2 3.83Å; K2320-Y2324 HydrophobicContact CG-CE2 3.58Å; K2320-Y2324 WeakPolarHBondContact O-CD2 3.24Å; K2320-Y2324 PolarHBondContact O-N 3.1Å; K2320-Y2324 VanDerWaalsContact O-N 3.14Å; E2321-Y2324 CarbonylContact O-C 3.53Å; E2321-Y2324 PolarHBondContact O-N 3.35Å; E2321-Y2324 VanDerWaalsContact O-N 3.08Å; Y2324-G2326 PolarHBondContact O-N 2.93Å; Y2324-R2363 PolarHBondContact OH-NH1 3.18Å; Y2324-K2432 HydrophobicContact CD1-CB 4.11Å; Y2324-K2432 HydrophobicContact CD1-CD 4.28Å; Y2324-K2432 HydrophobicContact CD1-CG 4.41Å; Y2324-K2432 HydrophobicContact CG-CD 4.42Å; Y2324-K2432 HydrophobicContact CG-CG 4.49Å; Y2324-K2432 CarbonylContact O-C 3.41Å; Y2324-K2432 WeakPolarHBondContact O-CA 3.26Å; Y2324-W2433 WeakPolarHBondContact O-CB 3.34Å; Y2324-W2433 PolarHBondContact O-N 3.26Å |
| 2325 | A | 91.8 | Very high | 93 | Very high | 2 Ų | 2 | 19 Ų | 19 | 2% | 0.017 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 4.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V2292 E2321 F2322 I2323 G2327 F2421 Q2425 | V2292-A2325 HydrophobicContact CB-CB 4.05Å; V2292-A2325 HydrophobicContact CG1-CB 4.09Å; V2292-A2325 WeakPolarHBondContact CG1-O 3.34Å; V2292-A2325 HydrophobicContact CG2-CB 3.97Å; E2321-A2325 WeakPolarHBondContact O-CB 3.42Å; E2321-A2325 PolarHBondContact O-N 3.39Å; F2322-A2325 PolarHBondContact O-N 3.03Å; I2323-A2325 VanDerWaalsContact C-N 3.31Å; I2323-A2325 PolarHBondContact O-N 3.25Å; A2325-G2327 VanDerWaalsContact C-N 3.33Å; A2325-F2421 WeakPolarHBondContact O-CE1 3.32Å; A2325-Q2425 PolarHBondContact O-NE2 2.74Å |
| 2326 | G | 91.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 17.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | I2323 Y2324 L2328 I2329 Y2330 | I2323-G2326 PolarHBondContact O-N 3.42Å; Y2324-G2326 PolarHBondContact O-N 2.93Å; G2326-L2328 PolarHBondContact O-N 3.47Å; G2326-L2328 VanDerWaalsContact O-N 3.12Å; G2326-I2329 WeakPolarHBondContact O-CG1 3.36Å; G2326-I2329 PolarHBondContact O-N 3.21Å; G2326-I2329 VanDerWaalsContact O-N 3.08Å; G2326-Y2330 VanDerWaalsContact O-CD2 3.24Å; G2326-Y2330 WeakPolarHBondContact O-CD2 3.44Å; G2326-Y2330 PolarHBondContact O-N 3.29Å |
| 2327 | G | 93.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -53.6 | -38.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | F2322 A2325 I2329 Y2330 L2331 | F2322-G2327 VanDerWaalsContact CE2-CA 3.48Å; F2322-G2327 VanDerWaalsContact CZ-C 3.42Å; F2322-G2327 WeakPolarHBondContact O-CA 3.44Å; F2322-G2327 PolarHBondContact O-N 2.93Å; A2325-G2327 VanDerWaalsContact C-N 3.33Å; G2327-I2329 PolarHBondContact O-N 2.8Å; G2327-Y2330 PolarHBondContact O-N 3.36Å; G2327-L2331 WeakPolarHBondContact O-CG 3.24Å; G2327-L2331 PolarHBondContact O-N 2.93Å |
| 2328 | L | 93.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.8 | -39.1 | 179 | -64 | 175.4 | 0 | 0 | 0 | 113.2 | F2322 I2323 G2326 M2332 I2364 I2367 | F2322-L2328 HydrophobicContact CE1-CD2 4.29Å; I2323-L2328 HydrophobicContact CG1-CD1 4.45Å; I2323-L2328 HydrophobicContact CG2-CD1 4.46Å; G2326-L2328 PolarHBondContact O-N 3.47Å; G2326-L2328 VanDerWaalsContact O-N 3.12Å; L2328-M2332 WeakPolarHBondContact O-CB 3.41Å; L2328-M2332 WeakPolarHBondContact O-CG 3.34Å; L2328-M2332 PolarHBondContact O-N 3.26Å; L2328-I2364 HydrophobicContact CD1-CB 4.49Å; L2328-I2364 HydrophobicContact CD1-CG1 4.25Å; L2328-I2364 HydrophobicContact CD1-CG2 4.05Å; L2328-I2364 HydrophobicContact CD2-CG2 3.95Å; L2328-I2367 HydrophobicContact CD1-CB 4.47Å; L2328-I2367 HydrophobicContact CD1-CD1 4.2Å; L2328-I2367 HydrophobicContact CD1-CG2 4.1Å |
| 2329 | I | 92.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -71.6 | -35.1 | 179.8 | 56.9 | 161.8 | 0 | 0 | 0 | 111.5 | G2326 G2327 M2332 S2333 Y2371 T2418 F2421 W2433 | G2326-I2329 WeakPolarHBondContact O-CG1 3.36Å; G2326-I2329 PolarHBondContact O-N 3.21Å; G2326-I2329 VanDerWaalsContact O-N 3.08Å; G2327-I2329 PolarHBondContact O-N 2.8Å; I2329-M2332 PolarHBondContact O-N 3.26Å; I2329-S2333 WeakPolarHBondContact O-CB 3.39Å; I2329-S2333 PolarHBondContact O-N 2.99Å; I2329-Y2371 HydrophobicContact CG2-CE2 4.39Å; I2329-T2418 HydrophobicContact CB-CG2 4.2Å; I2329-T2418 HydrophobicContact CD1-CG2 4.1Å; I2329-T2418 HydrophobicContact CG1-CG2 4.22Å; I2329-F2421 HydrophobicContact CD1-CB 4.16Å; I2329-F2421 HydrophobicContact CD1-CD1 4.04Å; I2329-F2421 HydrophobicContact CD1-CG 4.31Å; I2329-W2433 HydrophobicContact CG2-CH2 3.92Å; I2329-W2433 HydrophobicContact CG2-CZ2 3.3Å |
| 2330 | Y | 94.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.2 | -46.9 | 175.1 | -68.4 | -60.4 | 0 | 0 | 0 | 111.5 | V2292 F2295 F2296 G2326 G2327 M2332 S2333 I2334 T2418 F2421 Y2422 Q2425 | V2292-Y2330 HydrophobicContact CG1-CD2 3.66Å; V2292-Y2330 HydrophobicContact CG1-CE2 3.99Å; F2295-Y2330 HydrophobicContact CB-CG 4.25Å; F2296-Y2330 HydrophobicContact CB-CD1 4.11Å; F2296-Y2330 HydrophobicContact CB-CE1 3.73Å; F2296-Y2330 HydrophobicContact CD2-CE1 4.05Å; F2296-Y2330 HydrophobicContact CG-CE1 4.22Å; G2326-Y2330 VanDerWaalsContact O-CD2 3.24Å; G2326-Y2330 WeakPolarHBondContact O-CD2 3.44Å; G2326-Y2330 PolarHBondContact O-N 3.29Å; G2327-Y2330 PolarHBondContact O-N 3.36Å; Y2330-M2332 VanDerWaalsContact C-N 3.35Å; Y2330-M2332 PolarHBondContact O-N 3.15Å; Y2330-S2333 WeakPolarHBondContact O-CB 3.05Å; Y2330-S2333 PolarHBondContact O-N 3.07Å; Y2330-I2334 WeakPolarHBondContact O-CG1 3.23Å; Y2330-I2334 PolarHBondContact O-N 3.09Å; Y2330-T2418 HydrophobicContact CD1-CG2 3.94Å; Y2330-T2418 HydrophobicContact CE1-CG2 4.13Å; Y2330-F2421 HydrophobicContact CE2-CD1 4.38Å; Y2330-Y2422 WeakPolarHBondContact OH-CA 3.44Å; Y2330-Y2422 WeakPolarHBondContact OH-CB 3.24Å; Y2330-Y2422 PolarHBondContact OH-N 2.92Å; Y2330-Q2425 PolarHBondContact OH-OE1 3.45Å |
| 2331 | L | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 175.7 | -64.9 | -172.5 | 0 | 0 | 0 | 111.9 | F2295 F2322 G2327 S2333 I2334 I2335 T2347 L2350 I2351 | F2295-L2331 HydrophobicContact CD1-CD2 4.34Å; F2295-L2331 HydrophobicContact CE1-CD2 3.8Å; F2295-L2331 HydrophobicContact CE2-CD2 4.16Å; F2295-L2331 HydrophobicContact CZ-CD2 3.69Å; F2322-L2331 HydrophobicContact CE1-CD1 4.03Å; F2322-L2331 HydrophobicContact CZ-CD1 3.6Å; F2322-L2331 HydrophobicContact CZ-CD2 4.49Å; F2322-L2331 HydrophobicContact CZ-CG 3.89Å; G2327-L2331 WeakPolarHBondContact O-CG 3.24Å; G2327-L2331 PolarHBondContact O-N 2.93Å; L2331-S2333 VanDerWaalsContact C-N 3.3Å; L2331-S2333 PolarHBondContact O-N 3.46Å; L2331-I2334 WeakPolarHBondContact O-CB 3.4Å; L2331-I2334 PolarHBondContact O-N 3.28Å; L2331-I2334 VanDerWaalsContact O-N 3.15Å; L2331-I2335 PolarHBondContact O-N 3.17Å; L2331-T2347 HydrophobicContact CB-CG2 3.59Å; L2331-T2347 HydrophobicContact CD2-CG2 3.95Å; L2331-T2347 HydrophobicContact CG-CG2 4.19Å; L2331-T2347 VanDerWaalsContact O-CG2 3.31Å; L2331-T2347 WeakPolarHBondContact O-CG2 3.25Å; L2331-L2350 HydrophobicContact CD1-CD2 3.63Å; L2331-L2350 HydrophobicContact CD1-CG 4.04Å; L2331-L2350 HydrophobicContact CD2-CD2 3.98Å; L2331-L2350 HydrophobicContact CG-CD2 4.47Å; L2331-I2351 HydrophobicContact CB-CD1 3.98Å; L2331-I2351 HydrophobicContact CB-CG1 4.19Å; L2331-I2351 HydrophobicContact CD1-CD1 4.47Å; L2331-I2351 HydrophobicContact CD1-CG1 3.77Å |
| 2332 | M | 93.5 | Very high | 92.1 | Very high | 1.5 Ų | 1.5 | 33.9 Ų | 33.9 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.1 | -39.7 | 176.1 | -76.4 | -57.2 | -54.5 | 0 | 0 | 112.3 | L2328 I2329 Y2330 I2334 I2335 C2336 I2351 L2368 L2372 L2410 L2414 | L2328-M2332 WeakPolarHBondContact O-CB 3.41Å; L2328-M2332 WeakPolarHBondContact O-CG 3.34Å; L2328-M2332 PolarHBondContact O-N 3.26Å; I2329-M2332 PolarHBondContact O-N 3.26Å; Y2330-M2332 VanDerWaalsContact C-N 3.35Å; Y2330-M2332 PolarHBondContact O-N 3.15Å; M2332-I2334 VanDerWaalsContact C-N 3.33Å; M2332-I2334 PolarHBondContact O-N 3.16Å; M2332-I2335 PolarHBondContact O-N 3.2Å; M2332-I2335 HydrophobicContact SD-CD1 4.19Å; M2332-C2336 PolarHBondContact O-N 2.95Å; M2332-C2336 PolarHBondContact O-SG 3.4Å; M2332-I2351 HydrophobicContact SD-CD1 3.94Å; M2332-L2368 HydrophobicContact CG-CD2 3.91Å; M2332-L2368 HydrophobicContact SD-CD2 3.84Å; M2332-L2372 HydrophobicContact CE-CD1 3.52Å; M2332-L2372 HydrophobicContact CE-CD2 3.91Å; M2332-L2372 HydrophobicContact CE-CG 3.58Å; M2332-L2372 HydrophobicContact SD-CD1 4.01Å; M2332-L2410 HydrophobicContact CE-CD2 4.48Å; M2332-L2414 HydrophobicContact CB-CD1 3.89Å; M2332-L2414 HydrophobicContact CB-CD2 3.91Å |
| 2333 | S | 93.9 | Very high | 92 | Very high | 9 Ų | 9 | 34.5 Ų | 34.5 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61 | -42.2 | 174.3 | -165.8 | 0 | 0 | 0 | 0 | 111.6 | I2329 Y2330 L2331 I2335 C2336 Q2337 | I2329-S2333 WeakPolarHBondContact O-CB 3.39Å; I2329-S2333 PolarHBondContact O-N 2.99Å; Y2330-S2333 WeakPolarHBondContact O-CB 3.05Å; Y2330-S2333 PolarHBondContact O-N 3.07Å; L2331-S2333 VanDerWaalsContact C-N 3.3Å; L2331-S2333 PolarHBondContact O-N 3.46Å; S2333-I2335 PolarHBondContact O-N 3.4Å; S2333-C2336 PolarHBondContact O-N 3.32Å; S2333-C2336 VanDerWaalsContact O-N 3.17Å; S2333-Q2337 WeakPolarHBondContact O-CB 3.47Å; S2333-Q2337 VanDerWaalsContact O-CG 3.3Å; S2333-Q2337 WeakPolarHBondContact O-CG 3.27Å; S2333-Q2337 PolarHBondContact O-N 3.33Å; S2333-Q2337 PolarHBondContact OG-NE2 3.38Å; S2333-Q2337 PolarHBondContact OG-OE1 3.07Å |
| 2334 | I | 93.7 | Very high | 92.1 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.8 | -43 | 177.8 | -66.7 | 168.4 | 0 | 0 | 0 | 111.6 | F2295 Y2330 L2331 M2332 C2336 Q2337 S2338 T2343 T2347 | F2295-I2334 HydrophobicContact CB-CD1 4.21Å; F2295-I2334 HydrophobicContact CD1-CD1 3.4Å; F2295-I2334 VanDerWaalsContact CD1-CD1 3.4Å; F2295-I2334 HydrophobicContact CE1-CD1 4.08Å; F2295-I2334 HydrophobicContact CG-CD1 4.14Å; Y2330-I2334 WeakPolarHBondContact O-CG1 3.23Å; Y2330-I2334 PolarHBondContact O-N 3.09Å; L2331-I2334 WeakPolarHBondContact O-CB 3.4Å; L2331-I2334 PolarHBondContact O-N 3.28Å; L2331-I2334 VanDerWaalsContact O-N 3.15Å; M2332-I2334 VanDerWaalsContact C-N 3.33Å; M2332-I2334 PolarHBondContact O-N 3.16Å; I2334-C2336 PolarHBondContact O-N 2.9Å; I2334-Q2337 PolarHBondContact O-N 3.29Å; I2334-S2338 WeakPolarHBondContact O-CB 3.28Å; I2334-S2338 PolarHBondContact O-N 3.16Å; I2334-T2343 HydrophobicContact CG2-CG2 3.89Å; I2334-T2347 WeakPolarHBondContact CG2-OG1 3.36Å |
| 2335 | I | 93 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.4 | -38.1 | 175.6 | -70.3 | 171.8 | 0 | 0 | 0 | 111.2 | L2331 M2332 S2333 R2344 T2347 V2348 I2351 F2387 L2388 F2391 | L2331-I2335 PolarHBondContact O-N 3.17Å; M2332-I2335 PolarHBondContact O-N 3.2Å; M2332-I2335 HydrophobicContact SD-CD1 4.19Å; S2333-I2335 PolarHBondContact O-N 3.4Å; I2335-R2344 PolarHBondContact O-NE 3.15Å; I2335-R2344 PolarHBondContact O-NH2 3.25Å; I2335-T2347 HydrophobicContact CD1-CG2 3.95Å; I2335-T2347 HydrophobicContact CG1-CG2 3.64Å; I2335-V2348 HydrophobicContact CD1-CG2 3.73Å; I2335-V2348 HydrophobicContact CG1-CG2 4.06Å; I2335-I2351 HydrophobicContact CD1-CD1 3.59Å; I2335-F2387 HydrophobicContact CD1-CE1 4.44Å; I2335-F2387 HydrophobicContact CG2-CE1 3.87Å; I2335-F2387 HydrophobicContact CG2-CZ 4.33Å; I2335-L2388 HydrophobicContact CG2-CD2 4.43Å; I2335-F2391 HydrophobicContact CG2-CE1 4.36Å; I2335-F2391 HydrophobicContact CG2-CZ 4.36Å |
| 2336 | C | 91.5 | Very high | 92.4 | Very high | 26 Ų | 26 | 34.7 Ų | 34.7 | 18% | 0.176 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -82.1 | -27.6 | -177.2 | -65 | 0 | 0 | 0 | 0 | 114.2 | M2332 S2333 I2334 T2411 | M2332-C2336 PolarHBondContact O-N 2.95Å; M2332-C2336 PolarHBondContact O-SG 3.4Å; S2333-C2336 PolarHBondContact O-N 3.32Å; S2333-C2336 VanDerWaalsContact O-N 3.17Å; I2334-C2336 PolarHBondContact O-N 2.9Å; C2336-T2411 HydrophobicContact CB-CG2 4.24Å |
| 2337 | Q | 88.7 | Confident | 92.6 | Very high | 86 Ų | 86 | 34.7 Ų | 34.7 | 40% | 0.402 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -116.1 | -26.8 | -166.4 | -65.3 | 172.1 | 19.1 | 0 | 0 | 114.7 | S2333 I2334 S2339 T2411 N2415 | S2333-Q2337 WeakPolarHBondContact O-CB 3.47Å; S2333-Q2337 VanDerWaalsContact O-CG 3.3Å; S2333-Q2337 WeakPolarHBondContact O-CG 3.27Å; S2333-Q2337 PolarHBondContact O-N 3.33Å; S2333-Q2337 PolarHBondContact OG-NE2 3.38Å; S2333-Q2337 PolarHBondContact OG-OE1 3.07Å; I2334-Q2337 PolarHBondContact O-N 3.29Å; Q2337-S2339 PolarHBondContact O-N 3.11Å; Q2337-T2411 HydrophobicContact CG-CG2 3.79Å; Q2337-N2415 PolarHBondContact NE2-ND2 3.09Å; Q2337-N2415 VanDerWaalsContact NE2-ND2 3.11Å; Q2337-N2415 PolarHBondContact NE2-OD1 2.81Å |
| 2338 | S | 90.4 | Very high | 92.8 | Very high | 26.5 Ų | 26.5 | 34.7 Ų | 34.7 | 19% | 0.185 | 19% | 0.187 | C | C | . | . | trans | -63.7 | 131.5 | -178.5 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | I2334 Q2340 R2344 | I2334-S2338 WeakPolarHBondContact O-CB 3.28Å; I2334-S2338 PolarHBondContact O-N 3.16Å; S2338-Q2340 VanDerWaalsContact C-N 3.29Å; S2338-Q2340 PolarHBondContact OG-N 3.32Å; S2338-Q2340 VanDerWaalsContact OG-N 3.15Å; S2338-Q2340 PolarHBondContact OG-O 3.07Å; S2338-R2344 VanDerWaalsContact O-CD 3.31Å; S2338-R2344 WeakPolarHBondContact O-CD 3.48Å | ||
| 2339 | S | 86.3 | Confident | 92.9 | Very high | 129 Ų | 129 | 36.4 Ų | 36.4 | 90% | 0.902 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -76.8 | -19.7 | 171.9 | 52.7 | 0 | 0 | 0 | 0 | 112.4 | Q2337 | Q2337-S2339 PolarHBondContact O-N 3.11Š|
| 2340 | Q | 90.1 | Very high | 93 | Very high | 97 Ų | 97 | 36.4 Ų | 36.4 | 45% | 0.453 | 20% | 0.195 | S | C | . | . | trans | -90.3 | 114 | -174 | 179.4 | 61.1 | -11.1 | 0 | 0 | 111.3 | S2338 Q2342 T2343 R2344 | S2338-Q2340 VanDerWaalsContact C-N 3.29Å; S2338-Q2340 PolarHBondContact OG-N 3.32Å; S2338-Q2340 VanDerWaalsContact OG-N 3.15Å; S2338-Q2340 PolarHBondContact OG-O 3.07Å; Q2340-Q2342 VanDerWaalsContact C-N 3.28Å; Q2340-Q2342 HydrophobicContact CG-CB 4.09Å; Q2340-Q2342 PolarHBondContact O-N 3.25Å; Q2340-T2343 PolarHBondContact O-N 3.03Å; Q2340-T2343 VanDerWaalsContact O-N 3.12Å; Q2340-R2344 WeakPolarHBondContact O-CG 3.46Å; Q2340-R2344 PolarHBondContact O-N 3.34Å; Q2340-R2344 VanDerWaalsContact O-N 3.14Å | ||
| 2341 | Q | 89.7 | Confident | 93.1 | Very high | 137 Ų | 137 | 36.2 Ų | 36.2 | 64% | 0.64 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -58.1 | -38.1 | -179.1 | -175 | 176.6 | -6.3 | 0 | 0 | 112.4 | T2343 R2344 Q2345 L2388 | Q2341-T2343 PolarHBondContact O-N 2.89Å; Q2341-R2344 PolarHBondContact O-N 3.15Å; Q2341-Q2345 WeakPolarHBondContact O-CB 3.3Å; Q2341-Q2345 PolarHBondContact O-N 3.17Å; Q2341-L2388 HydrophobicContact CG-CD1 4.3Å |
| 2342 | Q | 92 | Very high | 93.1 | Very high | 112 Ų | 112 | 36.5 Ų | 36.5 | 52% | 0.523 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.3 | -44.5 | 177.8 | -173.3 | -176.3 | 3.7 | 0 | 0 | 112.6 | L2303 Q2340 R2344 Q2345 A2346 | L2303-Q2342 HydrophobicContact CD1-CG 4.3Å; L2303-Q2342 HydrophobicContact CD2-CG 4.07Å; Q2340-Q2342 VanDerWaalsContact C-N 3.28Å; Q2340-Q2342 HydrophobicContact CG-CB 4.09Å; Q2340-Q2342 PolarHBondContact O-N 3.25Å; Q2342-R2344 VanDerWaalsContact C-N 3.33Å; Q2342-R2344 PolarHBondContact O-N 3.34Å; Q2342-Q2345 PolarHBondContact O-N 3.12Å; Q2342-A2346 WeakPolarHBondContact O-CB 3.42Å; Q2342-A2346 PolarHBondContact O-N 3.08Å |
| 2343 | T | 92.5 | Very high | 93.1 | Very high | 13 Ų | 13 | 40.8 Ų | 40.8 | 8% | 0.08 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 178.2 | -53.7 | 0 | 0 | 0 | 0 | 110.7 | H2302 I2306 I2334 Q2340 Q2341 Q2345 T2347 | H2302-T2343 HydrophobicContact CB-CG2 3.51Å; I2306-T2343 HydrophobicContact CD1-CG2 3.94Å; I2334-T2343 HydrophobicContact CG2-CG2 3.89Å; Q2340-T2343 PolarHBondContact O-N 3.03Å; Q2340-T2343 VanDerWaalsContact O-N 3.12Å; Q2341-T2343 PolarHBondContact O-N 2.89Å; T2343-Q2345 VanDerWaalsContact C-N 3.33Å; T2343-Q2345 PolarHBondContact O-N 3.23Å; T2343-T2347 WeakPolarHBondContact O-CB 3.29Å; T2343-T2347 PolarHBondContact O-N 3.09Å; T2343-T2347 PolarHBondContact O-OG1 3.12Å |
| 2344 | R | 94.7 | Very high | 93.1 | Very high | 26.5 Ų | 26.5 | 40.4 Ų | 40.4 | 10% | 0.1 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 175.5 | -64 | 174.4 | 71.6 | -154.2 | -1 | 111.1 | I2335 S2338 Q2340 Q2341 Q2342 T2347 V2348 L2388 D2392 | I2335-R2344 PolarHBondContact O-NE 3.15Å; I2335-R2344 PolarHBondContact O-NH2 3.25Å; S2338-R2344 VanDerWaalsContact O-CD 3.31Å; S2338-R2344 WeakPolarHBondContact O-CD 3.48Å; Q2340-R2344 WeakPolarHBondContact O-CG 3.46Å; Q2340-R2344 PolarHBondContact O-N 3.34Å; Q2340-R2344 VanDerWaalsContact O-N 3.14Å; Q2341-R2344 PolarHBondContact O-N 3.15Å; Q2342-R2344 VanDerWaalsContact C-N 3.33Å; Q2342-R2344 PolarHBondContact O-N 3.34Å; R2344-T2347 WeakPolarHBondContact O-CB 3.17Å; R2344-T2347 PolarHBondContact O-N 3.21Å; R2344-V2348 VanDerWaalsContact O-CG2 3.23Å; R2344-V2348 WeakPolarHBondContact O-CG2 3.33Å; R2344-V2348 PolarHBondContact O-N 2.84Å; R2344-L2388 HydrophobicContact CB-CD1 3.7Å; R2344-L2388 HydrophobicContact CB-CD2 3.87Å; R2344-L2388 HydrophobicContact CB-CG 4.47Å; R2344-D2392 IonicContact CZ-OD1 3.54Å; R2344-D2392 IonicContact CZ-OD2 2.99Å; R2344-D2392 IonicContact NH1-OD1 3.49Å; R2344-D2392 PolarHBondContact NH1-OD1 3.35Å; R2344-D2392 IonicContact NH1-OD2 3.19Å; R2344-D2392 PolarHBondContact NH1-OD2 3.11Å; R2344-D2392 VanDerWaalsContact NH2-CG 3.35Å; R2344-D2392 IonicContact NH2-OD1 3.08Å; R2344-D2392 PolarHBondContact NH2-OD1 3.14Å; R2344-D2392 IonicContact NH2-OD2 3.45Å; R2344-D2392 PolarHBondContact NH2-OD2 2.82Å |
| 2345 | Q | 94.7 | Very high | 93.2 | Very high | 29.5 Ų | 29.5 | 40.5 Ų | 40.5 | 14% | 0.138 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.5 | -50.3 | -179.1 | -174.8 | 60.4 | 45.6 | 0 | 0 | 110.5 | Q2341 Q2342 T2343 T2347 V2348 D2349 P2384 E2385 L2388 | Q2341-Q2345 WeakPolarHBondContact O-CB 3.3Å; Q2341-Q2345 PolarHBondContact O-N 3.17Å; Q2342-Q2345 PolarHBondContact O-N 3.12Å; T2343-Q2345 VanDerWaalsContact C-N 3.33Å; T2343-Q2345 PolarHBondContact O-N 3.23Å; Q2345-T2347 PolarHBondContact O-N 3.41Å; Q2345-V2348 WeakPolarHBondContact O-CA 3.32Å; Q2345-V2348 WeakPolarHBondContact O-CB 3.47Å; Q2345-V2348 PolarHBondContact O-N 3.16Å; Q2345-D2349 PolarHBondContact NE2-OD1 3.33Å; Q2345-D2349 PolarHBondContact O-N 3.4Å; Q2345-P2384 PolarHBondContact NE2-O 3.5Å; Q2345-E2385 PolarHBondContact NE2-OE2 3.27Å; Q2345-L2388 HydrophobicContact CB-CD1 3.93Å |
| 2346 | A | 94.8 | Very high | 93.1 | Very high | 21.5 Ų | 21.5 | 45.6 Ų | 45.6 | 18% | 0.178 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.1 | -35.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L2303 I2306 Q2342 D2349 L2350 | L2303-A2346 HydrophobicContact CD1-CB 4.03Å; L2303-A2346 HydrophobicContact CD2-CB 4.24Å; I2306-A2346 HydrophobicContact CD1-CB 4.24Å; I2306-A2346 HydrophobicContact CG2-CB 3.79Å; I2306-A2346 WeakPolarHBondContact CG2-O 3.44Å; Q2342-A2346 WeakPolarHBondContact O-CB 3.42Å; Q2342-A2346 PolarHBondContact O-N 3.08Å; A2346-D2349 PolarHBondContact O-N 3.17Å; A2346-L2350 WeakPolarHBondContact O-CB 3.34Å; A2346-L2350 PolarHBondContact O-N 3.25Å |
| 2347 | T | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -42.5 | 174.8 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | I2306 L2331 I2334 I2335 T2343 R2344 Q2345 L2350 I2351 | I2306-T2347 WeakPolarHBondContact CD1-OG1 3.41Å; L2331-T2347 HydrophobicContact CB-CG2 3.59Å; L2331-T2347 HydrophobicContact CD2-CG2 3.95Å; L2331-T2347 HydrophobicContact CG-CG2 4.19Å; L2331-T2347 VanDerWaalsContact O-CG2 3.31Å; L2331-T2347 WeakPolarHBondContact O-CG2 3.25Å; I2334-T2347 WeakPolarHBondContact CG2-OG1 3.36Å; I2335-T2347 HydrophobicContact CD1-CG2 3.95Å; I2335-T2347 HydrophobicContact CG1-CG2 3.64Å; T2343-T2347 WeakPolarHBondContact O-CB 3.29Å; T2343-T2347 PolarHBondContact O-N 3.09Å; T2343-T2347 PolarHBondContact O-OG1 3.12Å; R2344-T2347 WeakPolarHBondContact O-CB 3.17Å; R2344-T2347 PolarHBondContact O-N 3.21Å; Q2345-T2347 PolarHBondContact O-N 3.41Å; T2347-L2350 PolarHBondContact O-N 3.17Å; T2347-I2351 HydrophobicContact CG2-CD1 4.46Å; T2347-I2351 WeakPolarHBondContact O-CG1 3.28Å; T2347-I2351 PolarHBondContact O-N 3.44Å |
| 2348 | V | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.6 | -43 | 177.1 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | I2335 R2344 Q2345 L2350 I2351 S2352 I2380 P2384 F2387 L2388 | I2335-V2348 HydrophobicContact CD1-CG2 3.73Å; I2335-V2348 HydrophobicContact CG1-CG2 4.06Å; R2344-V2348 VanDerWaalsContact O-CG2 3.23Å; R2344-V2348 WeakPolarHBondContact O-CG2 3.33Å; R2344-V2348 PolarHBondContact O-N 2.84Å; Q2345-V2348 WeakPolarHBondContact O-CA 3.32Å; Q2345-V2348 WeakPolarHBondContact O-CB 3.47Å; Q2345-V2348 PolarHBondContact O-N 3.16Å; V2348-L2350 VanDerWaalsContact C-N 3.33Å; V2348-L2350 PolarHBondContact O-N 3.04Å; V2348-I2351 PolarHBondContact O-N 3.14Å; V2348-S2352 WeakPolarHBondContact O-CB 3.41Å; V2348-S2352 PolarHBondContact O-N 3.28Å; V2348-I2380 HydrophobicContact CG1-CG1 4.27Å; V2348-I2380 HydrophobicContact CG1-CG2 4.16Å; V2348-P2384 HydrophobicContact CG1-CB 3.77Å; V2348-P2384 WeakPolarHBondContact CG1-O 3.32Å; V2348-F2387 HydrophobicContact CB-CD1 4.23Å; V2348-F2387 HydrophobicContact CG1-CB 4.02Å; V2348-F2387 HydrophobicContact CG1-CD1 3.77Å; V2348-F2387 HydrophobicContact CG1-CG 4.14Å; V2348-F2387 HydrophobicContact CG2-CD1 3.35Å; V2348-F2387 HydrophobicContact CG2-CE1 3.6Å; V2348-F2387 HydrophobicContact CG2-CG 4.46Å; V2348-L2388 HydrophobicContact CG2-CD2 3.85Å; V2348-L2388 HydrophobicContact CG2-CG 4.27Å |
| 2349 | D | 95.1 | Very high | 93.2 | Very high | 36.5 Ų | 36.5 | 57 Ų | 57 | 20% | 0.195 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 177.5 | -57.3 | -28.7 | 0 | 0 | 0 | 110.9 | Q2345 A2346 I2351 S2352 H2353 | Q2345-D2349 PolarHBondContact NE2-OD1 3.33Å; Q2345-D2349 PolarHBondContact O-N 3.4Å; A2346-D2349 PolarHBondContact O-N 3.17Å; D2349-I2351 PolarHBondContact O-N 2.95Å; D2349-S2352 VanDerWaalsContact O-CB 3.32Å; D2349-S2352 WeakPolarHBondContact O-CB 3.43Å; D2349-S2352 PolarHBondContact O-N 2.95Å; D2349-H2353 PolarHBondContact O-N 3.21Å; D2349-H2353 PolarHBondContact O-ND1 2.94Å |
| 2350 | L | 95.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63 | -43.4 | 174.6 | -179.1 | 64.1 | 0 | 0 | 0 | 112 | I2306 M2309 E2310 I2313 L2331 A2346 T2347 V2348 S2352 H2353 C2354 | I2306-L2350 HydrophobicContact CB-CD2 4.5Å; I2306-L2350 HydrophobicContact CG2-CB 4.08Å; I2306-L2350 HydrophobicContact CG2-CD2 4.08Å; M2309-L2350 HydrophobicContact CB-CD1 4.12Å; M2309-L2350 HydrophobicContact CB-CD2 3.71Å; E2310-L2350 HydrophobicContact CB-CD1 4.12Å; I2313-L2350 HydrophobicContact CD1-CD1 3.54Å; I2313-L2350 HydrophobicContact CG1-CD1 4.18Å; L2331-L2350 HydrophobicContact CD1-CD2 3.63Å; L2331-L2350 HydrophobicContact CD1-CG 4.04Å; L2331-L2350 HydrophobicContact CD2-CD2 3.98Å; L2331-L2350 HydrophobicContact CG-CD2 4.47Å; A2346-L2350 WeakPolarHBondContact O-CB 3.34Å; A2346-L2350 PolarHBondContact O-N 3.25Å; T2347-L2350 PolarHBondContact O-N 3.17Å; V2348-L2350 VanDerWaalsContact C-N 3.33Å; V2348-L2350 PolarHBondContact O-N 3.04Å; L2350-S2352 VanDerWaalsContact C-N 3.31Å; L2350-S2352 PolarHBondContact O-N 3.22Å; L2350-H2353 PolarHBondContact O-N 3.4Å; L2350-C2354 PolarHBondContact O-N 3.29Å; L2350-C2354 PolarHBondContact O-SG 3.34Å |
| 2351 | I | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.8 | -37.9 | 174.9 | -65.9 | 177 | 0 | 0 | 0 | 110.8 | L2331 M2332 I2335 T2347 V2348 D2349 C2354 L2355 L2368 I2380 | L2331-I2351 HydrophobicContact CB-CD1 3.98Å; L2331-I2351 HydrophobicContact CB-CG1 4.19Å; L2331-I2351 HydrophobicContact CD1-CD1 4.47Å; L2331-I2351 HydrophobicContact CD1-CG1 3.77Å; M2332-I2351 HydrophobicContact SD-CD1 3.94Å; I2335-I2351 HydrophobicContact CD1-CD1 3.59Å; T2347-I2351 HydrophobicContact CG2-CD1 4.46Å; T2347-I2351 WeakPolarHBondContact O-CG1 3.28Å; T2347-I2351 PolarHBondContact O-N 3.44Å; V2348-I2351 PolarHBondContact O-N 3.14Å; D2349-I2351 PolarHBondContact O-N 2.95Å; I2351-C2354 VanDerWaalsContact O-CB 3.32Å; I2351-C2354 WeakPolarHBondContact O-CB 3.25Å; I2351-C2354 PolarHBondContact O-N 2.85Å; I2351-L2355 HydrophobicContact CG2-CD1 4.06Å; I2351-L2355 HydrophobicContact CG2-CG 4.38Å; I2351-L2355 WeakPolarHBondContact O-CG 3.43Å; I2351-L2355 PolarHBondContact O-N 2.74Å; I2351-L2368 HydrophobicContact CG2-CD1 3.45Å; I2351-L2368 VanDerWaalsContact CG2-CD1 3.45Å; I2351-I2380 HydrophobicContact CB-CG2 4.13Å; I2351-I2380 HydrophobicContact CG2-CG2 3.83Å |
| 2352 | S | 95.6 | Very high | 93.5 | Very high | 6.5 Ų | 6.5 | 52 Ų | 52 | 5% | 0.045 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.9 | -48.5 | 175.2 | -168.4 | 0 | 0 | 0 | 0 | 111.2 | V2348 D2349 L2350 C2354 L2355 I2356 I2380 | V2348-S2352 WeakPolarHBondContact O-CB 3.41Å; V2348-S2352 PolarHBondContact O-N 3.28Å; D2349-S2352 VanDerWaalsContact O-CB 3.32Å; D2349-S2352 WeakPolarHBondContact O-CB 3.43Å; D2349-S2352 PolarHBondContact O-N 2.95Å; L2350-S2352 VanDerWaalsContact C-N 3.31Å; L2350-S2352 PolarHBondContact O-N 3.22Å; S2352-C2354 VanDerWaalsContact C-N 3.3Å; S2352-C2354 PolarHBondContact O-N 3.36Å; S2352-L2355 WeakPolarHBondContact O-CB 3.31Å; S2352-L2355 PolarHBondContact O-N 2.95Å; S2352-I2356 VanDerWaalsContact O-CG1 3.29Å; S2352-I2356 WeakPolarHBondContact O-CG1 3.26Å; S2352-I2356 PolarHBondContact O-N 2.88Å; S2352-I2380 WeakPolarHBondContact CB-O 3.25Å; S2352-I2380 PolarHBondContact OG-O 3.02Å |
| 2353 | H | 93.4 | Very high | 93.4 | Very high | 92 Ų | 92 | 51 Ų | 51 | 43% | 0.426 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.6 | -40.6 | 173.8 | -75.4 | 98.7 | 0 | 0 | 0 | 112.5 | E2310 I2313 D2349 L2350 L2355 I2356 N2357 | E2310-H2353 IonicContact OE1-CE1 3.46Å; I2313-H2353 HydrophobicContact CD1-CB 3.69Å; D2349-H2353 PolarHBondContact O-N 3.21Å; D2349-H2353 PolarHBondContact O-ND1 2.94Å; L2350-H2353 PolarHBondContact O-N 3.4Å; H2353-L2355 PolarHBondContact O-N 3.08Å; H2353-I2356 PolarHBondContact O-N 3.36Å; H2353-N2357 PolarHBondContact O-N 3.07Å |
| 2354 | C | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.1 | -42.6 | 173.7 | -66.9 | 0 | 0 | 0 | 0 | 112 | L2319 L2350 I2351 S2352 N2357 I2364 | L2319-C2354 HydrophobicContact CD1-CB 4.34Å; L2350-C2354 PolarHBondContact O-N 3.29Å; L2350-C2354 PolarHBondContact O-SG 3.34Å; I2351-C2354 VanDerWaalsContact O-CB 3.32Å; I2351-C2354 WeakPolarHBondContact O-CB 3.25Å; I2351-C2354 PolarHBondContact O-N 2.85Å; S2352-C2354 VanDerWaalsContact C-N 3.3Å; S2352-C2354 PolarHBondContact O-N 3.36Å; C2354-N2357 VanDerWaalsContact O-CB 3.25Å; C2354-N2357 WeakPolarHBondContact O-CB 3.43Å; C2354-N2357 PolarHBondContact O-N 3.12Å; C2354-I2364 HydrophobicContact CB-CD1 3.85Å; C2354-I2364 WeakPolarHBondContact O-CD1 3.36Å |
| 2355 | L | 94.3 | Very high | 93.4 | Very high | 10 Ų | 10 | 51.4 Ų | 51.4 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.2 | -34.4 | 179.5 | -78 | 168.6 | 0 | 0 | 0 | 113.2 | I2351 S2352 H2353 N2357 G2361 I2364 Q2365 L2368 V2377 I2380 R2381 | I2351-L2355 HydrophobicContact CG2-CD1 4.06Å; I2351-L2355 HydrophobicContact CG2-CG 4.38Å; I2351-L2355 WeakPolarHBondContact O-CG 3.43Å; I2351-L2355 PolarHBondContact O-N 2.74Å; S2352-L2355 WeakPolarHBondContact O-CB 3.31Å; S2352-L2355 PolarHBondContact O-N 2.95Å; H2353-L2355 PolarHBondContact O-N 3.08Å; L2355-N2357 PolarHBondContact O-N 3.26Å; L2355-G2361 WeakPolarHBondContact O-CA 3.44Å; L2355-I2364 HydrophobicContact CD2-CB 4.27Å; L2355-I2364 HydrophobicContact CD2-CG2 3.86Å; L2355-I2364 HydrophobicContact CG-CG2 4.22Å; L2355-Q2365 HydrophobicContact CD2-CB 3.74Å; L2355-Q2365 HydrophobicContact CD2-CG 4.44Å; L2355-L2368 HydrophobicContact CD1-CD1 3.93Å; L2355-L2368 HydrophobicContact CD2-CD1 4.01Å; L2355-L2368 HydrophobicContact CG-CD1 4.1Å; L2355-V2377 HydrophobicContact CD1-CG1 4.04Å; L2355-V2377 HydrophobicContact CD2-CG1 4.16Å; L2355-I2380 HydrophobicContact CD1-CB 4.15Å; L2355-I2380 HydrophobicContact CD1-CG2 3.86Å; L2355-R2381 HydrophobicContact CB-CB 4.31Å; L2355-R2381 HydrophobicContact CB-CG 4.23Å; L2355-R2381 HydrophobicContact CD1-CB 4.14Å |
| 2356 | I | 92.1 | Very high | 93.2 | Very high | 107 Ų | 107 | 52.5 Ų | 52.5 | 55% | 0.549 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -71 | -18.5 | 177.7 | -65.9 | 163.2 | 0 | 0 | 0 | 111.3 | S2352 H2353 K2358 | S2352-I2356 VanDerWaalsContact O-CG1 3.29Å; S2352-I2356 WeakPolarHBondContact O-CG1 3.26Å; S2352-I2356 PolarHBondContact O-N 2.88Å; H2353-I2356 PolarHBondContact O-N 3.36Å; I2356-K2358 PolarHBondContact O-N 3.1Å |
| 2357 | N | 92.3 | Very high | 93 | Very high | 38 Ų | 38 | 52.3 Ų | 52.3 | 20% | 0.203 | 24% | 0.243 | C | C | . | . | trans | -59.3 | 126.1 | 179.9 | -172.9 | -78.5 | 0 | 0 | 0 | 112.3 | L2319 H2353 C2354 L2355 Q2359 F2360 G2361 | L2319-N2357 HydrophobicContact CD2-CB 3.69Å; L2319-N2357 VanDerWaalsContact CD2-CG 3.44Å; L2319-N2357 WeakPolarHBondContact CD2-ND2 3.34Å; H2353-N2357 PolarHBondContact O-N 3.07Å; C2354-N2357 VanDerWaalsContact O-CB 3.25Å; C2354-N2357 WeakPolarHBondContact O-CB 3.43Å; C2354-N2357 PolarHBondContact O-N 3.12Å; L2355-N2357 PolarHBondContact O-N 3.26Å; N2357-Q2359 VanDerWaalsContact C-N 3.34Å; N2357-Q2359 PolarHBondContact O-N 3.4Å; N2357-Q2359 PolarHBondContact OD1-N 3.21Å; N2357-F2360 PolarHBondContact OD1-N 3.23Å; N2357-F2360 VanDerWaalsContact OD1-N 3.09Å; N2357-G2361 WeakPolarHBondContact O-CA 3.46Å; N2357-G2361 PolarHBondContact O-N 2.97Å | ||
| 2358 | K | 89.2 | Confident | 92.9 | Very high | 207.5 Ų | 207.5 | 52.4 Ų | 52.4 | 90% | 0.902 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -32.4 | -175.3 | -66.6 | 179.8 | -179.1 | 174.8 | 0 | 114.4 | I2356 | I2356-K2358 PolarHBondContact O-N 3.1Š|
| 2359 | Q | 90.1 | Very high | 92.6 | Very high | 133.5 Ų | 133.5 | 54.4 Ų | 54.4 | 62% | 0.624 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -45.6 | -174.3 | -68.5 | -175.9 | -1.5 | 0 | 0 | 111.9 | N2357 | N2357-Q2359 VanDerWaalsContact C-N 3.34Å; N2357-Q2359 PolarHBondContact O-N 3.4Å; N2357-Q2359 PolarHBondContact OD1-N 3.21Å |
| 2360 | F | 91.4 | Very high | 92.5 | Very high | 32 Ų | 32 | 53.6 Ų | 53.6 | 14% | 0.14 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -12.6 | -173.1 | -61.5 | -73 | 0 | 0 | 0 | 114.1 | S2316 L2319 K2320 I2323 N2357 R2362 R2363 I2364 | S2316-F2360 WeakPolarHBondContact O-CE2 3.45Å; L2319-F2360 HydrophobicContact CD2-CB 4.29Å; L2319-F2360 HydrophobicContact CD2-CD2 4.1Å; L2319-F2360 HydrophobicContact CG-CD2 4.32Å; K2320-F2360 HydrophobicContact CB-CE1 4.31Å; K2320-F2360 HydrophobicContact CB-CE2 3.97Å; K2320-F2360 HydrophobicContact CB-CZ 3.69Å; K2320-F2360 HydrophobicContact CD-CZ 4.1Å; K2320-F2360 HydrophobicContact CG-CE1 4.18Å; K2320-F2360 HydrophobicContact CG-CZ 3.89Å; I2323-F2360 HydrophobicContact CD1-CB 3.8Å; I2323-F2360 HydrophobicContact CD1-CD1 4.21Å; I2323-F2360 HydrophobicContact CD1-CG 4Å; N2357-F2360 PolarHBondContact OD1-N 3.23Å; N2357-F2360 VanDerWaalsContact OD1-N 3.09Å; F2360-R2362 VanDerWaalsContact C-N 3.34Å; F2360-R2362 PolarHBondContact O-N 3.23Å; F2360-R2363 WeakPolarHBondContact O-CA 3.34Å; F2360-R2363 WeakPolarHBondContact O-CB 3.36Å; F2360-R2363 PolarHBondContact O-N 3.26Å; F2360-I2364 HydrophobicContact CB-CD1 3.99Å; F2360-I2364 HydrophobicContact CB-CG1 4.39Å; F2360-I2364 WeakPolarHBondContact O-CG1 3.33Å; F2360-I2364 PolarHBondContact O-N 3.12Å |
| 2361 | G | 91 | Very high | 92.3 | Very high | 2.5 Ų | 2.5 | 53.8 Ų | 53.8 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -55.1 | -42.8 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | L2355 N2357 R2363 I2364 Q2365 | L2355-G2361 WeakPolarHBondContact O-CA 3.44Å; N2357-G2361 WeakPolarHBondContact O-CA 3.46Å; N2357-G2361 PolarHBondContact O-N 2.97Å; G2361-R2363 VanDerWaalsContact C-N 3.34Å; G2361-R2363 PolarHBondContact O-N 3.48Å; G2361-I2364 PolarHBondContact O-N 3.34Å; G2361-Q2365 WeakPolarHBondContact O-CB 3.2Å; G2361-Q2365 PolarHBondContact O-N 3.17Å |
| 2362 | R | 90.3 | Very high | 92.1 | Very high | 224 Ų | 224 | 53.9 Ų | 53.9 | 85% | 0.845 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.5 | -37.7 | 176 | -67.7 | -174.5 | -178.5 | -175.3 | 0.2 | 113 | F2360 A2366 | F2360-R2362 VanDerWaalsContact C-N 3.34Å; F2360-R2362 PolarHBondContact O-N 3.23Å; R2362-A2366 PolarHBondContact O-N 2.97Å |
| 2363 | R | 90.8 | Very high | 91.8 | Very high | 89.5 Ų | 89.5 | 54.3 Ų | 54.3 | 34% | 0.338 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.1 | -43.4 | 177.1 | -179.9 | 178.2 | 176.3 | -171.7 | -5.9 | 110.6 | Y2324 F2360 G2361 Q2365 A2366 I2367 | Y2324-R2363 PolarHBondContact OH-NH1 3.18Å; F2360-R2363 WeakPolarHBondContact O-CA 3.34Å; F2360-R2363 WeakPolarHBondContact O-CB 3.36Å; F2360-R2363 PolarHBondContact O-N 3.26Å; G2361-R2363 VanDerWaalsContact C-N 3.34Å; G2361-R2363 PolarHBondContact O-N 3.48Å; R2363-Q2365 VanDerWaalsContact C-N 3.33Å; R2363-Q2365 PolarHBondContact O-N 2.84Å; R2363-A2366 PolarHBondContact O-N 2.97Å; R2363-I2367 HydrophobicContact CG-CD1 4.04Å; R2363-I2367 WeakPolarHBondContact O-CG1 3.41Å; R2363-I2367 PolarHBondContact O-N 3.39Å |
| 2364 | I | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 176.1 | -63.4 | 165.8 | 0 | 0 | 0 | 109.9 | L2319 I2323 L2328 C2354 L2355 F2360 G2361 A2366 I2367 L2368 | L2319-I2364 HydrophobicContact CD1-CD1 4.36Å; L2319-I2364 HydrophobicContact CD2-CD1 4.49Å; I2323-I2364 HydrophobicContact CD1-CD1 3.87Å; I2323-I2364 HydrophobicContact CD1-CG1 3.86Å; I2323-I2364 HydrophobicContact CG1-CD1 4.33Å; I2323-I2364 HydrophobicContact CG1-CG1 4.33Å; L2328-I2364 HydrophobicContact CD1-CB 4.49Å; L2328-I2364 HydrophobicContact CD1-CG1 4.25Å; L2328-I2364 HydrophobicContact CD1-CG2 4.05Å; L2328-I2364 HydrophobicContact CD2-CG2 3.95Å; C2354-I2364 HydrophobicContact CB-CD1 3.85Å; C2354-I2364 WeakPolarHBondContact O-CD1 3.36Å; L2355-I2364 HydrophobicContact CD2-CB 4.27Å; L2355-I2364 HydrophobicContact CD2-CG2 3.86Å; L2355-I2364 HydrophobicContact CG-CG2 4.22Å; F2360-I2364 HydrophobicContact CB-CD1 3.99Å; F2360-I2364 HydrophobicContact CB-CG1 4.39Å; F2360-I2364 WeakPolarHBondContact O-CG1 3.33Å; F2360-I2364 PolarHBondContact O-N 3.12Å; G2361-I2364 PolarHBondContact O-N 3.34Å; I2364-A2366 VanDerWaalsContact C-N 3.34Å; I2364-A2366 PolarHBondContact O-N 3.01Å; I2364-I2367 PolarHBondContact O-N 3.18Å; I2364-L2368 HydrophobicContact CG2-CD1 3.92Å; I2364-L2368 HydrophobicContact CG2-CG 4.2Å; I2364-L2368 WeakPolarHBondContact O-CG 3.46Å; I2364-L2368 PolarHBondContact O-N 3.06Å |
| 2365 | Q | 93.2 | Very high | 91 | Very high | 48 Ų | 48 | 52.4 Ų | 52.4 | 22% | 0.224 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.8 | -44.8 | 175 | -173.1 | 175.5 | -6.7 | 0 | 0 | 111.6 | L2355 G2361 R2363 I2367 L2368 N2369 V2377 D2378 R2381 | L2355-Q2365 HydrophobicContact CD2-CB 3.74Å; L2355-Q2365 HydrophobicContact CD2-CG 4.44Å; G2361-Q2365 WeakPolarHBondContact O-CB 3.2Å; G2361-Q2365 PolarHBondContact O-N 3.17Å; R2363-Q2365 VanDerWaalsContact C-N 3.33Å; R2363-Q2365 PolarHBondContact O-N 2.84Å; Q2365-I2367 VanDerWaalsContact C-N 3.33Å; Q2365-I2367 PolarHBondContact O-N 3.05Å; Q2365-L2368 PolarHBondContact O-N 3.08Å; Q2365-N2369 VanDerWaalsContact O-CB 3.26Å; Q2365-N2369 WeakPolarHBondContact O-CB 3.3Å; Q2365-N2369 PolarHBondContact O-N 2.99Å; Q2365-N2369 PolarHBondContact O-ND2 2.85Å; Q2365-N2369 PolarHBondContact O-OD1 3.14Å; Q2365-V2377 HydrophobicContact CB-CG1 4.5Å; Q2365-V2377 HydrophobicContact CG-CG1 3.88Å; Q2365-D2378 PolarHBondContact NE2-OD1 3.21Å; Q2365-R2381 VanDerWaalsContact NE2-NH1 3.17Å |
| 2366 | A | 89.4 | Confident | 90.9 | Very high | 53.5 Ų | 53.5 | 52.1 Ų | 52.1 | 44% | 0.442 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.1 | -40.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R2362 R2363 I2364 Q2370 | R2362-A2366 PolarHBondContact O-N 2.97Å; R2363-A2366 PolarHBondContact O-N 2.97Å; I2364-A2366 VanDerWaalsContact C-N 3.34Å; I2364-A2366 PolarHBondContact O-N 3.01Å; A2366-Q2370 WeakPolarHBondContact O-CG 3.31Å; A2366-Q2370 PolarHBondContact O-N 2.98Å |
| 2367 | I | 91.5 | Very high | 90.9 | Very high | 17 Ų | 17 | 47 Ų | 47 | 9% | 0.087 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.7 | -49.7 | 176.3 | -68.8 | 163.2 | 0 | 0 | 0 | 110.7 | I2323 L2328 R2363 I2364 Q2365 N2369 Q2370 Y2371 W2433 | I2323-I2367 HydrophobicContact CG2-CD1 4.41Å; L2328-I2367 HydrophobicContact CD1-CB 4.47Å; L2328-I2367 HydrophobicContact CD1-CD1 4.2Å; L2328-I2367 HydrophobicContact CD1-CG2 4.1Å; R2363-I2367 HydrophobicContact CG-CD1 4.04Å; R2363-I2367 WeakPolarHBondContact O-CG1 3.41Å; R2363-I2367 PolarHBondContact O-N 3.39Å; I2364-I2367 PolarHBondContact O-N 3.18Å; Q2365-I2367 VanDerWaalsContact C-N 3.33Å; Q2365-I2367 PolarHBondContact O-N 3.05Å; I2367-N2369 VanDerWaalsContact C-N 3.28Å; I2367-N2369 PolarHBondContact O-N 3.35Å; I2367-Q2370 WeakPolarHBondContact O-CB 3.25Å; I2367-Q2370 PolarHBondContact O-N 3.24Å; I2367-Y2371 HydrophobicContact CG2-CE2 4.41Å; I2367-Y2371 WeakPolarHBondContact O-CD2 3.38Å; I2367-W2433 HydrophobicContact CD1-CZ3 4.22Å; I2367-W2433 HydrophobicContact CG2-CH2 3.63Å; I2367-W2433 HydrophobicContact CG2-CZ3 3.87Å |
| 2368 | L | 93.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63 | -35.9 | -179.5 | -68.3 | 178.5 | 0 | 0 | 0 | 111.7 | M2332 I2351 L2355 I2364 Q2365 Q2370 Y2371 L2372 V2377 | M2332-L2368 HydrophobicContact CG-CD2 3.91Å; M2332-L2368 HydrophobicContact SD-CD2 3.84Å; I2351-L2368 HydrophobicContact CG2-CD1 3.45Å; I2351-L2368 VanDerWaalsContact CG2-CD1 3.45Å; L2355-L2368 HydrophobicContact CD1-CD1 3.93Å; L2355-L2368 HydrophobicContact CD2-CD1 4.01Å; L2355-L2368 HydrophobicContact CG-CD1 4.1Å; I2364-L2368 HydrophobicContact CG2-CD1 3.92Å; I2364-L2368 HydrophobicContact CG2-CG 4.2Å; I2364-L2368 WeakPolarHBondContact O-CG 3.46Å; I2364-L2368 PolarHBondContact O-N 3.06Å; Q2365-L2368 PolarHBondContact O-N 3.08Å; L2368-Q2370 PolarHBondContact O-N 3.18Å; L2368-Y2371 PolarHBondContact O-N 3.06Å; L2368-L2372 PolarHBondContact O-N 2.93Å; L2368-V2377 HydrophobicContact CB-CG1 3.92Å; L2368-V2377 HydrophobicContact CB-CG2 3.74Å; L2368-V2377 HydrophobicContact CD1-CG1 4.14Å |
| 2369 | N | 91.1 | Very high | 90.8 | Very high | 43.5 Ų | 43.5 | 37.4 Ų | 37.4 | 23% | 0.233 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.7 | -13.5 | 175.4 | -73.3 | -12.9 | 0 | 0 | 0 | 113.9 | Q2365 I2367 L2372 N2374 V2377 | Q2365-N2369 VanDerWaalsContact O-CB 3.26Å; Q2365-N2369 WeakPolarHBondContact O-CB 3.3Å; Q2365-N2369 PolarHBondContact O-N 2.99Å; Q2365-N2369 PolarHBondContact O-ND2 2.85Å; Q2365-N2369 PolarHBondContact O-OD1 3.14Å; I2367-N2369 VanDerWaalsContact C-N 3.28Å; I2367-N2369 PolarHBondContact O-N 3.35Å; N2369-L2372 CarbonylContact C-O 3.53Å; N2369-L2372 WeakPolarHBondContact CA-O 3.39Å; N2369-N2374 VanDerWaalsContact CB-OD1 3.26Å; N2369-N2374 WeakPolarHBondContact CB-OD1 3.4Å; N2369-N2374 PolarHBondContact ND2-OD1 3.09Å; N2369-N2374 PolarHBondContact OD1-OD1 3.34Å; N2369-N2374 VanDerWaalsContact OD1-OD1 3.11Å; N2369-V2377 VanDerWaalsContact OD1-CB 3.26Å; N2369-V2377 WeakPolarHBondContact OD1-CB 3.38Å; N2369-V2377 WeakPolarHBondContact OD1-CG2 3.39Å |
| 2370 | Q | 91.6 | Very high | 91 | Very high | 20 Ų | 20 | 31 Ų | 31 | 9% | 0.093 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -80.5 | -22.4 | 171.4 | -65.9 | 175.7 | 9.6 | 0 | 0 | 112.4 | A2366 I2367 L2368 L2435 F2439 V2441 | A2366-Q2370 WeakPolarHBondContact O-CG 3.31Å; A2366-Q2370 PolarHBondContact O-N 2.98Å; I2367-Q2370 WeakPolarHBondContact O-CB 3.25Å; I2367-Q2370 PolarHBondContact O-N 3.24Å; L2368-Q2370 PolarHBondContact O-N 3.18Å; Q2370-L2435 VanDerWaalsContact OE1-CG 3.28Å; Q2370-F2439 HydrophobicContact CB-CD1 4.15Å; Q2370-F2439 WeakPolarHBondContact CB-O 3.32Å; Q2370-F2439 VanDerWaalsContact CG-O 3.27Å; Q2370-F2439 WeakPolarHBondContact CG-O 3.35Å; Q2370-V2441 PolarHBondContact O-N 3.02Å; Q2370-V2441 VanDerWaalsContact O-N 3.07Å |
| 2371 | Y | 92.6 | Very high | 91.1 | Very high | 3.5 Ų | 3.5 | 32.7 Ų | 32.7 | 1% | 0.014 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -102.9 | -41.8 | 178.4 | -67 | -85.2 | 0 | 0 | 0 | 113.2 | I2329 I2367 L2368 L2410 L2414 Q2417 W2433 L2435 F2439 V2441 Y2443 | I2329-Y2371 HydrophobicContact CG2-CE2 4.39Å; I2367-Y2371 HydrophobicContact CG2-CE2 4.41Å; I2367-Y2371 WeakPolarHBondContact O-CD2 3.38Å; L2368-Y2371 PolarHBondContact O-N 3.06Å; Y2371-L2410 HydrophobicContact CD1-CD1 4.19Å; Y2371-L2414 HydrophobicContact CD1-CD2 3.74Å; Y2371-L2414 HydrophobicContact CD1-CG 4.45Å; Y2371-L2414 HydrophobicContact CE1-CD2 3.76Å; Y2371-Q2417 PolarHBondContact OH-OE1 2.83Å; Y2371-W2433 HydrophobicContact CE2-CH2 4.41Å; Y2371-L2435 HydrophobicContact CD2-CD2 4.45Å; Y2371-L2435 HydrophobicContact CE2-CD2 3.41Å; Y2371-L2435 VanDerWaalsContact CE2-CD2 3.41Å; Y2371-L2435 WeakPolarHBondContact OH-CD2 3.25Å; Y2371-F2439 HydrophobicContact CD1-CE1 4.01Å; Y2371-F2439 AromaticContact CE1-CE1 3.54Å; Y2371-F2439 HydrophobicContact CE1-CE1 3.54Å; Y2371-F2439 AromaticContact CE1-CZ 3.93Å; Y2371-F2439 HydrophobicContact CE1-CZ 3.93Å; Y2371-F2439 HydrophobicContact CE2-CE1 4.24Å; Y2371-F2439 AromaticContact CZ-CE1 3.67Å; Y2371-V2441 HydrophobicContact CD1-CG2 4.06Å; Y2371-Y2443 VanDerWaalsContact O-CE2 3.28Å; Y2371-Y2443 WeakPolarHBondContact O-CE2 3.49Å; Y2371-Y2443 PolarHBondContact O-OH 3.42Å |
| 2372 | L | 92.2 | Very high | 91 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -111.3 | 147.2 | -175.6 | -72.1 | 174.5 | 0 | 0 | 0 | 111 | M2332 L2368 N2369 F2376 V2377 I2380 F2387 F2391 W2402 L2410 | M2332-L2372 HydrophobicContact CE-CD1 3.52Å; M2332-L2372 HydrophobicContact CE-CD2 3.91Å; M2332-L2372 HydrophobicContact CE-CG 3.58Å; M2332-L2372 HydrophobicContact SD-CD1 4.01Å; L2368-L2372 PolarHBondContact O-N 2.93Å; N2369-L2372 CarbonylContact C-O 3.53Å; N2369-L2372 WeakPolarHBondContact CA-O 3.39Å; L2372-F2376 HydrophobicContact CB-CB 4.31Å; L2372-F2376 HydrophobicContact CD1-CB 4.41Å; L2372-V2377 HydrophobicContact CB-CG2 3.81Å; L2372-V2377 HydrophobicContact CD1-CG2 4.26Å; L2372-I2380 HydrophobicContact CD1-CD1 3.89Å; L2372-F2387 HydrophobicContact CD1-CE2 4.49Å; L2372-F2387 HydrophobicContact CD1-CZ 4.47Å; L2372-F2391 HydrophobicContact CD2-CD2 4.46Å; L2372-F2391 HydrophobicContact CD2-CE2 4Å; L2372-W2402 HydrophobicContact CD2-CH2 4.48Å; L2372-L2410 HydrophobicContact CD2-CD2 3.75Å |
| 2373 | P | 88.5 | Confident | 91.1 | Very high | 14.5 Ų | 14.5 | 32.7 Ų | 32.7 | 9% | 0.094 | 17% | 0.165 | C | C | . | . | trans | -52 | 140 | 162.9 | -25.2 | 30.6 | 0 | 0 | 0 | 112.3 | V2375 F2376 V2377 W2402 | P2373-V2375 PolarHBondContact O-N 2.98Å; P2373-V2375 VanDerWaalsContact O-N 3.09Å; P2373-F2376 HydrophobicContact CB-CD2 3.86Å; P2373-F2376 HydrophobicContact CB-CE2 4.44Å; P2373-F2376 HydrophobicContact CG-CD2 3.77Å; P2373-F2376 HydrophobicContact CG-CE2 4.08Å; P2373-F2376 WeakPolarHBondContact O-CB 3.36Å; P2373-F2376 PolarHBondContact O-N 2.89Å; P2373-V2377 PolarHBondContact O-N 2.89Å; P2373-W2402 HydrophobicContact CG-CE3 4.02Å; P2373-W2402 HydrophobicContact CG-CZ3 4.21Å | ||
| 2374 | N | 86.8 | Confident | 91.2 | Very high | 42 Ų | 42 | 29.5 Ų | 29.5 | 23% | 0.225 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -54 | -36.5 | -175.3 | -71.2 | -5.1 | 0 | 0 | 0 | 113.8 | N2369 F2376 V2377 D2378 N2476 | N2369-N2374 VanDerWaalsContact CB-OD1 3.26Å; N2369-N2374 WeakPolarHBondContact CB-OD1 3.4Å; N2369-N2374 PolarHBondContact ND2-OD1 3.09Å; N2369-N2374 PolarHBondContact OD1-OD1 3.34Å; N2369-N2374 VanDerWaalsContact OD1-OD1 3.11Å; N2374-F2376 PolarHBondContact O-N 3.28Å; N2374-V2377 PolarHBondContact O-N 3.26Å; N2374-V2377 VanDerWaalsContact O-N 3.13Å; N2374-D2378 PolarHBondContact O-N 3.14Å; N2374-N2476 WeakPolarHBondContact CB-ND2 3.44Å; N2374-N2476 VanDerWaalsContact ND2-CG 3.26Å; N2374-N2476 PolarHBondContact ND2-ND2 3.39Å; N2374-N2476 VanDerWaalsContact ND2-ND2 3.18Å; N2374-N2476 PolarHBondContact ND2-OD1 2.95Å |
| 2375 | V | 86.4 | Confident | 91.1 | Very high | 11 Ų | 11 | 35.9 Ų | 35.9 | 7% | 0.067 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.3 | -39.4 | 177.2 | 175 | 0 | 0 | 0 | 0 | 111.8 | P2373 T2379 E2399 V2400 R2491 | P2373-V2375 PolarHBondContact O-N 2.98Å; P2373-V2375 VanDerWaalsContact O-N 3.09Å; V2375-T2379 WeakPolarHBondContact O-CB 3.45Å; V2375-T2379 PolarHBondContact O-N 2.89Å; V2375-T2379 PolarHBondContact O-OG1 3.12Å; V2375-E2399 HydrophobicContact CG2-CB 4.04Å; V2375-V2400 HydrophobicContact CB-CG2 3.53Å; V2375-V2400 HydrophobicContact CG1-CG2 3.62Å; V2375-V2400 HydrophobicContact CG2-CG2 3.62Å; V2375-R2491 VanDerWaalsContact CG1-NH2 3.26Å |
| 2376 | F | 91.7 | Very high | 91 | Very high | 3.5 Ų | 3.5 | 36.3 Ų | 36.3 | 2% | 0.015 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68 | -43.3 | 177.2 | -78.8 | -55.1 | 0 | 0 | 0 | 111.7 | L2372 P2373 N2374 D2378 T2379 I2380 F2387 L2390 F2391 V2400 W2402 | L2372-F2376 HydrophobicContact CB-CB 4.31Å; L2372-F2376 HydrophobicContact CD1-CB 4.41Å; P2373-F2376 HydrophobicContact CB-CD2 3.86Å; P2373-F2376 HydrophobicContact CB-CE2 4.44Å; P2373-F2376 HydrophobicContact CG-CD2 3.77Å; P2373-F2376 HydrophobicContact CG-CE2 4.08Å; P2373-F2376 WeakPolarHBondContact O-CB 3.36Å; P2373-F2376 PolarHBondContact O-N 2.89Å; N2374-F2376 PolarHBondContact O-N 3.28Å; F2376-D2378 PolarHBondContact O-N 3.3Å; F2376-T2379 CarbonylContact O-C 3.59Å; F2376-T2379 WeakPolarHBondContact O-CB 3.29Å; F2376-T2379 PolarHBondContact O-N 3.03Å; F2376-T2379 VanDerWaalsContact O-N 3.14Å; F2376-I2380 VanDerWaalsContact O-CG1 3.31Å; F2376-I2380 WeakPolarHBondContact O-CG1 3.39Å; F2376-I2380 PolarHBondContact O-N 3.21Å; F2376-F2387 HydrophobicContact CB-CD2 4.33Å; F2376-F2387 HydrophobicContact CB-CE2 3.81Å; F2376-F2387 AromaticContact CD1-CD2 3.84Å; F2376-F2387 HydrophobicContact CD1-CD2 3.84Å; F2376-F2387 AromaticContact CD1-CE2 3.6Å; F2376-F2387 HydrophobicContact CD1-CE2 3.6Å; F2376-F2387 HydrophobicContact CE1-CE2 4.49Å; F2376-F2387 HydrophobicContact CG-CD2 4.49Å; F2376-F2387 AromaticContact CG-CE2 3.96Å; F2376-F2387 HydrophobicContact CG-CE2 3.96Å; F2376-L2390 HydrophobicContact CE1-CB 4.01Å; F2376-F2391 HydrophobicContact CE1-CB 4.4Å; F2376-V2400 HydrophobicContact CE2-CG1 3.87Å; F2376-V2400 HydrophobicContact CZ-CG1 4.12Å; F2376-W2402 HydrophobicContact CE2-CB 3.87Å; F2376-W2402 AromaticContact CE2-CD1 3.82Å; F2376-W2402 AromaticContact CE2-CD2 3.57Å; F2376-W2402 HydrophobicContact CE2-CD2 3.57Å; F2376-W2402 AromaticContact CE2-CE2 3.96Å; F2376-W2402 HydrophobicContact CE2-CE3 4.06Å; F2376-W2402 AromaticContact CE2-CG 3.48Å; F2376-W2402 HydrophobicContact CE2-CG 3.48Å; F2376-W2402 VanDerWaalsContact CE2-CG 3.48Å; F2376-W2402 HydrophobicContact CZ-CB 4Å; F2376-W2402 AromaticContact CZ-CD1 3.5Å; F2376-W2402 HydrophobicContact CZ-CD2 4.09Å; F2376-W2402 AromaticContact CZ-CG 3.59Å; F2376-W2402 HydrophobicContact CZ-CG 3.59Å; F2376-W2402 AromaticContact CZ-NE1 3.89Å |
| 2377 | V | 92.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.9 | -40.2 | 178.8 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | L2355 Q2365 L2368 N2369 L2372 P2373 N2374 T2379 I2380 R2381 | L2355-V2377 HydrophobicContact CD1-CG1 4.04Å; L2355-V2377 HydrophobicContact CD2-CG1 4.16Å; Q2365-V2377 HydrophobicContact CB-CG1 4.5Å; Q2365-V2377 HydrophobicContact CG-CG1 3.88Å; L2368-V2377 HydrophobicContact CB-CG1 3.92Å; L2368-V2377 HydrophobicContact CB-CG2 3.74Å; L2368-V2377 HydrophobicContact CD1-CG1 4.14Å; N2369-V2377 VanDerWaalsContact OD1-CB 3.26Å; N2369-V2377 WeakPolarHBondContact OD1-CB 3.38Å; N2369-V2377 WeakPolarHBondContact OD1-CG2 3.39Å; L2372-V2377 HydrophobicContact CB-CG2 3.81Å; L2372-V2377 HydrophobicContact CD1-CG2 4.26Å; P2373-V2377 PolarHBondContact O-N 2.89Å; N2374-V2377 PolarHBondContact O-N 3.26Å; N2374-V2377 VanDerWaalsContact O-N 3.13Å; V2377-T2379 VanDerWaalsContact C-N 3.31Å; V2377-T2379 PolarHBondContact O-N 3.44Å; V2377-I2380 PolarHBondContact O-N 3.18Å; V2377-R2381 PolarHBondContact O-N 3.18Å |
| 2378 | D | 88.7 | Confident | 91.3 | Very high | 36 Ų | 36 | 33.1 Ų | 33.1 | 19% | 0.193 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.5 | -38.6 | 172.2 | -71.8 | -34.9 | 0 | 0 | 0 | 111.4 | Q2365 N2374 F2376 R2381 D2382 | Q2365-D2378 PolarHBondContact NE2-OD1 3.21Å; N2374-D2378 PolarHBondContact O-N 3.14Å; F2376-D2378 PolarHBondContact O-N 3.3Å; D2378-R2381 PolarHBondContact O-N 3.06Å; D2378-R2381 IonicContact OD1-CZ 3.12Å; D2378-R2381 VanDerWaalsContact OD1-CZ 3.22Å; D2378-R2381 IonicContact OD1-NH1 3.41Å; D2378-R2381 PolarHBondContact OD1-NH1 3.18Å; D2378-R2381 IonicContact OD1-NH2 3.38Å; D2378-R2381 PolarHBondContact OD1-NH2 3.16Å; D2378-D2382 WeakPolarHBondContact O-CB 3.36Å; D2378-D2382 PolarHBondContact O-N 2.96Å |
| 2379 | T | 90.6 | Very high | 91.1 | Very high | 7.5 Ų | 7.5 | 36.5 Ų | 36.5 | 5% | 0.046 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.1 | -41.5 | 175.8 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | V2375 F2376 V2377 R2381 D2382 Q2383 T2386 F2387 L2390 | V2375-T2379 WeakPolarHBondContact O-CB 3.45Å; V2375-T2379 PolarHBondContact O-N 2.89Å; V2375-T2379 PolarHBondContact O-OG1 3.12Å; F2376-T2379 CarbonylContact O-C 3.59Å; F2376-T2379 WeakPolarHBondContact O-CB 3.29Å; F2376-T2379 PolarHBondContact O-N 3.03Å; F2376-T2379 VanDerWaalsContact O-N 3.14Å; V2377-T2379 VanDerWaalsContact C-N 3.31Å; V2377-T2379 PolarHBondContact O-N 3.44Å; T2379-R2381 VanDerWaalsContact C-N 3.3Å; T2379-R2381 PolarHBondContact O-N 3.1Å; T2379-D2382 PolarHBondContact O-N 3.38Å; T2379-Q2383 HydrophobicContact CG2-CB 4.47Å; T2379-Q2383 CarbonylContact O-C 3.43Å; T2379-Q2383 VanDerWaalsContact O-CA 3.31Å; T2379-Q2383 WeakPolarHBondContact O-CA 3.33Å; T2379-Q2383 PolarHBondContact O-N 3.23Å; T2379-Q2383 VanDerWaalsContact O-O 3.06Å; T2379-T2386 WeakPolarHBondContact CG2-OG1 3.27Å; T2379-F2387 HydrophobicContact CG2-CB 4.17Å; T2379-L2390 HydrophobicContact CG2-CD1 3.96Å |
| 2380 | I | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.3 | -42.8 | 174.4 | -64.2 | 166 | 0 | 0 | 0 | 110.2 | V2348 I2351 S2352 L2355 L2372 F2376 V2377 F2387 | V2348-I2380 HydrophobicContact CG1-CG1 4.27Å; V2348-I2380 HydrophobicContact CG1-CG2 4.16Å; I2351-I2380 HydrophobicContact CB-CG2 4.13Å; I2351-I2380 HydrophobicContact CG2-CG2 3.83Å; S2352-I2380 WeakPolarHBondContact CB-O 3.25Å; S2352-I2380 PolarHBondContact OG-O 3.02Å; L2355-I2380 HydrophobicContact CD1-CB 4.15Å; L2355-I2380 HydrophobicContact CD1-CG2 3.86Å; L2372-I2380 HydrophobicContact CD1-CD1 3.89Å; F2376-I2380 VanDerWaalsContact O-CG1 3.31Å; F2376-I2380 WeakPolarHBondContact O-CG1 3.39Å; F2376-I2380 PolarHBondContact O-N 3.21Å; V2377-I2380 PolarHBondContact O-N 3.18Å; I2380-F2387 HydrophobicContact CD1-CD2 3.96Å; I2380-F2387 HydrophobicContact CD1-CE1 4.32Å; I2380-F2387 HydrophobicContact CD1-CE2 3.71Å; I2380-F2387 HydrophobicContact CD1-CG 4.38Å; I2380-F2387 HydrophobicContact CD1-CZ 3.89Å; I2380-F2387 HydrophobicContact CG1-CB 4.23Å; I2380-F2387 HydrophobicContact CG1-CD1 4.13Å; I2380-F2387 HydrophobicContact CG1-CD2 3.43Å; I2380-F2387 VanDerWaalsContact CG1-CD2 3.43Å; I2380-F2387 HydrophobicContact CG1-CE1 4.38Å; I2380-F2387 HydrophobicContact CG1-CE2 3.76Å; I2380-F2387 HydrophobicContact CG1-CG 3.63Å; I2380-F2387 HydrophobicContact CG1-CZ 4.2Å |
| 2381 | R | 92.1 | Very high | 91.1 | Very high | 66 Ų | 66 | 36.7 Ų | 36.7 | 25% | 0.249 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.9 | -45.8 | 179.5 | -173.3 | -174.8 | 64.9 | -128.9 | -14.2 | 112.7 | L2355 Q2365 V2377 D2378 T2379 | L2355-R2381 HydrophobicContact CB-CB 4.31Å; L2355-R2381 HydrophobicContact CB-CG 4.23Å; L2355-R2381 HydrophobicContact CD1-CB 4.14Å; Q2365-R2381 VanDerWaalsContact NE2-NH1 3.17Å; V2377-R2381 PolarHBondContact O-N 3.18Å; D2378-R2381 PolarHBondContact O-N 3.06Å; D2378-R2381 IonicContact OD1-CZ 3.12Å; D2378-R2381 VanDerWaalsContact OD1-CZ 3.22Å; D2378-R2381 IonicContact OD1-NH1 3.41Å; D2378-R2381 PolarHBondContact OD1-NH1 3.18Å; D2378-R2381 IonicContact OD1-NH2 3.38Å; D2378-R2381 PolarHBondContact OD1-NH2 3.16Å; T2379-R2381 VanDerWaalsContact C-N 3.3Å; T2379-R2381 PolarHBondContact O-N 3.1Å |
| 2382 | D | 90.5 | Very high | 91 | Very high | 102.5 Ų | 102.5 | 39.7 Ų | 39.7 | 55% | 0.548 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -99.4 | -32.3 | -166.4 | -57.7 | -28.7 | 0 | 0 | 0 | 112.8 | D2378 T2379 | D2378-D2382 WeakPolarHBondContact O-CB 3.36Å; D2378-D2382 PolarHBondContact O-N 2.96Å; T2379-D2382 PolarHBondContact O-N 3.38Å |
| 2383 | Q | 91.5 | Very high | 90.9 | Very high | 124 Ų | 124 | 41.3 Ų | 41.3 | 58% | 0.579 | 23% | 0.227 | S | C | * | . | trans | -146.2 | 66.9 | -176.7 | -64.5 | -172.4 | -17.6 | 0 | 0 | 112.2 | T2379 E2385 T2386 | T2379-Q2383 HydrophobicContact CG2-CB 4.47Å; T2379-Q2383 CarbonylContact O-C 3.43Å; T2379-Q2383 VanDerWaalsContact O-CA 3.31Å; T2379-Q2383 WeakPolarHBondContact O-CA 3.33Å; T2379-Q2383 PolarHBondContact O-N 3.23Å; T2379-Q2383 VanDerWaalsContact O-O 3.06Å; Q2383-E2385 VanDerWaalsContact C-N 3.26Å; Q2383-E2385 PolarHBondContact O-N 3.18Å; Q2383-T2386 PolarHBondContact O-N 3.16Å; Q2383-T2386 VanDerWaalsContact O-N 3.11Å; Q2383-T2386 PolarHBondContact O-OG1 3.25Å | ||
| 2384 | P | 92.9 | Very high | 91 | Very high | 24 Ų | 24 | 45.3 Ų | 45.3 | 16% | 0.156 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59 | -33.7 | -174.4 | 22.6 | -33.3 | 0 | 0 | 0 | 113.8 | Q2345 V2348 T2386 F2387 | Q2345-P2384 PolarHBondContact NE2-O 3.5Å; V2348-P2384 HydrophobicContact CG1-CB 3.77Å; V2348-P2384 WeakPolarHBondContact CG1-O 3.32Å; P2384-T2386 VanDerWaalsContact C-N 3.26Å; P2384-T2386 PolarHBondContact O-N 3.24Å; P2384-F2387 VanDerWaalsContact O-CB 3.26Å; P2384-F2387 WeakPolarHBondContact O-CB 3.27Å; P2384-F2387 PolarHBondContact O-N 3.15Å |
| 2385 | E | 91.9 | Very high | 91 | Very high | 134 Ų | 134 | 45.5 Ų | 45.5 | 63% | 0.626 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.5 | -27.5 | 179.9 | -53.3 | -61.7 | 174.5 | 0 | 0 | 114.3 | Q2345 Q2383 | Q2345-E2385 PolarHBondContact NE2-OE2 3.27Å; Q2383-E2385 VanDerWaalsContact C-N 3.26Å; Q2383-E2385 PolarHBondContact O-N 3.18Å |
| 2386 | T | 90.9 | Very high | 91 | Very high | 55.5 Ų | 55.5 | 50.8 Ų | 50.8 | 34% | 0.34 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -92.1 | -14.4 | -179 | 62.6 | 0 | 0 | 0 | 0 | 112.5 | T2379 Q2383 P2384 L2388 A2389 L2390 | T2379-T2386 WeakPolarHBondContact CG2-OG1 3.27Å; Q2383-T2386 PolarHBondContact O-N 3.16Å; Q2383-T2386 VanDerWaalsContact O-N 3.11Å; Q2383-T2386 PolarHBondContact O-OG1 3.25Å; P2384-T2386 VanDerWaalsContact C-N 3.26Å; P2384-T2386 PolarHBondContact O-N 3.24Å; T2386-L2388 PolarHBondContact O-N 3.01Å; T2386-A2389 PolarHBondContact O-N 3.44Å; T2386-L2390 WeakPolarHBondContact O-CG 3.38Å; T2386-L2390 PolarHBondContact O-N 3.26Å |
| 2387 | F | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.2 | -47.1 | -171.4 | 166.4 | -97.5 | 0 | 0 | 0 | 112.4 | I2335 V2348 L2372 F2376 T2379 I2380 P2384 A2389 L2390 F2391 | I2335-F2387 HydrophobicContact CD1-CE1 4.44Å; I2335-F2387 HydrophobicContact CG2-CE1 3.87Å; I2335-F2387 HydrophobicContact CG2-CZ 4.33Å; V2348-F2387 HydrophobicContact CB-CD1 4.23Å; V2348-F2387 HydrophobicContact CG1-CB 4.02Å; V2348-F2387 HydrophobicContact CG1-CD1 3.77Å; V2348-F2387 HydrophobicContact CG1-CG 4.14Å; V2348-F2387 HydrophobicContact CG2-CD1 3.35Å; V2348-F2387 HydrophobicContact CG2-CE1 3.6Å; V2348-F2387 HydrophobicContact CG2-CG 4.46Å; L2372-F2387 HydrophobicContact CD1-CE2 4.49Å; L2372-F2387 HydrophobicContact CD1-CZ 4.47Å; F2376-F2387 HydrophobicContact CB-CD2 4.33Å; F2376-F2387 HydrophobicContact CB-CE2 3.81Å; F2376-F2387 AromaticContact CD1-CD2 3.84Å; F2376-F2387 HydrophobicContact CD1-CD2 3.84Å; F2376-F2387 AromaticContact CD1-CE2 3.6Å; F2376-F2387 HydrophobicContact CD1-CE2 3.6Å; F2376-F2387 HydrophobicContact CE1-CE2 4.49Å; F2376-F2387 HydrophobicContact CG-CD2 4.49Å; F2376-F2387 AromaticContact CG-CE2 3.96Å; F2376-F2387 HydrophobicContact CG-CE2 3.96Å; T2379-F2387 HydrophobicContact CG2-CB 4.17Å; I2380-F2387 HydrophobicContact CD1-CD2 3.96Å; I2380-F2387 HydrophobicContact CD1-CE1 4.32Å; I2380-F2387 HydrophobicContact CD1-CE2 3.71Å; I2380-F2387 HydrophobicContact CD1-CG 4.38Å; I2380-F2387 HydrophobicContact CD1-CZ 3.89Å; I2380-F2387 HydrophobicContact CG1-CB 4.23Å; I2380-F2387 HydrophobicContact CG1-CD1 4.13Å; I2380-F2387 HydrophobicContact CG1-CD2 3.43Å; I2380-F2387 VanDerWaalsContact CG1-CD2 3.43Å; I2380-F2387 HydrophobicContact CG1-CE1 4.38Å; I2380-F2387 HydrophobicContact CG1-CE2 3.76Å; I2380-F2387 HydrophobicContact CG1-CG 3.63Å; I2380-F2387 HydrophobicContact CG1-CZ 4.2Å; P2384-F2387 VanDerWaalsContact O-CB 3.26Å; P2384-F2387 WeakPolarHBondContact O-CB 3.27Å; P2384-F2387 PolarHBondContact O-N 3.15Å; F2387-A2389 VanDerWaalsContact C-N 3.33Å; F2387-A2389 PolarHBondContact O-N 2.9Å; F2387-L2390 CarbonylContact O-C 3.54Å; F2387-L2390 PolarHBondContact O-N 3.26Å; F2387-L2390 VanDerWaalsContact O-N 3.15Å; F2387-F2391 HydrophobicContact CD1-CB 4.48Å; F2387-F2391 HydrophobicContact CE1-CB 4.08Å; F2387-F2391 HydrophobicContact CE1-CD2 4.26Å; F2387-F2391 HydrophobicContact CE1-CG 4.23Å; F2387-F2391 HydrophobicContact CE2-CB 4.15Å; F2387-F2391 HydrophobicContact CE2-CD2 4.04Å; F2387-F2391 HydrophobicContact CE2-CG 4.48Å; F2387-F2391 HydrophobicContact CZ-CB 3.9Å; F2387-F2391 AromaticContact CZ-CD2 3.51Å; F2387-F2391 HydrophobicContact CZ-CD2 3.51Å; F2387-F2391 HydrophobicContact CZ-CE2 4.28Å; F2387-F2391 AromaticContact CZ-CG 3.89Å; F2387-F2391 HydrophobicContact CZ-CG 3.89Å; F2387-F2391 VanDerWaalsContact O-CB 3.28Å; F2387-F2391 WeakPolarHBondContact O-CB 3.33Å; F2387-F2391 PolarHBondContact O-N 2.9Å |
| 2388 | L | 92.6 | Very high | 90.3 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.9 | -39.8 | -176.1 | -69 | -176.7 | 0 | 0 | 0 | 112.7 | I2335 Q2341 R2344 Q2345 V2348 T2386 L2390 F2391 D2392 | I2335-L2388 HydrophobicContact CG2-CD2 4.43Å; Q2341-L2388 HydrophobicContact CG-CD1 4.3Å; R2344-L2388 HydrophobicContact CB-CD1 3.7Å; R2344-L2388 HydrophobicContact CB-CD2 3.87Å; R2344-L2388 HydrophobicContact CB-CG 4.47Å; Q2345-L2388 HydrophobicContact CB-CD1 3.93Å; V2348-L2388 HydrophobicContact CG2-CD2 3.85Å; V2348-L2388 HydrophobicContact CG2-CG 4.27Å; T2386-L2388 PolarHBondContact O-N 3.01Å; L2388-L2390 VanDerWaalsContact C-N 3.3Å; L2388-L2390 PolarHBondContact O-N 3.16Å; L2388-F2391 PolarHBondContact O-N 3.26Å; L2388-D2392 WeakPolarHBondContact O-CB 3.28Å; L2388-D2392 PolarHBondContact O-N 3.44Å |
| 2389 | A | 89.9 | Confident | 90.1 | Very high | 72.5 Ų | 72.5 | 50.9 Ų | 50.9 | 60% | 0.599 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62.9 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T2386 F2387 A2393 | T2386-A2389 PolarHBondContact O-N 3.44Å; F2387-A2389 VanDerWaalsContact C-N 3.33Å; F2387-A2389 PolarHBondContact O-N 2.9Å; A2389-A2393 WeakPolarHBondContact O-CB 3.38Å; A2389-A2393 PolarHBondContact O-N 3.33Å |
| 2390 | L | 89.1 | Confident | 89.9 | Confident | 61 Ų | 61 | 50.8 Ų | 50.8 | 32% | 0.319 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -73.6 | -34 | 175.4 | -65 | 172.7 | 0 | 0 | 0 | 112.3 | F2376 T2379 T2386 F2387 L2388 H2395 | F2376-L2390 HydrophobicContact CE1-CB 4.01Å; T2379-L2390 HydrophobicContact CG2-CD1 3.96Å; T2386-L2390 WeakPolarHBondContact O-CG 3.38Å; T2386-L2390 PolarHBondContact O-N 3.26Å; F2387-L2390 CarbonylContact O-C 3.54Å; F2387-L2390 PolarHBondContact O-N 3.26Å; F2387-L2390 VanDerWaalsContact O-N 3.15Å; L2388-L2390 VanDerWaalsContact C-N 3.3Å; L2388-L2390 PolarHBondContact O-N 3.16Å; L2390-H2395 WeakPolarHBondContact CA-NE2 3.36Å; L2390-H2395 PolarHBondContact O-CD2 2.77Å; L2390-H2395 PolarHBondContact O-NE2 3.24Å; L2390-H2395 VanDerWaalsContact O-NE2 3.07Å |
| 2391 | F | 92.2 | Very high | 89.4 | Confident | 5.5 Ų | 5.5 | 51.6 Ų | 51.6 | 2% | 0.024 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.6 | -37.9 | 179.3 | -179.2 | -90.6 | 0 | 0 | 0 | 111.2 | I2335 L2372 F2376 F2387 L2388 W2402 R2407 L2410 | I2335-F2391 HydrophobicContact CG2-CE1 4.36Å; I2335-F2391 HydrophobicContact CG2-CZ 4.36Å; L2372-F2391 HydrophobicContact CD2-CD2 4.46Å; L2372-F2391 HydrophobicContact CD2-CE2 4Å; F2376-F2391 HydrophobicContact CE1-CB 4.4Å; F2387-F2391 HydrophobicContact CD1-CB 4.48Å; F2387-F2391 HydrophobicContact CE1-CB 4.08Å; F2387-F2391 HydrophobicContact CE1-CD2 4.26Å; F2387-F2391 HydrophobicContact CE1-CG 4.23Å; F2387-F2391 HydrophobicContact CE2-CB 4.15Å; F2387-F2391 HydrophobicContact CE2-CD2 4.04Å; F2387-F2391 HydrophobicContact CE2-CG 4.48Å; F2387-F2391 HydrophobicContact CZ-CB 3.9Å; F2387-F2391 AromaticContact CZ-CD2 3.51Å; F2387-F2391 HydrophobicContact CZ-CD2 3.51Å; F2387-F2391 HydrophobicContact CZ-CE2 4.28Å; F2387-F2391 AromaticContact CZ-CG 3.89Å; F2387-F2391 HydrophobicContact CZ-CG 3.89Å; F2387-F2391 VanDerWaalsContact O-CB 3.28Å; F2387-F2391 WeakPolarHBondContact O-CB 3.33Å; F2387-F2391 PolarHBondContact O-N 2.9Å; L2388-F2391 PolarHBondContact O-N 3.26Å; F2391-W2402 AromaticContact CD2-CZ2 3.9Å; F2391-W2402 HydrophobicContact CD2-CZ2 3.9Å; F2391-W2402 AromaticContact CD2-NE1 3.91Å; F2391-W2402 HydrophobicContact CE2-CH2 4.29Å; F2391-W2402 AromaticContact CE2-CZ2 3.37Å; F2391-W2402 HydrophobicContact CE2-CZ2 3.37Å; F2391-W2402 AromaticContact CZ-CZ2 3.88Å; F2391-W2402 HydrophobicContact CZ-CZ2 3.88Å; F2391-W2402 VanDerWaalsContact O-CD1 3.29Å; F2391-W2402 PolarHBondContact O-NE1 3.03Å; F2391-R2407 HydrophobicContact CZ-CG 4.48Å; F2391-R2407 VanDerWaalsContact O-CD 3.32Å; F2391-R2407 WeakPolarHBondContact O-CD 3.27Å; F2391-L2410 HydrophobicContact CE2-CD2 4.23Å; F2391-L2410 HydrophobicContact CZ-CD2 4.4Å |
| 2392 | D | 90.9 | Very high | 89.2 | Confident | 68 Ų | 68 | 48.5 Ų | 48.5 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -82.2 | -20.8 | -178.5 | -71.6 | -24.4 | 0 | 0 | 0 | 113.8 | R2344 L2388 R2407 | R2344-D2392 IonicContact CZ-OD1 3.54Å; R2344-D2392 IonicContact CZ-OD2 2.99Å; R2344-D2392 IonicContact NH1-OD1 3.49Å; R2344-D2392 PolarHBondContact NH1-OD1 3.35Å; R2344-D2392 IonicContact NH1-OD2 3.19Å; R2344-D2392 PolarHBondContact NH1-OD2 3.11Å; R2344-D2392 VanDerWaalsContact NH2-CG 3.35Å; R2344-D2392 IonicContact NH2-OD1 3.08Å; R2344-D2392 PolarHBondContact NH2-OD1 3.14Å; R2344-D2392 IonicContact NH2-OD2 3.45Å; R2344-D2392 PolarHBondContact NH2-OD2 2.82Å; L2388-D2392 WeakPolarHBondContact O-CB 3.28Å; L2388-D2392 PolarHBondContact O-N 3.44Å; D2392-R2407 PolarHBondContact O-NH1 3.32Å; D2392-R2407 PolarHBondContact O-NH2 2.97Å; D2392-R2407 VanDerWaalsContact O-NH2 3.09Å |
| 2393 | A | 90.7 | Very high | 89 | Confident | 36.5 Ų | 36.5 | 44.8 Ų | 44.8 | 30% | 0.302 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -78.8 | 148.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A2389 | A2389-A2393 WeakPolarHBondContact O-CB 3.38Å; A2389-A2393 PolarHBondContact O-N 3.33Å |
| 2394 | D | 89.7 | Confident | 88.8 | Confident | 97.5 Ų | 97.5 | 42.2 Ų | 42.2 | 52% | 0.521 | 24% | 0.239 | S | C | . | . | trans | -80.9 | 128.1 | 168.6 | -68.5 | -24.4 | 0 | 0 | 0 | 109 | W2402 D2403 S2404 R2407 | D2394-W2402 CarbonylContact C-O 3.5Å; D2394-W2402 WeakPolarHBondContact CA-O 3.49Å; D2394-D2403 VanDerWaalsContact OD1-CA 3.28Å; D2394-D2403 WeakPolarHBondContact OD1-CA 3.36Å; D2394-S2404 PolarHBondContact OD1-N 2.85Å; D2394-R2407 IonicContact OD1-CZ 3.57Å; D2394-R2407 IonicContact OD1-NH2 3.21Å; D2394-R2407 PolarHBondContact OD1-NH2 3.44Å | ||
| 2395 | H | 87.9 | Confident | 88.5 | Confident | 45.5 Ų | 45.5 | 44.7 Ų | 44.7 | 21% | 0.211 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 121.6 | -179.3 | -65.5 | -41.9 | 0 | 0 | 0 | 109.7 | L2390 V2400 I2401 W2402 | L2390-H2395 WeakPolarHBondContact CA-NE2 3.36Å; L2390-H2395 PolarHBondContact O-CD2 2.77Å; L2390-H2395 PolarHBondContact O-NE2 3.24Å; L2390-H2395 VanDerWaalsContact O-NE2 3.07Å; H2395-V2400 HydrophobicContact CB-CB 4.49Å; H2395-V2400 HydrophobicContact CB-CG1 4.08Å; H2395-I2401 CarbonylContact O-C 3.43Å; H2395-I2401 WeakPolarHBondContact O-CA 3.42Å; H2395-W2402 HydrophobicContact CB-CB 4.33Å; H2395-W2402 PolarHBondContact N-O 3.37Å; H2395-W2402 PolarHBondContact O-N 2.84Å |
| 2396 | E | 84.9 | Confident | 88.4 | Confident | 124 Ų | 124 | 38.5 Ų | 38.5 | 58% | 0.579 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 88.1 | 170.5 | -171.1 | 173.2 | -177.6 | 0 | 0 | 107.8 | L2481 | E2396-L2481 HydrophobicContact CG-CD1 4.15Å; E2396-L2481 HydrophobicContact CG-CD2 4.28Å |
| 2397 | N | 86.9 | Confident | 88.3 | Confident | 27 Ų | 27 | 38.3 Ų | 38.3 | 14% | 0.144 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -141.3 | 169.9 | -178.7 | 69.1 | 44.4 | 0 | 0 | 0 | 110.8 | E2399 V2400 L2481 W2488 | N2397-E2399 PolarHBondContact O-N 3.02Å; N2397-E2399 VanDerWaalsContact O-N 3.08Å; N2397-E2399 PolarHBondContact OD1-N 3.09Å; N2397-E2399 VanDerWaalsContact OD1-N 3.09Å; N2397-V2400 PolarHBondContact N-O 3.47Å; N2397-V2400 CarbonylContact O-C 3.53Å; N2397-V2400 PolarHBondContact O-N 3.34Å; N2397-V2400 VanDerWaalsContact O-O 3.04Å; N2397-V2400 PolarHBondContact OD1-N 3.11Å; N2397-V2400 PolarHBondContact OD1-O 2.98Å; N2397-L2481 WeakPolarHBondContact O-CD1 3.47Å; N2397-W2488 HydrophobicContact CB-CE3 4.41Å; N2397-W2488 HydrophobicContact CB-CH2 3.37Å; N2397-W2488 HydrophobicContact CB-CZ2 3.64Å; N2397-W2488 HydrophobicContact CB-CZ3 3.79Å |
| 2398 | P | 83.9 | Confident | 88 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -55.5 | -28 | -175.7 | -30.9 | 39.3 | 0 | 0 | 0 | 115.4 | V2477 Y2478 L2481 Y2482 H2485 W2488 L2490 | P2398-V2477 HydrophobicContact CB-CG1 3.97Å; P2398-V2477 CarbonylContact O-C 3.33Å; P2398-V2477 WeakPolarHBondContact O-CA 3.49Å; P2398-V2477 WeakPolarHBondContact O-CG1 3.33Å; P2398-Y2478 PolarHBondContact O-N 2.79Å; P2398-L2481 HydrophobicContact CG-CB 4.41Å; P2398-Y2482 HydrophobicContact CB-CD2 3.97Å; P2398-Y2482 HydrophobicContact CB-CG 4.44Å; P2398-Y2482 HydrophobicContact CG-CD2 4.1Å; P2398-H2485 HydrophobicContact CG-CB 4.35Å; P2398-W2488 HydrophobicContact CB-CG 4.25Å; P2398-W2488 HydrophobicContact CG-CB 3.96Å; P2398-W2488 HydrophobicContact CG-CD2 3.92Å; P2398-W2488 HydrophobicContact CG-CG 3.6Å; P2398-L2490 HydrophobicContact CB-CD2 4.49Å |
| 2399 | E | 83.7 | Confident | 87.8 | Confident | 14 Ų | 14 | 41.5 Ų | 41.5 | 7% | 0.065 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -97.5 | -23.5 | -177.7 | -59 | -171.9 | 157.9 | 0 | 0 | 113 | V2375 N2397 L2490 R2491 | V2375-E2399 HydrophobicContact CG2-CB 4.04Å; N2397-E2399 PolarHBondContact O-N 3.02Å; N2397-E2399 VanDerWaalsContact O-N 3.08Å; N2397-E2399 PolarHBondContact OD1-N 3.09Å; N2397-E2399 VanDerWaalsContact OD1-N 3.09Å; E2399-L2490 HydrophobicContact CG-CD2 4.17Å; E2399-L2490 WeakPolarHBondContact OE1-CA 3.35Å; E2399-R2491 PolarHBondContact OE1-N 3.32Å; E2399-R2491 IonicContact OE2-CZ 2.86Å; E2399-R2491 IonicContact OE2-NE 3.69Å; E2399-R2491 PolarHBondContact OE2-NE 3.12Å; E2399-R2491 IonicContact OE2-NH2 3.18Å |
| 2400 | V | 86.1 | Confident | 88 | Confident | 6 Ų | 6 | 38 Ų | 38 | 4% | 0.036 | 21% | 0.207 | C | C | . | . | trans | -142.4 | 124.1 | -172 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | V2375 F2376 H2395 N2397 W2402 | V2375-V2400 HydrophobicContact CB-CG2 3.53Å; V2375-V2400 HydrophobicContact CG1-CG2 3.62Å; V2375-V2400 HydrophobicContact CG2-CG2 3.62Å; F2376-V2400 HydrophobicContact CE2-CG1 3.87Å; F2376-V2400 HydrophobicContact CZ-CG1 4.12Å; H2395-V2400 HydrophobicContact CB-CB 4.49Å; H2395-V2400 HydrophobicContact CB-CG1 4.08Å; N2397-V2400 PolarHBondContact N-O 3.47Å; N2397-V2400 CarbonylContact O-C 3.53Å; N2397-V2400 PolarHBondContact O-N 3.34Å; N2397-V2400 VanDerWaalsContact O-O 3.04Å; N2397-V2400 PolarHBondContact OD1-N 3.11Å; N2397-V2400 PolarHBondContact OD1-O 2.98Å; V2400-W2402 HydrophobicContact CG1-CB 3.62Å | ||
| 2401 | I | 84 | Confident | 88.1 | Confident | 16 Ų | 16 | 36.6 Ų | 36.6 | 8% | 0.082 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 110.5 | 160.6 | -60 | 171.7 | 0 | 0 | 0 | 105.6 | H2395 L2406 I2447 Y2478 L2481 | H2395-I2401 CarbonylContact O-C 3.43Å; H2395-I2401 WeakPolarHBondContact O-CA 3.42Å; I2401-L2406 HydrophobicContact CG2-CD1 3.96Å; I2401-L2406 VanDerWaalsContact O-CD1 3.29Å; I2401-L2406 WeakPolarHBondContact O-CD1 3.3Å; I2401-I2447 HydrophobicContact CB-CD1 4.1Å; I2401-I2447 HydrophobicContact CD1-CD1 4.07Å; I2401-I2447 HydrophobicContact CD1-CG2 4.06Å; I2401-I2447 HydrophobicContact CG2-CD1 3.99Å; I2401-I2447 HydrophobicContact CG2-CG1 4.12Å; I2401-Y2478 HydrophobicContact CB-CE2 3.98Å; I2401-Y2478 HydrophobicContact CD1-CD1 3.69Å; I2401-Y2478 HydrophobicContact CD1-CD2 3.69Å; I2401-Y2478 HydrophobicContact CD1-CE1 3.78Å; I2401-Y2478 HydrophobicContact CD1-CE2 3.78Å; I2401-Y2478 HydrophobicContact CD1-CG 3.63Å; I2401-Y2478 HydrophobicContact CG1-CD2 3.64Å; I2401-Y2478 HydrophobicContact CG1-CE1 4.49Å; I2401-Y2478 HydrophobicContact CG1-CE2 3.6Å; I2401-Y2478 HydrophobicContact CG1-CG 4.12Å; I2401-L2481 HydrophobicContact CD1-CD1 3.62Å; I2401-L2481 HydrophobicContact CG1-CD1 3.51Å |
| 2402 | W | 88.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 109.4 | -177.8 | -166.1 | -115.1 | 0 | 0 | 0 | 108.7 | L2372 P2373 F2376 F2391 D2394 H2395 V2400 L2406 R2407 L2410 Y2443 | L2372-W2402 HydrophobicContact CD2-CH2 4.48Å; P2373-W2402 HydrophobicContact CG-CE3 4.02Å; P2373-W2402 HydrophobicContact CG-CZ3 4.21Å; F2376-W2402 HydrophobicContact CE2-CB 3.87Å; F2376-W2402 AromaticContact CE2-CD1 3.82Å; F2376-W2402 AromaticContact CE2-CD2 3.57Å; F2376-W2402 HydrophobicContact CE2-CD2 3.57Å; F2376-W2402 AromaticContact CE2-CE2 3.96Å; F2376-W2402 HydrophobicContact CE2-CE3 4.06Å; F2376-W2402 AromaticContact CE2-CG 3.48Å; F2376-W2402 HydrophobicContact CE2-CG 3.48Å; F2376-W2402 VanDerWaalsContact CE2-CG 3.48Å; F2376-W2402 HydrophobicContact CZ-CB 4Å; F2376-W2402 AromaticContact CZ-CD1 3.5Å; F2376-W2402 HydrophobicContact CZ-CD2 4.09Å; F2376-W2402 AromaticContact CZ-CG 3.59Å; F2376-W2402 HydrophobicContact CZ-CG 3.59Å; F2376-W2402 AromaticContact CZ-NE1 3.89Å; F2391-W2402 AromaticContact CD2-CZ2 3.9Å; F2391-W2402 HydrophobicContact CD2-CZ2 3.9Å; F2391-W2402 AromaticContact CD2-NE1 3.91Å; F2391-W2402 HydrophobicContact CE2-CH2 4.29Å; F2391-W2402 AromaticContact CE2-CZ2 3.37Å; F2391-W2402 HydrophobicContact CE2-CZ2 3.37Å; F2391-W2402 AromaticContact CZ-CZ2 3.88Å; F2391-W2402 HydrophobicContact CZ-CZ2 3.88Å; F2391-W2402 VanDerWaalsContact O-CD1 3.29Å; F2391-W2402 PolarHBondContact O-NE1 3.03Å; D2394-W2402 CarbonylContact C-O 3.5Å; D2394-W2402 WeakPolarHBondContact CA-O 3.49Å; H2395-W2402 HydrophobicContact CB-CB 4.33Å; H2395-W2402 PolarHBondContact N-O 3.37Å; H2395-W2402 PolarHBondContact O-N 2.84Å; V2400-W2402 HydrophobicContact CG1-CB 3.62Å; W2402-L2406 HydrophobicContact CE3-CB 4.09Å; W2402-L2406 HydrophobicContact CZ3-CB 4.09Å; W2402-R2407 HydrophobicContact CD2-CG 4.29Å; W2402-R2407 HydrophobicContact CH2-CG 4.25Å; W2402-R2407 HydrophobicContact CZ2-CB 4.29Å; W2402-R2407 HydrophobicContact CZ2-CG 3.32Å; W2402-R2407 VanDerWaalsContact NE1-CG 3.31Å; W2402-L2410 HydrophobicContact CH2-CB 4.26Å; W2402-L2410 HydrophobicContact CH2-CD2 3.72Å; W2402-L2410 HydrophobicContact CZ2-CD2 4.2Å; W2402-Y2443 WeakPolarHBondContact CH2-OH 3.22Å; W2402-Y2443 AromaticContact CZ3-CE1 3.94Å; W2402-Y2443 HydrophobicContact CZ3-CE1 3.94Å; W2402-Y2443 HydrophobicContact CZ3-CE2 4.28Å; W2402-Y2443 AromaticContact CZ3-CZ 3.64Å; W2402-Y2443 WeakPolarHBondContact CZ3-OH 3.47Å |
| 2403 | D | 85.9 | Confident | 88.1 | Confident | 25 Ų | 25 | 41.5 Ų | 41.5 | 13% | 0.134 | 22% | 0.221 | C | C | . | . | trans | -126.7 | 171.7 | 176.4 | 68 | 14.3 | 0 | 0 | 0 | 110.7 | D2394 N2405 L2406 R2407 K2450 | D2394-D2403 VanDerWaalsContact OD1-CA 3.28Å; D2394-D2403 WeakPolarHBondContact OD1-CA 3.36Å; D2403-N2405 PolarHBondContact O-N 3.43Å; D2403-N2405 WeakPolarHBondContact OD1-CA 3.31Å; D2403-N2405 VanDerWaalsContact OD1-CB 3.3Å; D2403-N2405 WeakPolarHBondContact OD1-CB 3.32Å; D2403-N2405 PolarHBondContact OD1-N 2.78Å; D2403-L2406 PolarHBondContact O-N 3.21Å; D2403-L2406 WeakPolarHBondContact OD1-CG 3.39Å; D2403-L2406 PolarHBondContact OD1-N 3.02Å; D2403-R2407 WeakPolarHBondContact O-CG 3.15Å; D2403-R2407 PolarHBondContact O-N 3.24Å; D2403-K2450 IonicContact OD2-NZ 3.33Å; D2403-K2450 PolarHBondContact OD2-NZ 3.41Å | ||
| 2404 | S | 87 | Confident | 88.3 | Confident | 71 Ų | 71 | 39.8 Ų | 39.8 | 50% | 0.497 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -52.8 | -31.1 | 174.1 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | D2394 S2408 | D2394-S2404 PolarHBondContact OD1-N 2.85Å; S2404-S2408 WeakPolarHBondContact O-CB 3.28Å; S2404-S2408 PolarHBondContact O-N 2.9Å |
| 2405 | N | 87 | Confident | 88.3 | Confident | 76 Ų | 76 | 37.7 Ų | 37.7 | 41% | 0.406 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -70 | -51.9 | 177.4 | -172.7 | 20.2 | 0 | 0 | 0 | 110.6 | D2403 R2407 S2408 I2409 | D2403-N2405 PolarHBondContact O-N 3.43Å; D2403-N2405 WeakPolarHBondContact OD1-CA 3.31Å; D2403-N2405 VanDerWaalsContact OD1-CB 3.3Å; D2403-N2405 WeakPolarHBondContact OD1-CB 3.32Å; D2403-N2405 PolarHBondContact OD1-N 2.78Å; N2405-R2407 VanDerWaalsContact C-N 3.27Å; N2405-R2407 PolarHBondContact O-N 3.49Å; N2405-S2408 WeakPolarHBondContact O-CB 3.08Å; N2405-S2408 PolarHBondContact O-N 3.36Å; N2405-S2408 PolarHBondContact O-OG 3.4Å; N2405-I2409 VanDerWaalsContact O-CD1 3.31Å; N2405-I2409 WeakPolarHBondContact O-CD1 3.3Å; N2405-I2409 WeakPolarHBondContact O-CG1 3.26Å; N2405-I2409 PolarHBondContact O-N 3.4Å |
| 2406 | L | 88.6 | Confident | 88.4 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.6 | -38.1 | 177.5 | -60.7 | -179.4 | 0 | 0 | 0 | 111.9 | I2401 W2402 D2403 I2409 L2410 Y2443 I2446 I2447 | I2401-L2406 HydrophobicContact CG2-CD1 3.96Å; I2401-L2406 VanDerWaalsContact O-CD1 3.29Å; I2401-L2406 WeakPolarHBondContact O-CD1 3.3Å; W2402-L2406 HydrophobicContact CE3-CB 4.09Å; W2402-L2406 HydrophobicContact CZ3-CB 4.09Å; D2403-L2406 PolarHBondContact O-N 3.21Å; D2403-L2406 WeakPolarHBondContact OD1-CG 3.39Å; D2403-L2406 PolarHBondContact OD1-N 3.02Å; L2406-I2409 HydrophobicContact CD2-CD1 4.28Å; L2406-I2409 PolarHBondContact O-N 3.11Å; L2406-L2410 PolarHBondContact O-N 3.22Å; L2406-Y2443 HydrophobicContact CB-CD1 4.16Å; L2406-Y2443 HydrophobicContact CB-CE1 4.09Å; L2406-Y2443 HydrophobicContact CD2-CD1 3.76Å; L2406-Y2443 HydrophobicContact CG-CD1 4.35Å; L2406-I2446 HydrophobicContact CD2-CB 4.39Å; L2406-I2446 HydrophobicContact CD2-CG2 4.09Å; L2406-I2447 HydrophobicContact CD1-CD1 4.39Å; L2406-I2447 HydrophobicContact CD1-CG1 4.43Å; L2406-I2447 HydrophobicContact CD2-CG1 4.48Å |
| 2407 | R | 89.6 | Confident | 88.7 | Confident | 50 Ų | 50 | 39 Ų | 39 | 19% | 0.189 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.8 | -50 | 169.9 | -77.5 | -176.4 | -79.7 | 167.8 | -7.6 | 112.1 | F2391 D2392 D2394 W2402 D2403 N2405 I2409 L2410 T2411 | F2391-R2407 HydrophobicContact CZ-CG 4.48Å; F2391-R2407 VanDerWaalsContact O-CD 3.32Å; F2391-R2407 WeakPolarHBondContact O-CD 3.27Å; D2392-R2407 PolarHBondContact O-NH1 3.32Å; D2392-R2407 PolarHBondContact O-NH2 2.97Å; D2392-R2407 VanDerWaalsContact O-NH2 3.09Å; D2394-R2407 IonicContact OD1-CZ 3.57Å; D2394-R2407 IonicContact OD1-NH2 3.21Å; D2394-R2407 PolarHBondContact OD1-NH2 3.44Å; W2402-R2407 HydrophobicContact CD2-CG 4.29Å; W2402-R2407 HydrophobicContact CH2-CG 4.25Å; W2402-R2407 HydrophobicContact CZ2-CB 4.29Å; W2402-R2407 HydrophobicContact CZ2-CG 3.32Å; W2402-R2407 VanDerWaalsContact NE1-CG 3.31Å; D2403-R2407 WeakPolarHBondContact O-CG 3.15Å; D2403-R2407 PolarHBondContact O-N 3.24Å; N2405-R2407 VanDerWaalsContact C-N 3.27Å; N2405-R2407 PolarHBondContact O-N 3.49Å; R2407-I2409 PolarHBondContact O-N 3.11Å; R2407-L2410 WeakPolarHBondContact O-CB 3.47Å; R2407-L2410 PolarHBondContact O-N 3.27Å; R2407-T2411 PolarHBondContact O-N 3.32Å; R2407-T2411 PolarHBondContact O-OG1 3.32Å |
| 2408 | S | 88.1 | Confident | 89 | Confident | 46 Ų | 46 | 37.7 Ų | 37.7 | 32% | 0.322 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.1 | -33.8 | 179.9 | 81.5 | 0 | 0 | 0 | 0 | 112.8 | S2404 N2405 K2412 | S2404-S2408 WeakPolarHBondContact O-CB 3.28Å; S2404-S2408 PolarHBondContact O-N 2.9Å; N2405-S2408 WeakPolarHBondContact O-CB 3.08Å; N2405-S2408 PolarHBondContact O-N 3.36Å; N2405-S2408 PolarHBondContact O-OG 3.4Å; S2408-K2412 WeakPolarHBondContact O-CG 3.39Å; S2408-K2412 PolarHBondContact O-N 2.78Å |
| 2409 | I | 89.7 | Confident | 89.3 | Confident | 25 Ų | 25 | 42.2 Ų | 42.2 | 13% | 0.128 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.9 | -46.4 | 176.3 | -67.6 | 148.7 | 0 | 0 | 0 | 110.3 | N2405 L2406 R2407 T2411 K2412 V2413 V2441 I2446 | N2405-I2409 VanDerWaalsContact O-CD1 3.31Å; N2405-I2409 WeakPolarHBondContact O-CD1 3.3Å; N2405-I2409 WeakPolarHBondContact O-CG1 3.26Å; N2405-I2409 PolarHBondContact O-N 3.4Å; L2406-I2409 HydrophobicContact CD2-CD1 4.28Å; L2406-I2409 PolarHBondContact O-N 3.11Å; R2407-I2409 PolarHBondContact O-N 3.11Å; I2409-T2411 VanDerWaalsContact C-N 3.3Å; I2409-T2411 PolarHBondContact O-N 3.44Å; I2409-K2412 PolarHBondContact O-N 2.84Å; I2409-V2413 HydrophobicContact CG2-CG2 4.37Å; I2409-V2413 WeakPolarHBondContact O-CG2 3.27Å; I2409-V2413 PolarHBondContact O-N 3.48Å; I2409-V2441 HydrophobicContact CG2-CG1 4.11Å; I2409-I2446 HydrophobicContact CD1-CD1 3.32Å; I2409-I2446 HydrophobicContact CD1-CG1 4.37Å; I2409-I2446 HydrophobicContact CD1-CG2 3.96Å; I2409-I2446 HydrophobicContact CG1-CD1 4.06Å; I2409-I2446 HydrophobicContact CG2-CD1 4.02Å |
| 2410 | L | 93.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.6 | -48.6 | 173.6 | 178.8 | 59.4 | 0 | 0 | 0 | 110.6 | M2332 Y2371 L2372 F2391 W2402 L2406 R2407 K2412 V2413 L2414 V2441 Y2443 | M2332-L2410 HydrophobicContact CE-CD2 4.48Å; Y2371-L2410 HydrophobicContact CD1-CD1 4.19Å; L2372-L2410 HydrophobicContact CD2-CD2 3.75Å; F2391-L2410 HydrophobicContact CE2-CD2 4.23Å; F2391-L2410 HydrophobicContact CZ-CD2 4.4Å; W2402-L2410 HydrophobicContact CH2-CB 4.26Å; W2402-L2410 HydrophobicContact CH2-CD2 3.72Å; W2402-L2410 HydrophobicContact CZ2-CD2 4.2Å; L2406-L2410 PolarHBondContact O-N 3.22Å; R2407-L2410 WeakPolarHBondContact O-CB 3.47Å; R2407-L2410 PolarHBondContact O-N 3.27Å; L2410-K2412 VanDerWaalsContact C-N 3.31Å; L2410-K2412 PolarHBondContact O-N 3Å; L2410-V2413 PolarHBondContact O-N 3.07Å; L2410-L2414 HydrophobicContact CD1-CD1 3.75Å; L2410-L2414 HydrophobicContact CD1-CG 3.91Å; L2410-L2414 HydrophobicContact CD2-CD1 4.42Å; L2410-L2414 HydrophobicContact CG-CD1 3.75Å; L2410-L2414 HydrophobicContact CG-CG 4.32Å; L2410-L2414 WeakPolarHBondContact O-CB 3.39Å; L2410-L2414 WeakPolarHBondContact O-CG 3.28Å; L2410-L2414 PolarHBondContact O-N 3.29Å; L2410-V2441 HydrophobicContact CD1-CG2 4.22Å; L2410-Y2443 WeakPolarHBondContact CB-OH 3.44Å |
| 2411 | T | 91.8 | Very high | 89.8 | Confident | 32 Ų | 32 | 45.5 Ų | 45.5 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.7 | -41 | 177.9 | -52.8 | 0 | 0 | 0 | 0 | 112.1 | C2336 Q2337 R2407 I2409 N2415 | C2336-T2411 HydrophobicContact CB-CG2 4.24Å; Q2337-T2411 HydrophobicContact CG-CG2 3.79Å; R2407-T2411 PolarHBondContact O-N 3.32Å; R2407-T2411 PolarHBondContact O-OG1 3.32Å; I2409-T2411 VanDerWaalsContact C-N 3.3Å; I2409-T2411 PolarHBondContact O-N 3.44Å; T2411-N2415 VanDerWaalsContact O-CB 3.28Å; T2411-N2415 WeakPolarHBondContact O-CB 3.31Å; T2411-N2415 PolarHBondContact O-N 2.72Å; T2411-N2415 PolarHBondContact O-ND2 3.19Å |
| 2412 | K | 91.6 | Very high | 90.1 | Very high | 149 Ų | 149 | 45.9 Ų | 45.9 | 65% | 0.648 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -65.7 | -48.3 | 176.6 | -78.8 | 177.3 | -179.2 | 178.7 | 0 | 112.4 | S2408 I2409 L2410 L2414 N2415 E2416 | S2408-K2412 WeakPolarHBondContact O-CG 3.39Å; S2408-K2412 PolarHBondContact O-N 2.78Å; I2409-K2412 PolarHBondContact O-N 2.84Å; L2410-K2412 VanDerWaalsContact C-N 3.31Å; L2410-K2412 PolarHBondContact O-N 3Å; K2412-L2414 VanDerWaalsContact C-N 3.35Å; K2412-N2415 PolarHBondContact O-N 3.42Å; K2412-E2416 PolarHBondContact O-N 2.9Å |
| 2413 | V | 91.9 | Very high | 90.1 | Very high | 28 Ų | 28 | 50.2 Ų | 50.2 | 17% | 0.17 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.4 | -44 | 179.6 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | I2409 L2410 E2416 Q2417 F2439 V2441 | I2409-V2413 HydrophobicContact CG2-CG2 4.37Å; I2409-V2413 WeakPolarHBondContact O-CG2 3.27Å; I2409-V2413 PolarHBondContact O-N 3.48Å; L2410-V2413 PolarHBondContact O-N 3.07Å; V2413-E2416 PolarHBondContact O-N 2.8Å; V2413-Q2417 WeakPolarHBondContact O-CB 3.46Å; V2413-Q2417 WeakPolarHBondContact O-CG 3.48Å; V2413-Q2417 PolarHBondContact O-N 3.3Å; V2413-Q2417 VanDerWaalsContact O-N 3.1Å; V2413-F2439 HydrophobicContact CG1-CE2 4.47Å; V2413-F2439 HydrophobicContact CG1-CZ 3.84Å; V2413-V2441 HydrophobicContact CG1-CG2 4.38Å |
| 2414 | L | 93.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 175.7 | -74 | 172.1 | 0 | 0 | 0 | 111.2 | M2332 Y2371 L2410 K2412 E2416 Q2417 T2418 | M2332-L2414 HydrophobicContact CB-CD1 3.89Å; M2332-L2414 HydrophobicContact CB-CD2 3.91Å; Y2371-L2414 HydrophobicContact CD1-CD2 3.74Å; Y2371-L2414 HydrophobicContact CD1-CG 4.45Å; Y2371-L2414 HydrophobicContact CE1-CD2 3.76Å; L2410-L2414 HydrophobicContact CD1-CD1 3.75Å; L2410-L2414 HydrophobicContact CD1-CG 3.91Å; L2410-L2414 HydrophobicContact CD2-CD1 4.42Å; L2410-L2414 HydrophobicContact CG-CD1 3.75Å; L2410-L2414 HydrophobicContact CG-CG 4.32Å; L2410-L2414 WeakPolarHBondContact O-CB 3.39Å; L2410-L2414 WeakPolarHBondContact O-CG 3.28Å; L2410-L2414 PolarHBondContact O-N 3.29Å; K2412-L2414 VanDerWaalsContact C-N 3.35Å; L2414-E2416 PolarHBondContact O-N 2.71Å; L2414-Q2417 PolarHBondContact O-N 3.18Å; L2414-T2418 WeakPolarHBondContact O-CB 3.36Å; L2414-T2418 WeakPolarHBondContact O-CG2 3.4Å; L2414-T2418 PolarHBondContact O-N 2.98Å; L2414-T2418 PolarHBondContact O-OG1 2.9Å |
| 2415 | N | 90.2 | Very high | 90.4 | Very high | 53 Ų | 53 | 47.4 Ų | 47.4 | 28% | 0.283 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.6 | -47.5 | 177.1 | -94.9 | -33 | 0 | 0 | 0 | 113.4 | Q2337 T2411 K2412 Q2417 T2418 H2419 | Q2337-N2415 PolarHBondContact NE2-ND2 3.09Å; Q2337-N2415 VanDerWaalsContact NE2-ND2 3.11Å; Q2337-N2415 PolarHBondContact NE2-OD1 2.81Å; T2411-N2415 VanDerWaalsContact O-CB 3.28Å; T2411-N2415 WeakPolarHBondContact O-CB 3.31Å; T2411-N2415 PolarHBondContact O-N 2.72Å; T2411-N2415 PolarHBondContact O-ND2 3.19Å; K2412-N2415 PolarHBondContact O-N 3.42Å; N2415-Q2417 VanDerWaalsContact C-N 3.31Å; N2415-Q2417 PolarHBondContact O-N 3.42Å; N2415-T2418 PolarHBondContact O-OG1 3.18Å; N2415-H2419 VanDerWaalsContact O-CB 3.31Å; N2415-H2419 WeakPolarHBondContact O-CB 3.34Å; N2415-H2419 PolarHBondContact O-CD2 2.99Å; N2415-H2419 PolarHBondContact O-N 2.96Å |
| 2416 | E | 90.9 | Very high | 90.3 | Very high | 149 Ų | 149 | 46.1 Ų | 46.1 | 70% | 0.696 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -62.5 | -42.3 | -179.7 | -171.4 | 175.4 | -179.6 | 0 | 0 | 111 | K2412 V2413 L2414 S2420 | K2412-E2416 PolarHBondContact O-N 2.9Å; V2413-E2416 PolarHBondContact O-N 2.8Å; L2414-E2416 PolarHBondContact O-N 2.71Å; E2416-S2420 WeakPolarHBondContact O-CB 3.33Å; E2416-S2420 PolarHBondContact O-N 2.96Å |
| 2417 | Q | 90.3 | Very high | 90 | Very high | 47 Ų | 47 | 53 Ų | 53 | 22% | 0.22 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.6 | -42.5 | 178.1 | -72.2 | -172.3 | -3 | 0 | 0 | 113.3 | Y2371 V2413 L2414 N2415 S2420 F2421 F2439 | Y2371-Q2417 PolarHBondContact OH-OE1 2.83Å; V2413-Q2417 WeakPolarHBondContact O-CB 3.46Å; V2413-Q2417 WeakPolarHBondContact O-CG 3.48Å; V2413-Q2417 PolarHBondContact O-N 3.3Å; V2413-Q2417 VanDerWaalsContact O-N 3.1Å; L2414-Q2417 PolarHBondContact O-N 3.18Å; N2415-Q2417 VanDerWaalsContact C-N 3.31Å; N2415-Q2417 PolarHBondContact O-N 3.42Å; Q2417-S2420 PolarHBondContact O-N 3.36Å; Q2417-F2421 WeakPolarHBondContact O-CB 3.43Å; Q2417-F2421 PolarHBondContact O-N 2.81Å; Q2417-F2439 VanDerWaalsContact NE2-CE2 3.28Å; Q2417-F2439 VanDerWaalsContact NE2-CZ 3.26Å |
| 2418 | T | 92.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 178.8 | 53 | 0 | 0 | 0 | 0 | 111.4 | I2329 Y2330 L2414 N2415 Y2422 | I2329-T2418 HydrophobicContact CB-CG2 4.2Å; I2329-T2418 HydrophobicContact CD1-CG2 4.1Å; I2329-T2418 HydrophobicContact CG1-CG2 4.22Å; Y2330-T2418 HydrophobicContact CD1-CG2 3.94Å; Y2330-T2418 HydrophobicContact CE1-CG2 4.13Å; L2414-T2418 WeakPolarHBondContact O-CB 3.36Å; L2414-T2418 WeakPolarHBondContact O-CG2 3.4Å; L2414-T2418 PolarHBondContact O-N 2.98Å; L2414-T2418 PolarHBondContact O-OG1 2.9Å; N2415-T2418 PolarHBondContact O-OG1 3.18Å; T2418-Y2422 WeakPolarHBondContact O-CB 3.35Å; T2418-Y2422 PolarHBondContact O-N 2.62Å |
| 2419 | H | 90.8 | Very high | 89.5 | Confident | 95 Ų | 95 | 54.8 Ų | 54.8 | 44% | 0.44 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.8 | -48.6 | 173.6 | -91.2 | -87.7 | 0 | 0 | 0 | 112.1 | F2296 N2415 F2421 N2423 | F2296-H2419 AromaticContact CE2-CD2 3.87Å; F2296-H2419 AromaticContact CE2-CE1 3.95Å; F2296-H2419 AromaticContact CE2-CG 3.89Å; F2296-H2419 AromaticContact CE2-ND1 3.95Å; F2296-H2419 AromaticContact CE2-NE2 3.92Å; F2296-H2419 AromaticContact CZ-CE1 3.45Å; F2296-H2419 VanDerWaalsContact CZ-CE1 3.45Å; F2296-H2419 WeakPolarHBondContact CZ-CE1 3.1Å; F2296-H2419 AromaticContact CZ-CG 3.85Å; F2296-H2419 AromaticContact CZ-ND1 3.43Å; F2296-H2419 WeakPolarHBondContact CZ-ND1 3.26Å; F2296-H2419 AromaticContact CZ-NE2 3.88Å; N2415-H2419 VanDerWaalsContact O-CB 3.31Å; N2415-H2419 WeakPolarHBondContact O-CB 3.34Å; N2415-H2419 PolarHBondContact O-CD2 2.99Å; N2415-H2419 PolarHBondContact O-N 2.96Å; H2419-F2421 VanDerWaalsContact C-N 3.33Å; H2419-F2421 PolarHBondContact O-N 3.18Å; H2419-N2423 VanDerWaalsContact O-CG 3.24Å; H2419-N2423 PolarHBondContact O-N 3.23Å; H2419-N2423 VanDerWaalsContact O-N 3.07Å; H2419-N2423 PolarHBondContact O-ND2 3.28Å |
| 2420 | S | 89.3 | Confident | 89.1 | Confident | 73 Ų | 73 | 59.8 Ų | 59.8 | 51% | 0.51 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | -179.6 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | E2416 Q2417 S2424 | E2416-S2420 WeakPolarHBondContact O-CB 3.33Å; E2416-S2420 PolarHBondContact O-N 2.96Å; Q2417-S2420 PolarHBondContact O-N 3.36Å; S2420-S2424 PolarHBondContact O-N 3.4Å; S2420-S2424 PolarHBondContact O-OG 3.42Å |
| 2421 | F | 91.8 | Very high | 88.8 | Confident | 16 Ų | 16 | 63.1 Ų | 63.1 | 7% | 0.07 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -72.6 | -43.3 | -179.9 | -169.8 | -112.2 | 0 | 0 | 0 | 112.1 | A2325 I2329 Y2330 Q2417 H2419 N2423 S2424 Q2425 M2431 W2433 | A2325-F2421 WeakPolarHBondContact O-CE1 3.32Å; I2329-F2421 HydrophobicContact CD1-CB 4.16Å; I2329-F2421 HydrophobicContact CD1-CD1 4.04Å; I2329-F2421 HydrophobicContact CD1-CG 4.31Å; Y2330-F2421 HydrophobicContact CE2-CD1 4.38Å; Q2417-F2421 WeakPolarHBondContact O-CB 3.43Å; Q2417-F2421 PolarHBondContact O-N 2.81Å; H2419-F2421 VanDerWaalsContact C-N 3.33Å; H2419-F2421 PolarHBondContact O-N 3.18Å; F2421-N2423 VanDerWaalsContact C-N 3.35Å; F2421-N2423 PolarHBondContact O-N 2.74Å; F2421-S2424 CarbonylContact O-C 3.4Å; F2421-S2424 WeakPolarHBondContact O-CA 3.28Å; F2421-S2424 WeakPolarHBondContact O-CB 3.44Å; F2421-S2424 PolarHBondContact O-N 3.29Å; F2421-Q2425 HydrophobicContact CD1-CG 4.12Å; F2421-Q2425 HydrophobicContact CE1-CG 3.77Å; F2421-Q2425 HydrophobicContact CZ-CG 3.95Å; F2421-Q2425 WeakPolarHBondContact O-CG 3.49Å; F2421-Q2425 PolarHBondContact O-N 3.08Å; F2421-M2431 HydrophobicContact CD2-CE 4.23Å; F2421-M2431 HydrophobicContact CE2-CE 4.06Å; F2421-M2431 HydrophobicContact CE2-CG 4Å; F2421-M2431 HydrophobicContact CE2-SD 4.42Å; F2421-W2433 AromaticContact CD2-CD1 3.81Å; F2421-W2433 HydrophobicContact CE1-CB 3.91Å; F2421-W2433 AromaticContact CE1-CD1 3.97Å; F2421-W2433 HydrophobicContact CE1-CG 4.27Å; F2421-W2433 HydrophobicContact CE2-CB 3.94Å; F2421-W2433 AromaticContact CE2-CD1 3.78Å; F2421-W2433 HydrophobicContact CE2-CG 4.29Å; F2421-W2433 AromaticContact CG-CD1 3.94Å; F2421-W2433 HydrophobicContact CZ-CB 3.46Å; F2421-W2433 VanDerWaalsContact CZ-CB 3.46Å; F2421-W2433 AromaticContact CZ-CD1 3.89Å; F2421-W2433 HydrophobicContact CZ-CG 4.08Å |
| 2422 | Y | 90.5 | Very high | 88.5 | Confident | 24 Ų | 24 | 68.7 Ų | 68.7 | 9% | 0.094 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -55 | -49.2 | 174.7 | 175.3 | -97.8 | 0 | 0 | 0 | 111.6 | M2293 F2296 V2297 Y2330 T2418 S2424 Q2425 C2426 | M2293-Y2422 HydrophobicContact CB-CD2 4.43Å; M2293-Y2422 HydrophobicContact CB-CE2 4.13Å; M2293-Y2422 HydrophobicContact CE-CD2 4.19Å; M2293-Y2422 HydrophobicContact CE-CE2 3.63Å; M2293-Y2422 HydrophobicContact CG-CD2 4.33Å; M2293-Y2422 HydrophobicContact CG-CE2 4.37Å; F2296-Y2422 HydrophobicContact CB-CD2 3.76Å; F2296-Y2422 HydrophobicContact CB-CE2 4.19Å; F2296-Y2422 HydrophobicContact CB-CG 4.29Å; F2296-Y2422 AromaticContact CD1-CD1 3.45Å; F2296-Y2422 HydrophobicContact CD1-CD1 3.45Å; F2296-Y2422 VanDerWaalsContact CD1-CD1 3.45Å; F2296-Y2422 AromaticContact CD1-CD2 3.41Å; F2296-Y2422 HydrophobicContact CD1-CD2 3.41Å; F2296-Y2422 VanDerWaalsContact CD1-CD2 3.41Å; F2296-Y2422 AromaticContact CD1-CE1 3.67Å; F2296-Y2422 HydrophobicContact CD1-CE1 3.67Å; F2296-Y2422 AromaticContact CD1-CE2 3.61Å; F2296-Y2422 HydrophobicContact CD1-CE2 3.61Å; F2296-Y2422 AromaticContact CD1-CG 3.33Å; F2296-Y2422 HydrophobicContact CD1-CG 3.33Å; F2296-Y2422 AromaticContact CD1-CZ 3.75Å; F2296-Y2422 HydrophobicContact CD2-CG 4.41Å; F2296-Y2422 AromaticContact CE1-CD1 3.32Å; F2296-Y2422 HydrophobicContact CE1-CD1 3.32Å; F2296-Y2422 HydrophobicContact CE1-CD2 4.18Å; F2296-Y2422 AromaticContact CE1-CE1 3.63Å; F2296-Y2422 HydrophobicContact CE1-CE1 3.63Å; F2296-Y2422 HydrophobicContact CE1-CE2 4.42Å; F2296-Y2422 AromaticContact CE1-CG 3.64Å; F2296-Y2422 HydrophobicContact CE1-CG 3.64Å; F2296-Y2422 HydrophobicContact CG-CD1 4.31Å; F2296-Y2422 AromaticContact CG-CD2 3.72Å; F2296-Y2422 HydrophobicContact CG-CD2 3.72Å; F2296-Y2422 HydrophobicContact CG-CE2 4.24Å; F2296-Y2422 AromaticContact CG-CG 3.76Å; F2296-Y2422 HydrophobicContact CG-CG 3.76Å; F2296-Y2422 HydrophobicContact CZ-CD1 4.1Å; F2296-Y2422 HydrophobicContact CZ-CG 4.29Å; V2297-Y2422 HydrophobicContact CG2-CE2 3.41Å; V2297-Y2422 VanDerWaalsContact CG2-CE2 3.41Å; V2297-Y2422 VanDerWaalsContact CG2-CZ 3.43Å; V2297-Y2422 WeakPolarHBondContact CG2-OH 3.38Å; Y2330-Y2422 WeakPolarHBondContact OH-CA 3.44Å; Y2330-Y2422 WeakPolarHBondContact OH-CB 3.24Å; Y2330-Y2422 PolarHBondContact OH-N 2.92Å; T2418-Y2422 WeakPolarHBondContact O-CB 3.35Å; T2418-Y2422 PolarHBondContact O-N 2.62Å; Y2422-S2424 PolarHBondContact O-N 3.09Å; Y2422-Q2425 WeakPolarHBondContact O-CB 3.32Å; Y2422-Q2425 PolarHBondContact O-N 3.15Å; Y2422-C2426 WeakPolarHBondContact CE1-SG 3.31Å; Y2422-C2426 VanDerWaalsContact CZ-SG 3.52Å; Y2422-C2426 PolarHBondContact O-N 3.15Å; Y2422-C2426 PolarHBondContact O-SG 3.37Å; Y2422-C2426 VanDerWaalsContact O-SG 3.35Å |
| 2423 | N | 88.8 | Confident | 88.3 | Confident | 91 Ų | 91 | 62.5 Ų | 62.5 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.4 | -38.2 | 176.9 | -69.4 | -13.7 | 0 | 0 | 0 | 111.8 | H2419 F2421 C2426 D2427 | H2419-N2423 VanDerWaalsContact O-CG 3.24Å; H2419-N2423 PolarHBondContact O-N 3.23Å; H2419-N2423 VanDerWaalsContact O-N 3.07Å; H2419-N2423 PolarHBondContact O-ND2 3.28Å; F2421-N2423 VanDerWaalsContact C-N 3.35Å; F2421-N2423 PolarHBondContact O-N 2.74Å; N2423-C2426 PolarHBondContact O-N 3.28Å; N2423-D2427 PolarHBondContact O-N 2.9Å |
| 2424 | S | 88.6 | Confident | 87.9 | Confident | 37 Ų | 37 | 67.7 Ų | 67.7 | 26% | 0.259 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.9 | -30.2 | 177.5 | -49.2 | 0 | 0 | 0 | 0 | 112.7 | S2420 F2421 Y2422 N2428 M2431 | S2420-S2424 PolarHBondContact O-N 3.4Å; S2420-S2424 PolarHBondContact O-OG 3.42Å; F2421-S2424 CarbonylContact O-C 3.4Å; F2421-S2424 WeakPolarHBondContact O-CA 3.28Å; F2421-S2424 WeakPolarHBondContact O-CB 3.44Å; F2421-S2424 PolarHBondContact O-N 3.29Å; Y2422-S2424 PolarHBondContact O-N 3.09Å; S2424-N2428 PolarHBondContact O-N 2.74Å; S2424-M2431 WeakPolarHBondContact CB-SD 3.32Å |
| 2425 | Q | 89.6 | Confident | 87.3 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -72.9 | -36.9 | 174.6 | -70.2 | -179.2 | -58.9 | 0 | 0 | 112.3 | M2293 A2325 Y2330 F2421 Y2422 D2427 N2428 H2429 | M2293-Q2425 HydrophobicContact CE-CB 4.43Å; M2293-Q2425 HydrophobicContact CG-CB 4.25Å; M2293-Q2425 HydrophobicContact SD-CB 3.65Å; A2325-Q2425 PolarHBondContact O-NE2 2.74Å; Y2330-Q2425 PolarHBondContact OH-OE1 3.45Å; F2421-Q2425 HydrophobicContact CD1-CG 4.12Å; F2421-Q2425 HydrophobicContact CE1-CG 3.77Å; F2421-Q2425 HydrophobicContact CZ-CG 3.95Å; F2421-Q2425 WeakPolarHBondContact O-CG 3.49Å; F2421-Q2425 PolarHBondContact O-N 3.08Å; Y2422-Q2425 WeakPolarHBondContact O-CB 3.32Å; Y2422-Q2425 PolarHBondContact O-N 3.15Å; Q2425-D2427 PolarHBondContact O-N 3.24Å; Q2425-N2428 CarbonylContact O-C 3.53Å; Q2425-N2428 PolarHBondContact O-N 2.83Å; Q2425-N2428 VanDerWaalsContact O-N 3.13Å; Q2425-H2429 PolarHBondContact O-N 2.81Å; Q2425-H2429 VanDerWaalsContact O-N 3.13Å; Q2425-H2429 PolarHBondContact O-ND1 3.33Å; Q2425-H2429 VanDerWaalsContact O-ND1 3.09Å |
| 2426 | C | 84.8 | Confident | 86.8 | Confident | 49 Ų | 49 | 69.6 Ų | 69.6 | 33% | 0.331 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -55.7 | -42.3 | 172 | -65.4 | 0 | 0 | 0 | 0 | 111.4 | Y2422 N2423 | Y2422-C2426 WeakPolarHBondContact CE1-SG 3.31Å; Y2422-C2426 VanDerWaalsContact CZ-SG 3.52Å; Y2422-C2426 PolarHBondContact O-N 3.15Å; Y2422-C2426 PolarHBondContact O-SG 3.37Å; Y2422-C2426 VanDerWaalsContact O-SG 3.35Å; N2423-C2426 PolarHBondContact O-N 3.28Å |
| 2427 | D | 83.8 | Confident | 86 | Confident | 148 Ų | 148 | 69.6 Ų | 69.6 | 79% | 0.791 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -72.6 | -35.3 | 176.2 | -66.8 | -25.2 | 0 | 0 | 0 | 112.5 | N2423 Q2425 | N2423-D2427 PolarHBondContact O-N 2.9Å; Q2425-D2427 PolarHBondContact O-N 3.24Å |
| 2428 | N | 84 | Confident | 85.3 | Confident | 83 Ų | 83 | 72.3 Ų | 72.3 | 44% | 0.444 | 40% | 0.395 | S | S | . | . | trans | -147.2 | 99.5 | -178.7 | -177.7 | 6.9 | 0 | 0 | 0 | 112.5 | S2424 Q2425 N2430 M2431 | S2424-N2428 PolarHBondContact O-N 2.74Å; Q2425-N2428 CarbonylContact O-C 3.53Å; Q2425-N2428 PolarHBondContact O-N 2.83Å; Q2425-N2428 VanDerWaalsContact O-N 3.13Å; N2428-N2430 PolarHBondContact O-N 2.99Å; N2428-N2430 VanDerWaalsContact O-N 3.08Å; N2428-N2430 WeakPolarHBondContact OD1-CB 3.45Å; N2428-N2430 PolarHBondContact OD1-N 3.02Å; N2428-N2430 VanDerWaalsContact OD1-N 3.09Å; N2428-M2431 HydrophobicContact CB-CB 4.49Å; N2428-M2431 WeakPolarHBondContact O-CB 3.46Å; N2428-M2431 PolarHBondContact O-N 3Å | ||
| 2429 | H | 81.6 | Confident | 84.9 | Confident | 51 Ų | 51 | 74.3 Ų | 74.3 | 24% | 0.236 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -17.9 | -180 | -75.2 | 53.7 | 0 | 0 | 0 | 113.8 | D2254 T2289 Q2425 M2431 | D2254-H2429 IonicContact OD1-CD2 2.68Å; D2254-H2429 IonicContact OD1-NE2 3.54Å; T2289-H2429 WeakPolarHBondContact CG2-O 3.4Å; T2289-H2429 PolarHBondContact OG1-O 3.09Å; Q2425-H2429 PolarHBondContact O-N 2.81Å; Q2425-H2429 VanDerWaalsContact O-N 3.13Å; Q2425-H2429 PolarHBondContact O-ND1 3.33Å; Q2425-H2429 VanDerWaalsContact O-ND1 3.09Å; H2429-M2431 VanDerWaalsContact C-N 3.29Å |
| 2430 | N | 82.6 | Confident | 84.5 | Confident | 130 Ų | 130 | 77.1 Ų | 77.1 | 70% | 0.695 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 4.8 | 177.3 | -68.9 | -41.4 | 0 | 0 | 0 | 113.3 | N2428 K2432 | N2428-N2430 PolarHBondContact O-N 2.99Å; N2428-N2430 VanDerWaalsContact O-N 3.08Å; N2428-N2430 WeakPolarHBondContact OD1-CB 3.45Å; N2428-N2430 PolarHBondContact OD1-N 3.02Å; N2428-N2430 VanDerWaalsContact OD1-N 3.09Å; N2430-K2432 PolarHBondContact O-N 3.33Å |
| 2431 | M | 85.4 | Confident | 84.3 | Confident | 69 Ų | 69 | 74 Ų | 74 | 34% | 0.34 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 119 | -179.5 | -174.6 | 159.6 | 171.5 | 0 | 0 | 111.2 | F2421 S2424 N2428 H2429 | F2421-M2431 HydrophobicContact CD2-CE 4.23Å; F2421-M2431 HydrophobicContact CE2-CE 4.06Å; F2421-M2431 HydrophobicContact CE2-CG 4Å; F2421-M2431 HydrophobicContact CE2-SD 4.42Å; S2424-M2431 WeakPolarHBondContact CB-SD 3.32Å; N2428-M2431 HydrophobicContact CB-CB 4.49Å; N2428-M2431 WeakPolarHBondContact O-CB 3.46Å; N2428-M2431 PolarHBondContact O-N 3Å; H2429-M2431 VanDerWaalsContact C-N 3.29Å |
| 2432 | K | 86.7 | Confident | 83.8 | Confident | 150 Ų | 150 | 75.4 Ų | 75.4 | 65% | 0.652 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -89.6 | 120.5 | 178.1 | -66.5 | -178.6 | 178.6 | 170.6 | 0 | 110.2 | Y2324 N2430 N2434 | Y2324-K2432 HydrophobicContact CD1-CB 4.11Å; Y2324-K2432 HydrophobicContact CD1-CD 4.28Å; Y2324-K2432 HydrophobicContact CD1-CG 4.41Å; Y2324-K2432 HydrophobicContact CG-CD 4.42Å; Y2324-K2432 HydrophobicContact CG-CG 4.49Å; Y2324-K2432 CarbonylContact O-C 3.41Å; Y2324-K2432 WeakPolarHBondContact O-CA 3.26Å; N2430-K2432 PolarHBondContact O-N 3.33Å; K2432-N2434 PolarHBondContact O-N 2.98Å |
| 2433 | W | 87.7 | Confident | 83.4 | Confident | 19 Ų | 19 | 75.3 Ų | 75.3 | 7% | 0.072 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 128.3 | 170.7 | -169.4 | 72.8 | 0 | 0 | 0 | 110.4 | Y2324 I2329 I2367 Y2371 F2421 L2435 | Y2324-W2433 WeakPolarHBondContact O-CB 3.34Å; Y2324-W2433 PolarHBondContact O-N 3.26Å; I2329-W2433 HydrophobicContact CG2-CH2 3.92Å; I2329-W2433 HydrophobicContact CG2-CZ2 3.3Å; I2367-W2433 HydrophobicContact CD1-CZ3 4.22Å; I2367-W2433 HydrophobicContact CG2-CH2 3.63Å; I2367-W2433 HydrophobicContact CG2-CZ3 3.87Å; Y2371-W2433 HydrophobicContact CE2-CH2 4.41Å; F2421-W2433 AromaticContact CD2-CD1 3.81Å; F2421-W2433 HydrophobicContact CE1-CB 3.91Å; F2421-W2433 AromaticContact CE1-CD1 3.97Å; F2421-W2433 HydrophobicContact CE1-CG 4.27Å; F2421-W2433 HydrophobicContact CE2-CB 3.94Å; F2421-W2433 AromaticContact CE2-CD1 3.78Å; F2421-W2433 HydrophobicContact CE2-CG 4.29Å; F2421-W2433 AromaticContact CG-CD1 3.94Å; F2421-W2433 HydrophobicContact CZ-CB 3.46Å; F2421-W2433 VanDerWaalsContact CZ-CB 3.46Å; F2421-W2433 AromaticContact CZ-CD1 3.89Å; F2421-W2433 HydrophobicContact CZ-CG 4.08Å; W2433-L2435 HydrophobicContact CH2-CB 3.78Å; W2433-L2435 HydrophobicContact CH2-CD2 3.72Å; W2433-L2435 HydrophobicContact CH2-CG 4.35Å; W2433-L2435 HydrophobicContact CZ2-CB 3.83Å; W2433-L2435 HydrophobicContact CZ2-CD1 4.32Å; W2433-L2435 HydrophobicContact CZ2-CD2 3.87Å; W2433-L2435 HydrophobicContact CZ2-CG 4.26Å; W2433-L2435 HydrophobicContact CZ3-CB 4.39Å |
| 2434 | N | 81.8 | Confident | 82.7 | Confident | 137 Ų | 137 | 74.3 Ų | 74.3 | 73% | 0.733 | 40% | 0.4 | S | S | * | . | trans | -142.4 | 135.6 | 174.2 | -165.4 | 17.7 | 0 | 0 | 0 | 108.9 | K2432 | K2432-N2434 PolarHBondContact O-N 2.98Š| ||
| 2435 | L | 82.1 | Confident | 82 | Confident | 23 Ų | 23 | 78.3 Ų | 78.3 | 12% | 0.12 | 41% | 0.414 | C | S | . | . | trans | -116.8 | 133.2 | -179.3 | -169.7 | 61.4 | 0 | 0 | 0 | 108.3 | Q2370 Y2371 W2433 D2437 F2439 | Q2370-L2435 VanDerWaalsContact OE1-CG 3.28Å; Y2371-L2435 HydrophobicContact CD2-CD2 4.45Å; Y2371-L2435 HydrophobicContact CE2-CD2 3.41Å; Y2371-L2435 VanDerWaalsContact CE2-CD2 3.41Å; Y2371-L2435 WeakPolarHBondContact OH-CD2 3.25Å; W2433-L2435 HydrophobicContact CH2-CB 3.78Å; W2433-L2435 HydrophobicContact CH2-CD2 3.72Å; W2433-L2435 HydrophobicContact CH2-CG 4.35Å; W2433-L2435 HydrophobicContact CZ2-CB 3.83Å; W2433-L2435 HydrophobicContact CZ2-CD1 4.32Å; W2433-L2435 HydrophobicContact CZ2-CD2 3.87Å; W2433-L2435 HydrophobicContact CZ2-CG 4.26Å; W2433-L2435 HydrophobicContact CZ3-CB 4.39Å; L2435-D2437 PolarHBondContact O-N 2.69Å; L2435-F2439 HydrophobicContact CD1-CB 3.95Å; L2435-F2439 HydrophobicContact CD1-CD1 3.68Å; L2435-F2439 HydrophobicContact CD1-CD2 4.37Å; L2435-F2439 HydrophobicContact CD1-CE1 4.25Å; L2435-F2439 HydrophobicContact CD1-CG 3.73Å; L2435-F2439 HydrophobicContact CD2-CD1 3.78Å; L2435-F2439 HydrophobicContact CD2-CE1 4.32Å; L2435-F2439 HydrophobicContact CG-CB 4.1Å; L2435-F2439 HydrophobicContact CG-CD1 3.95Å; L2435-F2439 HydrophobicContact CG-CG 4.22Å | ||
| 2436 | S | 79.4 | Confident | 81.3 | Confident | 70 Ų | 70 | 79.9 Ų | 79.9 | 49% | 0.49 | 42% | 0.422 | S | S | . | . | trans | -62.9 | 134.9 | 176.4 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | S2438 F2439 | S2436-S2438 PolarHBondContact O-N 2.83Å; S2436-S2438 PolarHBondContact OG-N 2.79Å; S2436-S2438 PolarHBondContact OG-OG 3.36Å; S2436-F2439 VanDerWaalsContact O-CB 3.26Å; S2436-F2439 WeakPolarHBondContact O-CB 3.34Å; S2436-F2439 PolarHBondContact O-N 2.85Å | ||
| 2437 | D | 73.2 | Confident | 80.7 | Confident | 149 Ų | 149 | 78.3 Ų | 78.3 | 80% | 0.797 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -18.7 | 173.7 | -68.2 | -31 | 0 | 0 | 0 | 112.9 | L2435 | L2435-D2437 PolarHBondContact O-N 2.69Š|
| 2438 | S | 76.1 | Confident | 79.9 | Confident | 103 Ų | 103 | 72.5 Ų | 72.5 | 72% | 0.72 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -11.8 | 175.1 | 70.5 | 0 | 0 | 0 | 0 | 114 | S2436 K2440 | S2436-S2438 PolarHBondContact O-N 2.83Å; S2436-S2438 PolarHBondContact OG-N 2.79Å; S2436-S2438 PolarHBondContact OG-OG 3.36Å; S2438-K2440 PolarHBondContact O-N 3.08Å |
| 2439 | F | 85.5 | Confident | 79.3 | Confident | 44 Ų | 44 | 74.7 Ų | 74.7 | 19% | 0.193 | 39% | 0.389 | C | S | . | . | trans | -72 | 129.3 | -179.6 | 175.6 | -95.5 | 0 | 0 | 0 | 109.9 | Q2370 Y2371 V2413 Q2417 L2435 S2436 V2441 | Q2370-F2439 HydrophobicContact CB-CD1 4.15Å; Q2370-F2439 WeakPolarHBondContact CB-O 3.32Å; Q2370-F2439 VanDerWaalsContact CG-O 3.27Å; Q2370-F2439 WeakPolarHBondContact CG-O 3.35Å; Y2371-F2439 HydrophobicContact CD1-CE1 4.01Å; Y2371-F2439 AromaticContact CE1-CE1 3.54Å; Y2371-F2439 HydrophobicContact CE1-CE1 3.54Å; Y2371-F2439 AromaticContact CE1-CZ 3.93Å; Y2371-F2439 HydrophobicContact CE1-CZ 3.93Å; Y2371-F2439 HydrophobicContact CE2-CE1 4.24Å; Y2371-F2439 AromaticContact CZ-CE1 3.67Å; V2413-F2439 HydrophobicContact CG1-CE2 4.47Å; V2413-F2439 HydrophobicContact CG1-CZ 3.84Å; Q2417-F2439 VanDerWaalsContact NE2-CE2 3.28Å; Q2417-F2439 VanDerWaalsContact NE2-CZ 3.26Å; L2435-F2439 HydrophobicContact CD1-CB 3.95Å; L2435-F2439 HydrophobicContact CD1-CD1 3.68Å; L2435-F2439 HydrophobicContact CD1-CD2 4.37Å; L2435-F2439 HydrophobicContact CD1-CE1 4.25Å; L2435-F2439 HydrophobicContact CD1-CG 3.73Å; L2435-F2439 HydrophobicContact CD2-CD1 3.78Å; L2435-F2439 HydrophobicContact CD2-CE1 4.32Å; L2435-F2439 HydrophobicContact CG-CB 4.1Å; L2435-F2439 HydrophobicContact CG-CD1 3.95Å; L2435-F2439 HydrophobicContact CG-CG 4.22Å; S2436-F2439 VanDerWaalsContact O-CB 3.26Å; S2436-F2439 WeakPolarHBondContact O-CB 3.34Å; S2436-F2439 PolarHBondContact O-N 2.85Å; F2439-V2441 HydrophobicContact CE1-CG2 4.4Å; F2439-V2441 HydrophobicContact CZ-CG2 4.34Å | ||
| 2440 | K | 81.7 | Confident | 78.8 | Confident | 154 Ų | 154 | 76.3 Ų | 76.3 | 67% | 0.67 | 40% | 0.395 | S | S | * | . | trans | -143.4 | 142.4 | 166 | -68.4 | -169.8 | 177.3 | -174.4 | 0 | 108 | S2438 | S2438-K2440 PolarHBondContact O-N 3.08Š| ||
| 2441 | V | 84.5 | Confident | 77.9 | Confident | 6 Ų | 6 | 70.7 Ų | 70.7 | 4% | 0.036 | 37% | 0.367 | C | S | . | . | trans | -59.8 | 130.3 | 169.1 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | Q2370 Y2371 I2409 L2410 V2413 F2439 Y2443 | Q2370-V2441 PolarHBondContact O-N 3.02Å; Q2370-V2441 VanDerWaalsContact O-N 3.07Å; Y2371-V2441 HydrophobicContact CD1-CG2 4.06Å; I2409-V2441 HydrophobicContact CG2-CG1 4.11Å; L2410-V2441 HydrophobicContact CD1-CG2 4.22Å; V2413-V2441 HydrophobicContact CG1-CG2 4.38Å; F2439-V2441 HydrophobicContact CE1-CG2 4.4Å; F2439-V2441 HydrophobicContact CZ-CG2 4.34Å; V2441-Y2443 HydrophobicContact CB-CD1 4.47Å; V2441-Y2443 HydrophobicContact CB-CD2 4.16Å; V2441-Y2443 HydrophobicContact CB-CE1 4.15Å; V2441-Y2443 HydrophobicContact CB-CE2 3.78Å; V2441-Y2443 HydrophobicContact CB-CG 4.5Å; V2441-Y2443 HydrophobicContact CG1-CD1 3.73Å; V2441-Y2443 HydrophobicContact CG1-CD2 4.3Å; V2441-Y2443 HydrophobicContact CG1-CE1 3.34Å; V2441-Y2443 HydrophobicContact CG1-CE2 3.94Å; V2441-Y2443 HydrophobicContact CG1-CG 4.21Å; V2441-Y2443 VanDerWaalsContact CG1-CZ 3.46Å; V2441-Y2443 PolarHBondContact O-N 2.88Å | ||
| 2442 | P | 82 | Confident | 77 | Confident | 46 Ų | 46 | 70.9 Ų | 70.9 | 30% | 0.299 | 37% | 0.369 | S | S | . | . | trans | -76.1 | 50.9 | -169.6 | 31.2 | -37 | 0 | 0 | 0 | 113 | T2444 E2445 I2446 | P2442-T2444 VanDerWaalsContact C-N 3.31Å; P2442-T2444 PolarHBondContact O-N 3.43Å; P2442-E2445 HydrophobicContact CB-CB 4.43Å; P2442-E2445 HydrophobicContact CB-CG 4.37Å; P2442-E2445 PolarHBondContact O-N 3.41Å; P2442-I2446 WeakPolarHBondContact O-CD1 3.44Å; P2442-I2446 VanDerWaalsContact O-CG1 3.32Å; P2442-I2446 WeakPolarHBondContact O-CG1 3.42Å; P2442-I2446 PolarHBondContact O-N 2.95Å | ||
| 2443 | Y | 82.6 | Confident | 76 | Confident | 22 Ų | 22 | 69.7 Ų | 69.7 | 9% | 0.086 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 177.4 | -62.3 | -45.3 | 0 | 0 | 0 | 111.8 | Y2371 W2402 L2406 L2410 V2441 E2445 I2446 I2447 | Y2371-Y2443 VanDerWaalsContact O-CE2 3.28Å; Y2371-Y2443 WeakPolarHBondContact O-CE2 3.49Å; Y2371-Y2443 PolarHBondContact O-OH 3.42Å; W2402-Y2443 WeakPolarHBondContact CH2-OH 3.22Å; W2402-Y2443 AromaticContact CZ3-CE1 3.94Å; W2402-Y2443 HydrophobicContact CZ3-CE1 3.94Å; W2402-Y2443 HydrophobicContact CZ3-CE2 4.28Å; W2402-Y2443 AromaticContact CZ3-CZ 3.64Å; W2402-Y2443 WeakPolarHBondContact CZ3-OH 3.47Å; L2406-Y2443 HydrophobicContact CB-CD1 4.16Å; L2406-Y2443 HydrophobicContact CB-CE1 4.09Å; L2406-Y2443 HydrophobicContact CD2-CD1 3.76Å; L2406-Y2443 HydrophobicContact CG-CD1 4.35Å; L2410-Y2443 WeakPolarHBondContact CB-OH 3.44Å; V2441-Y2443 HydrophobicContact CB-CD1 4.47Å; V2441-Y2443 HydrophobicContact CB-CD2 4.16Å; V2441-Y2443 HydrophobicContact CB-CE1 4.15Å; V2441-Y2443 HydrophobicContact CB-CE2 3.78Å; V2441-Y2443 HydrophobicContact CB-CG 4.5Å; V2441-Y2443 HydrophobicContact CG1-CD1 3.73Å; V2441-Y2443 HydrophobicContact CG1-CD2 4.3Å; V2441-Y2443 HydrophobicContact CG1-CE1 3.34Å; V2441-Y2443 HydrophobicContact CG1-CE2 3.94Å; V2441-Y2443 HydrophobicContact CG1-CG 4.21Å; V2441-Y2443 VanDerWaalsContact CG1-CZ 3.46Å; V2441-Y2443 PolarHBondContact O-N 2.88Å; Y2443-E2445 PolarHBondContact O-N 3.27Å; Y2443-I2446 PolarHBondContact O-N 2.88Å; Y2443-I2446 VanDerWaalsContact O-N 3.14Å; Y2443-I2447 WeakPolarHBondContact O-CB 3.2Å; Y2443-I2447 WeakPolarHBondContact O-CD1 3.28Å; Y2443-I2447 WeakPolarHBondContact O-CG1 3.46Å; Y2443-I2447 PolarHBondContact O-N 3.39Å |
| 2444 | T | 73.8 | Confident | 74.7 | Confident | 71 Ų | 71 | 73.5 Ų | 73.5 | 44% | 0.436 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | -178 | 51.2 | 0 | 0 | 0 | 0 | 112.5 | P2442 I2446 A2448 P2471 | P2442-T2444 VanDerWaalsContact C-N 3.31Å; P2442-T2444 PolarHBondContact O-N 3.43Å; T2444-I2446 VanDerWaalsContact C-N 3.26Å; T2444-I2446 PolarHBondContact O-N 2.88Å; T2444-A2448 WeakPolarHBondContact O-CB 3.29Å; T2444-A2448 PolarHBondContact O-N 3.14Å; T2444-P2471 WeakPolarHBondContact O-CG 3.38Å |
| 2445 | E | 73.3 | Confident | 73.6 | Confident | 120 Ų | 120 | 68.6 Ų | 68.6 | 56% | 0.561 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.7 | -32.9 | 177.6 | -63.4 | -176.2 | -175.8 | 0 | 0 | 112.1 | P2442 Y2443 K2449 | P2442-E2445 HydrophobicContact CB-CB 4.43Å; P2442-E2445 HydrophobicContact CB-CG 4.37Å; P2442-E2445 PolarHBondContact O-N 3.41Å; Y2443-E2445 PolarHBondContact O-N 3.27Å; E2445-K2449 VanDerWaalsContact O-CG 3.28Å; E2445-K2449 WeakPolarHBondContact O-CG 3.28Å; E2445-K2449 PolarHBondContact O-N 2.75Å |
| 2446 | I | 74.3 | Confident | 72.6 | Confident | 33 Ų | 33 | 75.5 Ų | 75.5 | 17% | 0.169 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -82.5 | -42.9 | -175.8 | -63.6 | 167.1 | 0 | 0 | 0 | 110.3 | L2406 I2409 P2442 Y2443 T2444 A2448 K2449 K2450 | L2406-I2446 HydrophobicContact CD2-CB 4.39Å; L2406-I2446 HydrophobicContact CD2-CG2 4.09Å; I2409-I2446 HydrophobicContact CD1-CD1 3.32Å; I2409-I2446 HydrophobicContact CD1-CG1 4.37Å; I2409-I2446 HydrophobicContact CD1-CG2 3.96Å; I2409-I2446 HydrophobicContact CG1-CD1 4.06Å; I2409-I2446 HydrophobicContact CG2-CD1 4.02Å; P2442-I2446 WeakPolarHBondContact O-CD1 3.44Å; P2442-I2446 VanDerWaalsContact O-CG1 3.32Å; P2442-I2446 WeakPolarHBondContact O-CG1 3.42Å; P2442-I2446 PolarHBondContact O-N 2.95Å; Y2443-I2446 PolarHBondContact O-N 2.88Å; Y2443-I2446 VanDerWaalsContact O-N 3.14Å; T2444-I2446 VanDerWaalsContact C-N 3.26Å; T2444-I2446 PolarHBondContact O-N 2.88Å; I2446-A2448 PolarHBondContact O-N 3.44Å; I2446-K2449 PolarHBondContact O-N 2.85Å; I2446-K2449 VanDerWaalsContact O-N 3.17Å; I2446-K2450 PolarHBondContact O-N 3.05Å |
| 2447 | I | 71.9 | Confident | 71.6 | Confident | 16 Ų | 16 | 78.6 Ų | 78.6 | 8% | 0.082 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -58.3 | -42.6 | 169.7 | -64.7 | 162.9 | 0 | 0 | 0 | 109.4 | I2401 L2406 Y2443 K2450 A2451 P2471 Y2478 | I2401-I2447 HydrophobicContact CB-CD1 4.1Å; I2401-I2447 HydrophobicContact CD1-CD1 4.07Å; I2401-I2447 HydrophobicContact CD1-CG2 4.06Å; I2401-I2447 HydrophobicContact CG2-CD1 3.99Å; I2401-I2447 HydrophobicContact CG2-CG1 4.12Å; L2406-I2447 HydrophobicContact CD1-CD1 4.39Å; L2406-I2447 HydrophobicContact CD1-CG1 4.43Å; L2406-I2447 HydrophobicContact CD2-CG1 4.48Å; Y2443-I2447 WeakPolarHBondContact O-CB 3.2Å; Y2443-I2447 WeakPolarHBondContact O-CD1 3.28Å; Y2443-I2447 WeakPolarHBondContact O-CG1 3.46Å; Y2443-I2447 PolarHBondContact O-N 3.39Å; I2447-K2450 PolarHBondContact O-N 3.18Å; I2447-A2451 VanDerWaalsContact O-CB 3.31Å; I2447-A2451 WeakPolarHBondContact O-CB 3.36Å; I2447-A2451 PolarHBondContact O-N 2.69Å; I2447-P2471 HydrophobicContact CB-CB 4.49Å; I2447-P2471 HydrophobicContact CB-CG 4.08Å; I2447-P2471 HydrophobicContact CG2-CB 3.76Å; I2447-P2471 HydrophobicContact CG2-CG 3.85Å; I2447-Y2478 HydrophobicContact CD1-CE1 4.33Å |
| 2448 | A | 68.7 | Low | 70.7 | Confident | 27 Ų | 27 | 79.7 Ų | 79.7 | 22% | 0.223 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T2444 I2446 A2451 N2452 | T2444-A2448 WeakPolarHBondContact O-CB 3.29Å; T2444-A2448 PolarHBondContact O-N 3.14Å; I2446-A2448 PolarHBondContact O-N 3.44Å; A2448-A2451 PolarHBondContact O-N 2.96Å; A2448-N2452 VanDerWaalsContact O-CB 3.26Å; A2448-N2452 WeakPolarHBondContact O-CB 3.35Å; A2448-N2452 PolarHBondContact O-N 3.45Å |
| 2449 | K | 71.2 | Confident | 69.8 | Low | 129 Ų | 129 | 80.1 Ų | 80.1 | 56% | 0.561 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.6 | -47.7 | 176.1 | -77.7 | 171.1 | -175.4 | 172.9 | 0 | 112.2 | E2445 I2446 A2451 N2452 E2453 | E2445-K2449 VanDerWaalsContact O-CG 3.28Å; E2445-K2449 WeakPolarHBondContact O-CG 3.28Å; E2445-K2449 PolarHBondContact O-N 2.75Å; I2446-K2449 PolarHBondContact O-N 2.85Å; I2446-K2449 VanDerWaalsContact O-N 3.17Å; K2449-A2451 PolarHBondContact O-N 3.22Å; K2449-N2452 PolarHBondContact O-N 3.34Å; K2449-E2453 WeakPolarHBondContact O-CG 3.32Å; K2449-E2453 PolarHBondContact O-N 3.23Å |
| 2450 | K | 70.1 | Confident | 68.8 | Low | 85 Ų | 85 | 82.8 Ų | 82.8 | 37% | 0.37 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 177.7 | -170.2 | -178.7 | -179 | -175.5 | 0 | 111 | D2403 I2446 I2447 N2452 E2453 E2454 | D2403-K2450 IonicContact OD2-NZ 3.33Å; D2403-K2450 PolarHBondContact OD2-NZ 3.41Å; I2446-K2450 PolarHBondContact O-N 3.05Å; I2447-K2450 PolarHBondContact O-N 3.18Å; K2450-N2452 VanDerWaalsContact C-N 3.34Å; K2450-N2452 PolarHBondContact O-N 3.22Å; K2450-E2453 PolarHBondContact O-N 3.42Å; K2450-E2454 WeakPolarHBondContact O-CG 3.3Å; K2450-E2454 PolarHBondContact O-N 3.22Å |
| 2451 | A | 64.6 | Low | 68 | Low | 12 Ų | 12 | 79 Ų | 79 | 10% | 0.099 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.8 | -35.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | I2447 A2448 K2449 E2453 E2454 N2455 V2466 | I2447-A2451 VanDerWaalsContact O-CB 3.31Å; I2447-A2451 WeakPolarHBondContact O-CB 3.36Å; I2447-A2451 PolarHBondContact O-N 2.69Å; A2448-A2451 PolarHBondContact O-N 2.96Å; K2449-A2451 PolarHBondContact O-N 3.22Å; A2451-E2453 VanDerWaalsContact C-N 3.35Å; A2451-E2454 PolarHBondContact O-N 2.78Å; A2451-N2455 WeakPolarHBondContact O-CB 3.45Å; A2451-N2455 PolarHBondContact O-N 3.43Å; A2451-V2466 HydrophobicContact CB-CB 3.88Å; A2451-V2466 HydrophobicContact CB-CG1 3.31Å |
| 2452 | N | 65.4 | Low | 67 | Low | 73 Ų | 73 | 80.7 Ų | 80.7 | 39% | 0.39 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -70.7 | -32.6 | 177.6 | -147.6 | 6.9 | 0 | 0 | 0 | 111.7 | A2448 K2449 K2450 K2456 | A2448-N2452 VanDerWaalsContact O-CB 3.26Å; A2448-N2452 WeakPolarHBondContact O-CB 3.35Å; A2448-N2452 PolarHBondContact O-N 3.45Å; K2449-N2452 PolarHBondContact O-N 3.34Å; K2450-N2452 VanDerWaalsContact C-N 3.34Å; K2450-N2452 PolarHBondContact O-N 3.22Å; N2452-K2456 WeakPolarHBondContact O-CG 3.44Å; N2452-K2456 PolarHBondContact O-N 3.01Å |
| 2453 | E | 66.2 | Low | 66 | Low | 124 Ų | 124 | 79.2 Ų | 79.2 | 58% | 0.579 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -70.7 | -42.1 | 170.8 | -72.5 | 177.4 | 176.2 | 0 | 0 | 112.2 | K2449 K2450 A2451 N2455 K2456 N2457 | K2449-E2453 WeakPolarHBondContact O-CG 3.32Å; K2449-E2453 PolarHBondContact O-N 3.23Å; K2450-E2453 PolarHBondContact O-N 3.42Å; A2451-E2453 VanDerWaalsContact C-N 3.35Å; E2453-N2455 VanDerWaalsContact C-N 3.35Å; E2453-N2455 PolarHBondContact O-N 3.18Å; E2453-K2456 WeakPolarHBondContact O-CB 3.18Å; E2453-K2456 PolarHBondContact O-N 3.5Å; E2453-N2457 PolarHBondContact O-N 3.38Å; E2453-N2457 PolarHBondContact O-ND2 3.39Å |
| 2454 | E | 61 | Low | 65.2 | Low | 99 Ų | 99 | 83.2 Ų | 83.2 | 46% | 0.463 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 174 | -76.2 | 178.7 | -174.9 | 0 | 0 | 112 | K2450 A2451 K2456 N2457 K2458 | K2450-E2454 WeakPolarHBondContact O-CG 3.3Å; K2450-E2454 PolarHBondContact O-N 3.22Å; A2451-E2454 PolarHBondContact O-N 2.78Å; E2454-K2456 VanDerWaalsContact C-N 3.31Å; E2454-K2456 PolarHBondContact O-N 2.9Å; E2454-N2457 PolarHBondContact O-N 2.93Å; E2454-K2458 PolarHBondContact O-N 3.01Å |
| 2455 | N | 59.3 | Low | 64.9 | Low | 34 Ų | 34 | 80.3 Ų | 80.3 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.8 | -36.1 | 175.8 | -168.4 | 28 | 0 | 0 | 0 | 112.3 | A2451 E2453 N2457 A2463 A2467 | A2451-N2455 WeakPolarHBondContact O-CB 3.45Å; A2451-N2455 PolarHBondContact O-N 3.43Å; E2453-N2455 VanDerWaalsContact C-N 3.35Å; E2453-N2455 PolarHBondContact O-N 3.18Å; N2455-N2457 VanDerWaalsContact C-N 3.29Å; N2455-N2457 PolarHBondContact O-N 3.4Å; N2455-A2463 HydrophobicContact CB-CB 3.89Å; N2455-A2467 HydrophobicContact CB-CB 4.33Å; N2455-A2467 WeakPolarHBondContact ND2-CB 2.99Å |
| 2456 | K | 59.2 | Low | 64.6 | Low | 168 Ų | 168 | 74.9 Ų | 74.9 | 73% | 0.73 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.4 | -34.4 | 172.6 | -75.6 | 175.5 | -177.6 | 176.1 | 0 | 112.3 | N2452 E2453 E2454 | N2452-K2456 WeakPolarHBondContact O-CG 3.44Å; N2452-K2456 PolarHBondContact O-N 3.01Å; E2453-K2456 WeakPolarHBondContact O-CB 3.18Å; E2453-K2456 PolarHBondContact O-N 3.5Å; E2454-K2456 VanDerWaalsContact C-N 3.31Å; E2454-K2456 PolarHBondContact O-N 2.9Å |
| 2457 | N | 59.5 | Low | 64.1 | Low | 136 Ų | 136 | 74.7 Ų | 74.7 | 73% | 0.727 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -87.5 | -38.1 | -174.9 | -68.9 | -19.8 | 0 | 0 | 0 | 113 | E2453 E2454 N2455 | E2453-N2457 PolarHBondContact O-N 3.38Å; E2453-N2457 PolarHBondContact O-ND2 3.39Å; E2454-N2457 PolarHBondContact O-N 2.93Å; N2455-N2457 VanDerWaalsContact C-N 3.29Å; N2455-N2457 PolarHBondContact O-N 3.4Å |
| 2458 | K | 54.3 | Low | 63.9 | Low | 172 Ų | 172 | 77.9 Ų | 77.9 | 75% | 0.748 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -145.3 | 101 | 174.7 | -81.5 | -177.9 | 178.9 | 174 | 0 | 109.3 | E2454 N2460 | E2454-K2458 PolarHBondContact O-N 3.01Å; K2458-N2460 PolarHBondContact O-N 3.49Å |
| 2459 | P | 56.9 | Low | 64 | Low | 112 Ų | 112 | 79.8 Ų | 79.8 | 73% | 0.727 | 41% | 0.405 | S | S | * | . | trans | -66.8 | 111.9 | 175.4 | 26.3 | -31.5 | 0 | 0 | 0 | 109.1 | ||||
| 2460 | N | 64.1 | Low | 63.9 | Low | 100 Ų | 100 | 74.7 Ų | 74.7 | 54% | 0.535 | 39% | 0.389 | S | S | . | . | trans | -116.4 | 149.6 | 168.4 | -168.5 | 1 | 0 | 0 | 0 | 107.9 | K2458 I2462 A2463 Q2464 | K2458-N2460 PolarHBondContact O-N 3.49Å; N2460-I2462 PolarHBondContact O-N 3.33Å; N2460-I2462 VanDerWaalsContact O-N 3.15Å; N2460-A2463 HydrophobicContact CB-CB 4.28Å; N2460-A2463 WeakPolarHBondContact O-CA 3.34Å; N2460-A2463 WeakPolarHBondContact O-CB 3.4Å; N2460-A2463 PolarHBondContact O-N 2.97Å; N2460-Q2464 PolarHBondContact O-N 3.43Å | ||
| 2461 | E | 66.2 | Low | 64 | Low | 75 Ų | 75 | 71.3 Ų | 71.3 | 35% | 0.35 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -54.5 | -38.7 | -178.4 | -156.3 | -165.3 | 165.9 | 0 | 0 | 111 | Q2464 Y2465 R2523 | E2461-Q2464 WeakPolarHBondContact O-CB 3.23Å; E2461-Q2464 PolarHBondContact O-N 2.87Å; E2461-Y2465 HydrophobicContact CG-CE2 3.8Å; E2461-Y2465 WeakPolarHBondContact O-CD2 3.41Å; E2461-Y2465 WeakPolarHBondContact O-CE2 3.31Å; E2461-Y2465 PolarHBondContact O-N 2.88Å; E2461-Y2465 VanDerWaalsContact O-N 3.14Å; E2461-Y2465 PolarHBondContact OE1-OH 2.81Å; E2461-R2523 VanDerWaalsContact CD-NH1 3.27Å; E2461-R2523 IonicContact OE1-CZ 2.68Å; E2461-R2523 IonicContact OE1-NH1 3.16Å; E2461-R2523 PolarHBondContact OE1-NH1 3.34Å; E2461-R2523 IonicContact OE1-NH2 2.64Å; E2461-R2523 PolarHBondContact OE1-NH2 2.95Å; E2461-R2523 IonicContact OE2-CZ 2.76Å; E2461-R2523 IonicContact OE2-NH1 3.52Å; E2461-R2523 PolarHBondContact OE2-NH1 2.59Å; E2461-R2523 IonicContact OE2-NH2 3.27Å; E2461-R2523 PolarHBondContact OE2-NH2 3.46Å |
| 2462 | I | 63.2 | Low | 64.7 | Low | 41 Ų | 41 | 72.5 Ų | 72.5 | 21% | 0.21 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.6 | -44 | 176.5 | -53.6 | -174.9 | 0 | 0 | 0 | 112 | N2460 Q2464 Y2465 V2466 H2480 | N2460-I2462 PolarHBondContact O-N 3.33Å; N2460-I2462 VanDerWaalsContact O-N 3.15Å; I2462-Q2464 VanDerWaalsContact C-N 3.27Å; I2462-Q2464 PolarHBondContact O-N 3Å; I2462-Y2465 PolarHBondContact O-N 2.99Å; I2462-V2466 PolarHBondContact O-N 2.76Å; I2462-V2466 VanDerWaalsContact O-N 3.15Å; I2462-H2480 HydrophobicContact CG2-CB 3.83Å |
| 2463 | A | 60.1 | Low | 65.5 | Low | 15 Ų | 15 | 72.7 Ų | 72.7 | 12% | 0.124 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.3 | -34 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N2455 N2460 V2466 A2467 | N2455-A2463 HydrophobicContact CB-CB 3.89Å; N2460-A2463 HydrophobicContact CB-CB 4.28Å; N2460-A2463 WeakPolarHBondContact O-CA 3.34Å; N2460-A2463 WeakPolarHBondContact O-CB 3.4Å; N2460-A2463 PolarHBondContact O-N 2.97Å; A2463-V2466 PolarHBondContact O-N 3.29Å; A2463-A2467 WeakPolarHBondContact O-CB 3.49Å; A2463-A2467 PolarHBondContact O-N 3.42Å |
| 2464 | Q | 66.4 | Low | 66.2 | Low | 106 Ų | 106 | 67.4 Ų | 67.4 | 50% | 0.495 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 174.8 | -166.3 | 177 | 16.7 | 0 | 0 | 112.4 | N2460 E2461 I2462 A2467 C2468 | N2460-Q2464 PolarHBondContact O-N 3.43Å; E2461-Q2464 WeakPolarHBondContact O-CB 3.23Å; E2461-Q2464 PolarHBondContact O-N 2.87Å; I2462-Q2464 VanDerWaalsContact C-N 3.27Å; I2462-Q2464 PolarHBondContact O-N 3Å; Q2464-A2467 PolarHBondContact O-N 3.22Å; Q2464-C2468 WeakPolarHBondContact O-CB 3.34Å; Q2464-C2468 PolarHBondContact O-N 3.3Å |
| 2465 | Y | 68.1 | Low | 67 | Low | 10 Ų | 10 | 63.5 Ų | 63.5 | 4% | 0.039 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 174.1 | -69.3 | -62.5 | 0 | 0 | 0 | 111.5 | E2461 I2462 A2467 C2468 L2469 L2516 R2519 L2520 | E2461-Y2465 HydrophobicContact CG-CE2 3.8Å; E2461-Y2465 WeakPolarHBondContact O-CD2 3.41Å; E2461-Y2465 WeakPolarHBondContact O-CE2 3.31Å; E2461-Y2465 PolarHBondContact O-N 2.88Å; E2461-Y2465 VanDerWaalsContact O-N 3.14Å; E2461-Y2465 PolarHBondContact OE1-OH 2.81Å; I2462-Y2465 PolarHBondContact O-N 2.99Å; Y2465-A2467 VanDerWaalsContact C-N 3.35Å; Y2465-A2467 PolarHBondContact O-N 3.38Å; Y2465-C2468 PolarHBondContact O-N 3.46Å; Y2465-L2469 HydrophobicContact CD1-CD1 4.5Å; Y2465-L2469 WeakPolarHBondContact O-CB 3.46Å; Y2465-L2469 PolarHBondContact O-N 2.72Å; Y2465-L2516 HydrophobicContact CD1-CB 4.07Å; Y2465-L2516 HydrophobicContact CD1-CD2 4.22Å; Y2465-L2516 HydrophobicContact CE1-CB 4.12Å; Y2465-L2516 HydrophobicContact CE1-CD2 3.77Å; Y2465-R2519 WeakPolarHBondContact OH-CD 3.28Å; Y2465-L2520 HydrophobicContact CD1-CB 4.41Å; Y2465-L2520 HydrophobicContact CD1-CD1 3.99Å; Y2465-L2520 HydrophobicContact CD2-CD1 3.72Å; Y2465-L2520 HydrophobicContact CG-CD1 3.49Å; Y2465-L2520 VanDerWaalsContact CG-CD1 3.49Å |
| 2466 | V | 65.7 | Low | 68 | Low | 5 Ų | 5 | 64.4 Ų | 64.4 | 3% | 0.03 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67 | -36.8 | 179.5 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | A2451 I2462 A2463 G2470 P2471 H2480 | A2451-V2466 HydrophobicContact CB-CB 3.88Å; A2451-V2466 HydrophobicContact CB-CG1 3.31Å; I2462-V2466 PolarHBondContact O-N 2.76Å; I2462-V2466 VanDerWaalsContact O-N 3.15Å; A2463-V2466 PolarHBondContact O-N 3.29Å; V2466-G2470 CarbonylContact O-C 3.59Å; V2466-G2470 WeakPolarHBondContact O-CA 3.5Å; V2466-G2470 PolarHBondContact O-N 2.96Å; V2466-P2471 HydrophobicContact CG1-CB 4.34Å; V2466-H2480 HydrophobicContact CG2-CB 3.75Å; V2466-H2480 VanDerWaalsContact CG2-CD2 3.49Å; V2466-H2480 WeakPolarHBondContact CG2-CD2 3.31Å; V2466-H2480 VanDerWaalsContact CG2-CG 3.44Å |
| 2467 | A | 63.4 | Low | 69.1 | Low | 29 Ų | 29 | 56.6 Ų | 56.6 | 24% | 0.24 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.7 | -35.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N2455 A2463 Q2464 Y2465 | N2455-A2467 HydrophobicContact CB-CB 4.33Å; N2455-A2467 WeakPolarHBondContact ND2-CB 2.99Å; A2463-A2467 WeakPolarHBondContact O-CB 3.49Å; A2463-A2467 PolarHBondContact O-N 3.42Å; Q2464-A2467 PolarHBondContact O-N 3.22Å; Y2465-A2467 VanDerWaalsContact C-N 3.35Å; Y2465-A2467 PolarHBondContact O-N 3.38Å |
| 2468 | C | 68.9 | Low | 70.3 | Confident | 83 Ų | 83 | 50.6 Ų | 50.6 | 56% | 0.561 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -86.1 | -40.7 | -179.9 | -74.2 | 0 | 0 | 0 | 0 | 113.7 | Q2464 Y2465 L2516 | Q2464-C2468 WeakPolarHBondContact O-CB 3.34Å; Q2464-C2468 PolarHBondContact O-N 3.3Å; Y2465-C2468 PolarHBondContact O-N 3.46Å; C2468-L2516 HydrophobicContact CB-CD1 3.99Å |
| 2469 | L | 71.1 | Confident | 71.6 | Confident | 67 Ų | 67 | 42.4 Ų | 42.4 | 35% | 0.351 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -102.9 | -15.5 | -173.2 | -61.7 | 168.6 | 0 | 0 | 0 | 113.2 | Y2465 I2472 L2516 L2517 | Y2465-L2469 HydrophobicContact CD1-CD1 4.5Å; Y2465-L2469 WeakPolarHBondContact O-CB 3.46Å; Y2465-L2469 PolarHBondContact O-N 2.72Å; L2469-I2472 HydrophobicContact CB-CD1 3.74Å; L2469-I2472 HydrophobicContact CB-CG1 4.31Å; L2469-I2472 HydrophobicContact CD1-CD1 3.81Å; L2469-I2472 HydrophobicContact CG-CD1 4.35Å; L2469-L2516 HydrophobicContact CD1-CB 3.96Å; L2469-L2516 HydrophobicContact CG-CB 4.46Å; L2469-L2517 HydrophobicContact CD1-CB 4.12Å; L2469-L2517 HydrophobicContact CD2-CB 4.29Å |
| 2470 | G | 68.3 | Low | 72.6 | Confident | 22 Ų | 22 | 38.1 Ų | 38.1 | 23% | 0.227 | 21% | 0.213 | C | C | . | . | trans | 79.4 | 171 | -164.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V2466 I2472 | V2466-G2470 CarbonylContact O-C 3.59Å; V2466-G2470 WeakPolarHBondContact O-CA 3.5Å; V2466-G2470 PolarHBondContact O-N 2.96Å; G2470-I2472 PolarHBondContact O-N 3.23Å | ||
| 2471 | P | 71.9 | Confident | 73.4 | Confident | 15 Ų | 15 | 33.8 Ų | 33.8 | 10% | 0.097 | 19% | 0.19 | C | C | . | . | trans | -68.4 | 102.1 | 172.1 | 27.9 | -32.9 | 0 | 0 | 0 | 109.4 | T2444 I2447 V2466 Y2478 | T2444-P2471 WeakPolarHBondContact O-CG 3.38Å; I2447-P2471 HydrophobicContact CB-CB 4.49Å; I2447-P2471 HydrophobicContact CB-CG 4.08Å; I2447-P2471 HydrophobicContact CG2-CB 3.76Å; I2447-P2471 HydrophobicContact CG2-CG 3.85Å; V2466-P2471 HydrophobicContact CG1-CB 4.34Å; P2471-Y2478 HydrophobicContact CB-CD1 4.35Å; P2471-Y2478 HydrophobicContact CB-CE1 4.47Å | ||
| 2472 | I | 78.9 | Confident | 74.2 | Confident | 36 Ų | 36 | 30.4 Ų | 30.4 | 19% | 0.185 | 17% | 0.174 | C | C | . | . | trans | -82 | 122.7 | 177.2 | -59.2 | 155.1 | 0 | 0 | 0 | 109.2 | L2469 G2470 I2474 L2479 L2517 L2520 | L2469-I2472 HydrophobicContact CB-CD1 3.74Å; L2469-I2472 HydrophobicContact CB-CG1 4.31Å; L2469-I2472 HydrophobicContact CD1-CD1 3.81Å; L2469-I2472 HydrophobicContact CG-CD1 4.35Å; G2470-I2472 PolarHBondContact O-N 3.23Å; I2472-I2474 HydrophobicContact CG2-CG1 4.17Å; I2472-L2479 HydrophobicContact CB-CD1 3.96Å; I2472-L2479 HydrophobicContact CG2-CD1 3.47Å; I2472-L2479 VanDerWaalsContact CG2-CD1 3.47Å; I2472-L2479 HydrophobicContact CG2-CG 4.35Å; I2472-L2479 PolarHBondContact O-N 3.48Å; I2472-L2479 VanDerWaalsContact O-N 3.1Å; I2472-L2517 HydrophobicContact CD1-CD1 3.44Å; I2472-L2517 VanDerWaalsContact CD1-CD1 3.44Å; I2472-L2520 HydrophobicContact CD1-CD2 4.1Å | ||
| 2473 | Q | 82.3 | Confident | 75.1 | Confident | 78 Ų | 78 | 29.9 Ų | 29.9 | 36% | 0.364 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 128.6 | 174.8 | -165.6 | 180 | 24.9 | 0 | 0 | 109.3 | N2476 V2477 Y2478 | Q2473-N2476 VanDerWaalsContact CG-C 3.47Å; Q2473-N2476 VanDerWaalsContact NE2-C 3.32Å; Q2473-N2476 VanDerWaalsContact NE2-CA 3.32Å; Q2473-N2476 PolarHBondContact NE2-O 3.09Å; Q2473-V2477 VanDerWaalsContact CA-O 3.31Å; Q2473-V2477 WeakPolarHBondContact CA-O 3.21Å; Q2473-Y2478 HydrophobicContact CB-CD1 4.29Å; Q2473-Y2478 HydrophobicContact CB-CE1 4.31Å; Q2473-Y2478 HydrophobicContact CG-CD1 4.44Å; Q2473-Y2478 HydrophobicContact CG-CE1 4.41Å |
| 2474 | I | 81.6 | Confident | 75.9 | Confident | 12 Ų | 12 | 31.4 Ų | 31.4 | 6% | 0.062 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 132 | 175.2 | -65.4 | -172 | 0 | 0 | 0 | 107.5 | I2472 N2476 V2477 L2479 F2496 E2499 C2500 K2503 L2521 | I2472-I2474 HydrophobicContact CG2-CG1 4.17Å; I2474-N2476 PolarHBondContact O-N 3.09Å; I2474-N2476 VanDerWaalsContact O-N 3.08Å; I2474-V2477 PolarHBondContact N-O 3.03Å; I2474-V2477 WeakPolarHBondContact O-CA 3.31Å; I2474-V2477 WeakPolarHBondContact O-CB 3.36Å; I2474-V2477 PolarHBondContact O-N 2.77Å; I2474-L2479 HydrophobicContact CB-CD2 4.49Å; I2474-L2479 HydrophobicContact CD1-CD1 3.74Å; I2474-L2479 HydrophobicContact CD1-CD2 4.32Å; I2474-L2479 HydrophobicContact CD1-CG 4.39Å; I2474-L2479 HydrophobicContact CG1-CD1 4.05Å; I2474-L2479 HydrophobicContact CG1-CG 4.37Å; I2474-F2496 HydrophobicContact CB-CD2 4.26Å; I2474-F2496 HydrophobicContact CB-CE2 4.09Å; I2474-F2496 HydrophobicContact CG2-CD2 4.1Å; I2474-F2496 HydrophobicContact CG2-CE2 4.31Å; I2474-F2496 VanDerWaalsContact O-CD2 3.31Å; I2474-F2496 WeakPolarHBondContact O-CD2 3.22Å; I2474-E2499 HydrophobicContact CG2-CB 3.42Å; I2474-E2499 VanDerWaalsContact CG2-CB 3.42Å; I2474-C2500 HydrophobicContact CD1-CB 4.41Å; I2474-C2500 HydrophobicContact CG2-CB 4.17Å; I2474-K2503 HydrophobicContact CD1-CB 3.75Å; I2474-K2503 HydrophobicContact CD1-CG 4.01Å; I2474-L2521 HydrophobicContact CD1-CD2 3.43Å; I2474-L2521 VanDerWaalsContact CD1-CD2 3.43Å |
| 2475 | A | 77.5 | Confident | 76.5 | Confident | 18 Ų | 18 | 30.3 Ų | 30.3 | 15% | 0.149 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 35.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V2477 L2495 F2496 E2499 | A2475-V2477 PolarHBondContact O-N 2.7Å; A2475-L2495 HydrophobicContact CB-CD2 3.29Å; A2475-F2496 VanDerWaalsContact CB-CA 3.4Å; A2475-F2496 HydrophobicContact CB-CB 3.83Å; A2475-F2496 HydrophobicContact CB-CD2 4.06Å; A2475-F2496 HydrophobicContact CB-CG 4.47Å; A2475-E2499 WeakPolarHBondContact CA-OE2 3.38Å; A2475-E2499 PolarHBondContact N-OE2 2.77Å |
| 2476 | N | 80 | Confident | 76.7 | Confident | 53 Ų | 53 | 34.2 Ų | 34.2 | 28% | 0.283 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 9.2 | -173.3 | -49.1 | -36.6 | 0 | 0 | 0 | 116.3 | N2374 Q2473 I2474 | N2374-N2476 WeakPolarHBondContact CB-ND2 3.44Å; N2374-N2476 VanDerWaalsContact ND2-CG 3.26Å; N2374-N2476 PolarHBondContact ND2-ND2 3.39Å; N2374-N2476 VanDerWaalsContact ND2-ND2 3.18Å; N2374-N2476 PolarHBondContact ND2-OD1 2.95Å; Q2473-N2476 VanDerWaalsContact CG-C 3.47Å; Q2473-N2476 VanDerWaalsContact NE2-C 3.32Å; Q2473-N2476 VanDerWaalsContact NE2-CA 3.32Å; Q2473-N2476 PolarHBondContact NE2-O 3.09Å; I2474-N2476 PolarHBondContact O-N 3.09Å; I2474-N2476 VanDerWaalsContact O-N 3.08Å |
| 2477 | V | 83.4 | Confident | 77.3 | Confident | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 122.7 | 179.7 | -173.7 | 0 | 0 | 0 | 0 | 110.7 | P2398 Q2473 I2474 A2475 L2479 Y2482 L2490 F2496 | P2398-V2477 HydrophobicContact CB-CG1 3.97Å; P2398-V2477 CarbonylContact O-C 3.33Å; P2398-V2477 WeakPolarHBondContact O-CA 3.49Å; P2398-V2477 WeakPolarHBondContact O-CG1 3.33Å; Q2473-V2477 VanDerWaalsContact CA-O 3.31Å; Q2473-V2477 WeakPolarHBondContact CA-O 3.21Å; I2474-V2477 PolarHBondContact N-O 3.03Å; I2474-V2477 WeakPolarHBondContact O-CA 3.31Å; I2474-V2477 WeakPolarHBondContact O-CB 3.36Å; I2474-V2477 PolarHBondContact O-N 2.77Å; A2475-V2477 PolarHBondContact O-N 2.7Å; V2477-L2479 PolarHBondContact O-N 2.95Å; V2477-Y2482 HydrophobicContact CG1-CD2 4.48Å; V2477-Y2482 HydrophobicContact CG1-CG 4.27Å; V2477-L2490 HydrophobicContact CB-CD2 4.44Å; V2477-L2490 HydrophobicContact CG1-CD2 3.8Å; V2477-L2490 HydrophobicContact CG2-CD2 3.71Å; V2477-F2496 HydrophobicContact CB-CD2 3.63Å; V2477-F2496 HydrophobicContact CB-CE2 3.51Å; V2477-F2496 HydrophobicContact CB-CG 4.35Å; V2477-F2496 HydrophobicContact CB-CZ 4.12Å; V2477-F2496 HydrophobicContact CG1-CD2 4.26Å; V2477-F2496 HydrophobicContact CG1-CE1 4.43Å; V2477-F2496 HydrophobicContact CG1-CE2 3.79Å; V2477-F2496 HydrophobicContact CG1-CZ 3.87Å; V2477-F2496 HydrophobicContact CG2-CB 4.33Å; V2477-F2496 HydrophobicContact CG2-CD2 3.67Å; V2477-F2496 HydrophobicContact CG2-CE2 4.07Å; V2477-F2496 HydrophobicContact CG2-CG 3.98Å |
| 2478 | Y | 84.7 | Confident | 78.2 | Confident | 10 Ų | 10 | 39 Ų | 39 | 4% | 0.039 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 105.2 | 169.7 | -64.9 | -76.9 | 0 | 0 | 0 | 110.1 | P2398 I2401 I2447 P2471 Q2473 H2480 L2481 Y2482 | P2398-Y2478 PolarHBondContact O-N 2.79Å; I2401-Y2478 HydrophobicContact CB-CE2 3.98Å; I2401-Y2478 HydrophobicContact CD1-CD1 3.69Å; I2401-Y2478 HydrophobicContact CD1-CD2 3.69Å; I2401-Y2478 HydrophobicContact CD1-CE1 3.78Å; I2401-Y2478 HydrophobicContact CD1-CE2 3.78Å; I2401-Y2478 HydrophobicContact CD1-CG 3.63Å; I2401-Y2478 HydrophobicContact CG1-CD2 3.64Å; I2401-Y2478 HydrophobicContact CG1-CE1 4.49Å; I2401-Y2478 HydrophobicContact CG1-CE2 3.6Å; I2401-Y2478 HydrophobicContact CG1-CG 4.12Å; I2447-Y2478 HydrophobicContact CD1-CE1 4.33Å; P2471-Y2478 HydrophobicContact CB-CD1 4.35Å; P2471-Y2478 HydrophobicContact CB-CE1 4.47Å; Q2473-Y2478 HydrophobicContact CB-CD1 4.29Å; Q2473-Y2478 HydrophobicContact CB-CE1 4.31Å; Q2473-Y2478 HydrophobicContact CG-CD1 4.44Å; Q2473-Y2478 HydrophobicContact CG-CE1 4.41Å; Y2478-H2480 VanDerWaalsContact C-N 3.27Å; Y2478-H2480 PolarHBondContact O-N 3.17Å; Y2478-L2481 PolarHBondContact O-N 2.89Å; Y2478-L2481 VanDerWaalsContact O-N 3.17Å; Y2478-Y2482 PolarHBondContact O-N 2.94Å |
| 2479 | L | 81.7 | Confident | 78.9 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.8 | -40.1 | -173.1 | -69 | 174.4 | 0 | 0 | 0 | 113.2 | I2472 I2474 V2477 Y2482 I2483 F2496 L2520 L2521 A2524 | I2472-L2479 HydrophobicContact CB-CD1 3.96Å; I2472-L2479 HydrophobicContact CG2-CD1 3.47Å; I2472-L2479 VanDerWaalsContact CG2-CD1 3.47Å; I2472-L2479 HydrophobicContact CG2-CG 4.35Å; I2472-L2479 PolarHBondContact O-N 3.48Å; I2472-L2479 VanDerWaalsContact O-N 3.1Å; I2474-L2479 HydrophobicContact CB-CD2 4.49Å; I2474-L2479 HydrophobicContact CD1-CD1 3.74Å; I2474-L2479 HydrophobicContact CD1-CD2 4.32Å; I2474-L2479 HydrophobicContact CD1-CG 4.39Å; I2474-L2479 HydrophobicContact CG1-CD1 4.05Å; I2474-L2479 HydrophobicContact CG1-CG 4.37Å; V2477-L2479 PolarHBondContact O-N 2.95Å; L2479-Y2482 PolarHBondContact O-N 2.96Å; L2479-I2483 WeakPolarHBondContact O-CD1 3.26Å; L2479-I2483 VanDerWaalsContact O-CG1 3.28Å; L2479-I2483 WeakPolarHBondContact O-CG1 3.06Å; L2479-I2483 PolarHBondContact O-N 3.42Å; L2479-I2483 VanDerWaalsContact O-N 3.09Å; L2479-F2496 HydrophobicContact CD2-CE2 3.56Å; L2479-F2496 HydrophobicContact CD2-CZ 3.52Å; L2479-L2520 HydrophobicContact CB-CD2 3.44Å; L2479-L2520 VanDerWaalsContact CB-CD2 3.44Å; L2479-L2520 HydrophobicContact CB-CG 4.41Å; L2479-L2520 HydrophobicContact CD1-CD2 3.53Å; L2479-L2520 HydrophobicContact CG-CD2 4.13Å; L2479-L2521 HydrophobicContact CD1-CD2 3.5Å; L2479-L2521 VanDerWaalsContact CD1-CD2 3.5Å; L2479-L2521 HydrophobicContact CD1-CG 4.35Å; L2479-L2521 HydrophobicContact CD2-CD2 4.39Å; L2479-A2524 HydrophobicContact CD2-CB 3.66Å |
| 2480 | H | 77.9 | Confident | 79.4 | Confident | 21 Ų | 21 | 35.6 Ų | 35.6 | 10% | 0.097 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.4 | -38.3 | -177.7 | 70.7 | -81.8 | 0 | 0 | 0 | 112.4 | I2462 V2466 Y2478 S2484 | I2462-H2480 HydrophobicContact CG2-CB 3.83Å; V2466-H2480 HydrophobicContact CG2-CB 3.75Å; V2466-H2480 VanDerWaalsContact CG2-CD2 3.49Å; V2466-H2480 WeakPolarHBondContact CG2-CD2 3.31Å; V2466-H2480 VanDerWaalsContact CG2-CG 3.44Å; Y2478-H2480 VanDerWaalsContact C-N 3.27Å; Y2478-H2480 PolarHBondContact O-N 3.17Å; H2480-S2484 PolarHBondContact O-N 2.98Å |
| 2481 | L | 80.4 | Confident | 79.8 | Confident | 10 Ų | 10 | 41.5 Ų | 41.5 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -74.8 | -34.1 | 175 | -69.3 | 178.9 | 0 | 0 | 0 | 112.1 | E2396 N2397 P2398 I2401 Y2478 I2483 S2484 H2485 | E2396-L2481 HydrophobicContact CG-CD1 4.15Å; E2396-L2481 HydrophobicContact CG-CD2 4.28Å; N2397-L2481 WeakPolarHBondContact O-CD1 3.47Å; P2398-L2481 HydrophobicContact CG-CB 4.41Å; I2401-L2481 HydrophobicContact CD1-CD1 3.62Å; I2401-L2481 HydrophobicContact CG1-CD1 3.51Å; Y2478-L2481 PolarHBondContact O-N 2.89Å; Y2478-L2481 VanDerWaalsContact O-N 3.17Å; L2481-I2483 VanDerWaalsContact C-N 3.34Å; L2481-S2484 WeakPolarHBondContact CA-OG 3.45Å; L2481-S2484 PolarHBondContact O-N 3.44Å; L2481-S2484 PolarHBondContact O-OG 2.9Å; L2481-H2485 WeakPolarHBondContact O-CB 3.46Å; L2481-H2485 PolarHBondContact O-N 2.94Å; L2481-H2485 VanDerWaalsContact O-N 3.08Å; L2481-H2485 PolarHBondContact O-ND1 2.98Å |
| 2482 | Y | 83.5 | Confident | 80.2 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 176.4 | -173.8 | -111.9 | 0 | 0 | 0 | 111.6 | P2398 V2477 Y2478 L2479 S2484 H2485 W2488 L2490 F2496 T2527 V2528 D2531 | P2398-Y2482 HydrophobicContact CB-CD2 3.97Å; P2398-Y2482 HydrophobicContact CB-CG 4.44Å; P2398-Y2482 HydrophobicContact CG-CD2 4.1Å; V2477-Y2482 HydrophobicContact CG1-CD2 4.48Å; V2477-Y2482 HydrophobicContact CG1-CG 4.27Å; Y2478-Y2482 PolarHBondContact O-N 2.94Å; L2479-Y2482 PolarHBondContact O-N 2.96Å; Y2482-S2484 VanDerWaalsContact C-N 3.33Å; Y2482-S2484 PolarHBondContact O-N 3.17Å; Y2482-H2485 CarbonylContact O-C 3.58Å; Y2482-H2485 PolarHBondContact O-N 2.87Å; Y2482-W2488 HydrophobicContact CD2-CB 4.3Å; Y2482-W2488 HydrophobicContact CE2-CB 4.17Å; Y2482-L2490 HydrophobicContact CD2-CD1 4.29Å; Y2482-L2490 HydrophobicContact CD2-CD2 3.94Å; Y2482-L2490 HydrophobicContact CD2-CG 4.27Å; Y2482-L2490 HydrophobicContact CE2-CD1 3.82Å; Y2482-L2490 HydrophobicContact CE2-CD2 4.04Å; Y2482-L2490 HydrophobicContact CE2-CG 3.85Å; Y2482-F2496 AromaticContact CD1-CE1 3.93Å; Y2482-F2496 HydrophobicContact CD1-CE1 3.93Å; Y2482-F2496 HydrophobicContact CD1-CZ 4.16Å; Y2482-F2496 HydrophobicContact CE1-CE1 4.05Å; Y2482-F2496 HydrophobicContact CG-CE1 4.46Å; Y2482-T2527 HydrophobicContact CD1-CG2 4.42Å; Y2482-T2527 HydrophobicContact CE1-CG2 3.75Å; Y2482-V2528 HydrophobicContact CD1-CG2 4.27Å; Y2482-V2528 HydrophobicContact CE1-CB 4.33Å; Y2482-V2528 HydrophobicContact CE1-CG2 3.33Å; Y2482-V2528 VanDerWaalsContact OH-CA 3.27Å; Y2482-V2528 WeakPolarHBondContact OH-CA 3.38Å; Y2482-V2528 PolarHBondContact OH-N 3.48Å; Y2482-D2531 PolarHBondContact OH-OD2 3.48Å |
| 2483 | I | 80.7 | Confident | 80.5 | Confident | 29 Ų | 29 | 45.7 Ų | 45.7 | 15% | 0.149 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.4 | -34.1 | 178.2 | -64.7 | 159.8 | 0 | 0 | 0 | 111.7 | L2479 L2481 H2485 L2520 R2523 A2524 | L2479-I2483 WeakPolarHBondContact O-CD1 3.26Å; L2479-I2483 VanDerWaalsContact O-CG1 3.28Å; L2479-I2483 WeakPolarHBondContact O-CG1 3.06Å; L2479-I2483 PolarHBondContact O-N 3.42Å; L2479-I2483 VanDerWaalsContact O-N 3.09Å; L2481-I2483 VanDerWaalsContact C-N 3.34Å; I2483-H2485 VanDerWaalsContact C-N 3.3Å; I2483-L2520 HydrophobicContact CD1-CD1 4.28Å; I2483-L2520 HydrophobicContact CD1-CG 3.81Å; I2483-L2520 VanDerWaalsContact CD1-O 3.31Å; I2483-L2520 WeakPolarHBondContact CD1-O 3.24Å; I2483-R2523 HydrophobicContact CD1-CB 3.8Å; I2483-R2523 HydrophobicContact CG1-CB 4.04Å; I2483-R2523 HydrophobicContact CG2-CB 4.21Å; I2483-A2524 HydrophobicContact CD1-CB 4.23Å; I2483-A2524 HydrophobicContact CG1-CB 4.21Å |
| 2484 | S | 77.7 | Confident | 80.6 | Confident | 47 Ų | 47 | 47.5 Ų | 47.5 | 33% | 0.329 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -74.4 | -21.4 | 176.9 | 64.4 | 0 | 0 | 0 | 0 | 113.4 | H2480 L2481 Y2482 P2486 | H2480-S2484 PolarHBondContact O-N 2.98Å; L2481-S2484 WeakPolarHBondContact CA-OG 3.45Å; L2481-S2484 PolarHBondContact O-N 3.44Å; L2481-S2484 PolarHBondContact O-OG 2.9Å; Y2482-S2484 VanDerWaalsContact C-N 3.33Å; Y2482-S2484 PolarHBondContact O-N 3.17Å; S2484-P2486 VanDerWaalsContact O-CD 3.26Å; S2484-P2486 WeakPolarHBondContact O-CD 3.23Å |
| 2485 | H | 79.1 | Confident | 80.7 | Confident | 84 Ų | 84 | 50.8 Ų | 50.8 | 39% | 0.389 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -118.8 | 66.8 | -179.7 | -56.8 | 103.3 | 0 | 0 | 0 | 111.3 | P2398 L2481 Y2482 I2483 W2488 | P2398-H2485 HydrophobicContact CG-CB 4.35Å; L2481-H2485 WeakPolarHBondContact O-CB 3.46Å; L2481-H2485 PolarHBondContact O-N 2.94Å; L2481-H2485 VanDerWaalsContact O-N 3.08Å; L2481-H2485 PolarHBondContact O-ND1 2.98Å; Y2482-H2485 CarbonylContact O-C 3.58Å; Y2482-H2485 PolarHBondContact O-N 2.87Å; I2483-H2485 VanDerWaalsContact C-N 3.3Å; H2485-W2488 WeakPolarHBondContact O-CB 3.44Å; H2485-W2488 PolarHBondContact O-N 3.21Å |
| 2486 | P | 72.5 | Confident | 81.3 | Confident | 92 Ų | 92 | 50 Ų | 50 | 60% | 0.597 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 140.3 | 175.4 | 27.3 | -33.5 | 0 | 0 | 0 | 110.4 | S2484 T2527 | S2484-P2486 VanDerWaalsContact O-CD 3.26Å; S2484-P2486 WeakPolarHBondContact O-CD 3.23Å; P2486-T2527 HydrophobicContact CB-CG2 3.99Å |
| 2487 | G | 78.4 | Confident | 81.8 | Confident | 42 Ų | 42 | 47.5 Ų | 47.5 | 43% | 0.433 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91 | -2.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | T2489 D2531 | G2487-T2489 PolarHBondContact O-N 3.38Å; G2487-D2531 WeakPolarHBondContact CA-OD2 3.32Å; G2487-D2531 PolarHBondContact N-OD1 2.88Å; G2487-D2531 VanDerWaalsContact N-OD1 3.11Å; G2487-D2531 PolarHBondContact N-OD2 3.1Å |
| 2488 | W | 82.3 | Confident | 81.9 | Confident | 91 Ų | 91 | 50.1 Ų | 50.1 | 35% | 0.345 | 26% | 0.264 | S | S | . | . | trans | -63.4 | 128.3 | 176.2 | -175.8 | -87.1 | 0 | 0 | 0 | 111.4 | N2397 P2398 Y2482 H2485 L2490 | N2397-W2488 HydrophobicContact CB-CE3 4.41Å; N2397-W2488 HydrophobicContact CB-CH2 3.37Å; N2397-W2488 HydrophobicContact CB-CZ2 3.64Å; N2397-W2488 HydrophobicContact CB-CZ3 3.79Å; P2398-W2488 HydrophobicContact CB-CG 4.25Å; P2398-W2488 HydrophobicContact CG-CB 3.96Å; P2398-W2488 HydrophobicContact CG-CD2 3.92Å; P2398-W2488 HydrophobicContact CG-CG 3.6Å; Y2482-W2488 HydrophobicContact CD2-CB 4.3Å; Y2482-W2488 HydrophobicContact CE2-CB 4.17Å; H2485-W2488 WeakPolarHBondContact O-CB 3.44Å; H2485-W2488 PolarHBondContact O-N 3.21Å; W2488-L2490 PolarHBondContact O-N 3.41Å | ||
| 2489 | T | 83.2 | Confident | 82.1 | Confident | 60 Ų | 60 | 53.7 Ų | 53.7 | 37% | 0.368 | 28% | 0.281 | S | S | . | . | trans | -85.4 | 102.1 | -178.1 | 58.5 | 0 | 0 | 0 | 0 | 111.1 | G2487 R2532 | G2487-T2489 PolarHBondContact O-N 3.38Å; T2489-R2532 VanDerWaalsContact CG2-NH2 3.25Å | ||
| 2490 | L | 82.4 | Confident | 82.5 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 11% | 0.105 | 28% | 0.281 | C | S | . | . | trans | -71 | 145.6 | 176.5 | -60.1 | 172.1 | 0 | 0 | 0 | 112 | P2398 E2399 V2477 Y2482 W2488 P2493 F2496 V2528 | P2398-L2490 HydrophobicContact CB-CD2 4.49Å; E2399-L2490 HydrophobicContact CG-CD2 4.17Å; E2399-L2490 WeakPolarHBondContact OE1-CA 3.35Å; V2477-L2490 HydrophobicContact CB-CD2 4.44Å; V2477-L2490 HydrophobicContact CG1-CD2 3.8Å; V2477-L2490 HydrophobicContact CG2-CD2 3.71Å; Y2482-L2490 HydrophobicContact CD2-CD1 4.29Å; Y2482-L2490 HydrophobicContact CD2-CD2 3.94Å; Y2482-L2490 HydrophobicContact CD2-CG 4.27Å; Y2482-L2490 HydrophobicContact CE2-CD1 3.82Å; Y2482-L2490 HydrophobicContact CE2-CD2 4.04Å; Y2482-L2490 HydrophobicContact CE2-CG 3.85Å; W2488-L2490 PolarHBondContact O-N 3.41Å; L2490-P2493 HydrophobicContact CB-CB 4.2Å; L2490-F2496 HydrophobicContact CD1-CB 4.29Å; L2490-F2496 HydrophobicContact CD1-CD1 3.26Å; L2490-F2496 HydrophobicContact CD1-CE1 3.71Å; L2490-F2496 HydrophobicContact CD1-CG 3.96Å; L2490-V2528 HydrophobicContact CD1-CG2 4.27Å | ||
| 2491 | R | 76.3 | Confident | 83.1 | Confident | 145 Ų | 145 | 52.8 Ų | 52.8 | 55% | 0.547 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -67.6 | -50.2 | 176.6 | -73.1 | 177.9 | -144 | -114 | -6.3 | 112.8 | V2375 E2399 P2493 | V2375-R2491 VanDerWaalsContact CG1-NH2 3.26Å; E2399-R2491 PolarHBondContact OE1-N 3.32Å; E2399-R2491 IonicContact OE2-CZ 2.86Å; E2399-R2491 IonicContact OE2-NE 3.69Å; E2399-R2491 PolarHBondContact OE2-NE 3.12Å; E2399-R2491 IonicContact OE2-NH2 3.18Å; R2491-P2493 VanDerWaalsContact O-CD 3.25Å; R2491-P2493 WeakPolarHBondContact O-CD 3.18Å |
| 2492 | N | 80.4 | Confident | 83.5 | Confident | 105 Ų | 105 | 57.4 Ų | 57.4 | 56% | 0.561 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -118.9 | 67.9 | -179.2 | -71.3 | -32.7 | 0 | 0 | 0 | 110.3 | E2494 L2495 F2496 | N2492-E2494 VanDerWaalsContact C-N 3.26Å; N2492-E2494 PolarHBondContact O-N 3.49Å; N2492-L2495 HydrophobicContact CB-CB 3.99Å; N2492-L2495 PolarHBondContact O-N 3.32Å; N2492-F2496 PolarHBondContact O-N 3.32Å |
| 2493 | P | 83.6 | Confident | 83.8 | Confident | 35 Ų | 35 | 61.3 Ų | 61.3 | 23% | 0.227 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.3 | -30.4 | -173.8 | 27.7 | -35 | 0 | 0 | 0 | 112.6 | L2490 R2491 L2497 L2535 | L2490-P2493 HydrophobicContact CB-CB 4.2Å; R2491-P2493 VanDerWaalsContact O-CD 3.25Å; R2491-P2493 WeakPolarHBondContact O-CD 3.18Å; P2493-L2497 VanDerWaalsContact O-CB 3.23Å; P2493-L2497 WeakPolarHBondContact O-CB 3.49Å; P2493-L2497 PolarHBondContact O-N 3.35Å; P2493-L2535 HydrophobicContact CB-CD1 3.78Å; P2493-L2535 HydrophobicContact CB-CD2 4.47Å; P2493-L2535 HydrophobicContact CG-CD1 4.48Å; P2493-L2535 HydrophobicContact CG-CD2 4.48Å |
| 2494 | E | 84.6 | Confident | 84.3 | Confident | 116 Ų | 116 | 59.9 Ų | 59.9 | 54% | 0.542 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 175.4 | -68.6 | -173.1 | 170.3 | 0 | 0 | 112.1 | N2492 N2498 L2535 | N2492-E2494 VanDerWaalsContact C-N 3.26Å; N2492-E2494 PolarHBondContact O-N 3.49Å; E2494-N2498 WeakPolarHBondContact O-CB 3.11Å; E2494-N2498 VanDerWaalsContact O-CG 3.27Å; E2494-N2498 PolarHBondContact O-N 2.9Å; E2494-N2498 PolarHBondContact O-ND2 2.85Å; E2494-L2535 HydrophobicContact CG-CD2 3.58Å |
| 2495 | L | 85.1 | Confident | 84.9 | Confident | 80 Ų | 80 | 58.7 Ų | 58.7 | 42% | 0.419 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 177.4 | -164.1 | 157.1 | 0 | 0 | 0 | 110 | A2475 N2492 N2498 E2499 | A2475-L2495 HydrophobicContact CB-CD2 3.29Å; N2492-L2495 HydrophobicContact CB-CB 3.99Å; N2492-L2495 PolarHBondContact O-N 3.32Å; L2495-N2498 PolarHBondContact O-N 3.14Å; L2495-E2499 HydrophobicContact CD2-CG 4Å; L2495-E2499 WeakPolarHBondContact CD2-OE1 3.12Å; L2495-E2499 PolarHBondContact O-N 3.48Å |
| 2496 | F | 89.6 | Confident | 85.3 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 0% | 0.004 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.7 | -48.5 | 175.3 | 176.3 | -116.5 | 0 | 0 | 0 | 112.9 | I2474 A2475 V2477 L2479 Y2482 L2490 N2492 N2498 C2500 A2524 V2528 | I2474-F2496 HydrophobicContact CB-CD2 4.26Å; I2474-F2496 HydrophobicContact CB-CE2 4.09Å; I2474-F2496 HydrophobicContact CG2-CD2 4.1Å; I2474-F2496 HydrophobicContact CG2-CE2 4.31Å; I2474-F2496 VanDerWaalsContact O-CD2 3.31Å; I2474-F2496 WeakPolarHBondContact O-CD2 3.22Å; A2475-F2496 VanDerWaalsContact CB-CA 3.4Å; A2475-F2496 HydrophobicContact CB-CB 3.83Å; A2475-F2496 HydrophobicContact CB-CD2 4.06Å; A2475-F2496 HydrophobicContact CB-CG 4.47Å; V2477-F2496 HydrophobicContact CB-CD2 3.63Å; V2477-F2496 HydrophobicContact CB-CE2 3.51Å; V2477-F2496 HydrophobicContact CB-CG 4.35Å; V2477-F2496 HydrophobicContact CB-CZ 4.12Å; V2477-F2496 HydrophobicContact CG1-CD2 4.26Å; V2477-F2496 HydrophobicContact CG1-CE1 4.43Å; V2477-F2496 HydrophobicContact CG1-CE2 3.79Å; V2477-F2496 HydrophobicContact CG1-CZ 3.87Å; V2477-F2496 HydrophobicContact CG2-CB 4.33Å; V2477-F2496 HydrophobicContact CG2-CD2 3.67Å; V2477-F2496 HydrophobicContact CG2-CE2 4.07Å; V2477-F2496 HydrophobicContact CG2-CG 3.98Å; L2479-F2496 HydrophobicContact CD2-CE2 3.56Å; L2479-F2496 HydrophobicContact CD2-CZ 3.52Å; Y2482-F2496 AromaticContact CD1-CE1 3.93Å; Y2482-F2496 HydrophobicContact CD1-CE1 3.93Å; Y2482-F2496 HydrophobicContact CD1-CZ 4.16Å; Y2482-F2496 HydrophobicContact CE1-CE1 4.05Å; Y2482-F2496 HydrophobicContact CG-CE1 4.46Å; L2490-F2496 HydrophobicContact CD1-CB 4.29Å; L2490-F2496 HydrophobicContact CD1-CD1 3.26Å; L2490-F2496 HydrophobicContact CD1-CE1 3.71Å; L2490-F2496 HydrophobicContact CD1-CG 3.96Å; N2492-F2496 PolarHBondContact O-N 3.32Å; F2496-N2498 VanDerWaalsContact C-N 3.33Å; F2496-N2498 PolarHBondContact O-N 2.96Å; F2496-C2500 HydrophobicContact CE2-CB 4.41Å; F2496-C2500 WeakPolarHBondContact O-CA 3.24Å; F2496-C2500 WeakPolarHBondContact O-CB 3.37Å; F2496-C2500 PolarHBondContact O-N 3.2Å; F2496-A2524 HydrophobicContact CZ-CB 4.42Å; F2496-V2528 HydrophobicContact CD1-CG2 3.52Å; F2496-V2528 HydrophobicContact CE1-CG2 3.25Å; F2496-V2528 HydrophobicContact CZ-CG2 4.49Å |
| 2497 | L | 89.7 | Confident | 86 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61 | -43.3 | 178.2 | 179.8 | 61.7 | 0 | 0 | 0 | 111.2 | P2493 C2500 M2501 V2528 L2529 L2535 L2539 | P2493-L2497 VanDerWaalsContact O-CB 3.23Å; P2493-L2497 WeakPolarHBondContact O-CB 3.49Å; P2493-L2497 PolarHBondContact O-N 3.35Å; L2497-C2500 PolarHBondContact O-N 3.42Å; L2497-M2501 HydrophobicContact CD1-CG 3.96Å; L2497-M2501 HydrophobicContact CG-CG 4.38Å; L2497-M2501 VanDerWaalsContact O-CB 3.24Å; L2497-M2501 WeakPolarHBondContact O-CB 3.38Å; L2497-M2501 WeakPolarHBondContact O-CG 3.47Å; L2497-M2501 PolarHBondContact O-N 2.97Å; L2497-V2528 HydrophobicContact CB-CG1 4.35Å; L2497-V2528 HydrophobicContact CD1-CG1 4.32Å; L2497-L2529 HydrophobicContact CD1-CD2 4.04Å; L2497-L2529 HydrophobicContact CD1-CG 4.33Å; L2497-L2529 HydrophobicContact CD2-CD2 3.72Å; L2497-L2535 HydrophobicContact CD2-CB 3.84Å; L2497-L2535 HydrophobicContact CD2-CD1 4.5Å; L2497-L2539 HydrophobicContact CD1-CD2 4.49Å; L2497-L2539 HydrophobicContact CD2-CD2 3.76Å; L2497-L2539 HydrophobicContact CD2-CG 4.38Å; L2497-L2539 HydrophobicContact CG-CD2 4.11Å |
| 2498 | N | 87.2 | Confident | 86.5 | Confident | 59 Ų | 59 | 52.7 Ų | 52.7 | 32% | 0.316 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.5 | -48.4 | -179.6 | -75.3 | -29 | 0 | 0 | 0 | 112.4 | E2494 L2495 F2496 C2500 M2501 E2502 S2542 N2544 | E2494-N2498 WeakPolarHBondContact O-CB 3.11Å; E2494-N2498 VanDerWaalsContact O-CG 3.27Å; E2494-N2498 PolarHBondContact O-N 2.9Å; E2494-N2498 PolarHBondContact O-ND2 2.85Å; L2495-N2498 PolarHBondContact O-N 3.14Å; F2496-N2498 VanDerWaalsContact C-N 3.33Å; F2496-N2498 PolarHBondContact O-N 2.96Å; N2498-C2500 VanDerWaalsContact C-N 3.34Å; N2498-C2500 PolarHBondContact O-N 2.86Å; N2498-M2501 PolarHBondContact O-N 3.25Å; N2498-E2502 WeakPolarHBondContact O-CB 3.28Å; N2498-E2502 PolarHBondContact O-N 3.44Å; N2498-S2542 WeakPolarHBondContact OD1-CB 3.26Å; N2498-S2542 PolarHBondContact OD1-OG 2.94Å; N2498-N2544 PolarHBondContact OD1-ND2 3.48Å |
| 2499 | E | 87.8 | Confident | 86.7 | Confident | 85 Ų | 85 | 53.7 Ų | 53.7 | 40% | 0.397 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.7 | -36.3 | 176.6 | -69.9 | -168.6 | -178.2 | 0 | 0 | 111.9 | I2474 A2475 L2495 E2502 K2503 | I2474-E2499 HydrophobicContact CG2-CB 3.42Å; I2474-E2499 VanDerWaalsContact CG2-CB 3.42Å; A2475-E2499 WeakPolarHBondContact CA-OE2 3.38Å; A2475-E2499 PolarHBondContact N-OE2 2.77Å; L2495-E2499 HydrophobicContact CD2-CG 4Å; L2495-E2499 WeakPolarHBondContact CD2-OE1 3.12Å; L2495-E2499 PolarHBondContact O-N 3.48Å; E2499-E2502 PolarHBondContact O-N 2.89Å; E2499-K2503 WeakPolarHBondContact O-CB 3.36Å; E2499-K2503 PolarHBondContact O-N 3.21Å |
| 2500 | C | 90.9 | Very high | 86.8 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 177.9 | -170.7 | 0 | 0 | 0 | 0 | 110.9 | I2474 F2496 L2497 N2498 W2504 L2521 C2525 | I2474-C2500 HydrophobicContact CD1-CB 4.41Å; I2474-C2500 HydrophobicContact CG2-CB 4.17Å; F2496-C2500 HydrophobicContact CE2-CB 4.41Å; F2496-C2500 WeakPolarHBondContact O-CA 3.24Å; F2496-C2500 WeakPolarHBondContact O-CB 3.37Å; F2496-C2500 PolarHBondContact O-N 3.2Å; L2497-C2500 PolarHBondContact O-N 3.42Å; N2498-C2500 VanDerWaalsContact C-N 3.34Å; N2498-C2500 PolarHBondContact O-N 2.86Å; C2500-W2504 WeakPolarHBondContact O-CB 3.36Å; C2500-W2504 PolarHBondContact O-N 3.46Å; C2500-L2521 VanDerWaalsContact SG-CD2 3.53Å; C2500-C2525 PolarHBondContact SG-SG 3.04Å |
| 2501 | M | 90 | Very high | 86.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 173.8 | -73.7 | -68.4 | -73.8 | 0 | 0 | 111.5 | L2497 N2498 W2504 I2505 C2525 N2544 V2548 I2567 | L2497-M2501 HydrophobicContact CD1-CG 3.96Å; L2497-M2501 HydrophobicContact CG-CG 4.38Å; L2497-M2501 VanDerWaalsContact O-CB 3.24Å; L2497-M2501 WeakPolarHBondContact O-CB 3.38Å; L2497-M2501 WeakPolarHBondContact O-CG 3.47Å; L2497-M2501 PolarHBondContact O-N 2.97Å; N2498-M2501 PolarHBondContact O-N 3.25Å; M2501-W2504 HydrophobicContact CE-CE3 4.31Å; M2501-W2504 HydrophobicContact CE-CZ3 4.38Å; M2501-W2504 PolarHBondContact O-N 3.31Å; M2501-W2504 HydrophobicContact SD-CE3 4.3Å; M2501-I2505 WeakPolarHBondContact O-CB 3.39Å; M2501-I2505 WeakPolarHBondContact O-CD1 3.49Å; M2501-I2505 WeakPolarHBondContact O-CG1 3.37Å; M2501-I2505 PolarHBondContact O-N 3.46Å; M2501-C2525 HydrophobicContact SD-CB 4.26Å; M2501-C2525 VanDerWaalsContact SD-SG 3.69Å; M2501-N2544 HydrophobicContact CE-CB 4.09Å; M2501-V2548 HydrophobicContact CE-CG2 3.49Å; M2501-V2548 VanDerWaalsContact CE-CG2 3.49Å; M2501-I2567 HydrophobicContact CE-CG2 4.22Å |
| 2502 | E | 88.6 | Confident | 87 | Confident | 108 Ų | 108 | 52.9 Ų | 52.9 | 51% | 0.505 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 175.4 | -175.6 | 161.6 | -142 | 0 | 0 | 111.4 | N2498 E2499 W2504 I2505 E2506 | N2498-E2502 WeakPolarHBondContact O-CB 3.28Å; N2498-E2502 PolarHBondContact O-N 3.44Å; E2499-E2502 PolarHBondContact O-N 2.89Å; E2502-W2504 VanDerWaalsContact C-N 3.33Å; E2502-W2504 PolarHBondContact O-N 3.36Å; E2502-I2505 PolarHBondContact O-N 2.8Å; E2502-E2506 PolarHBondContact O-N 2.83Å |
| 2503 | K | 89 | Confident | 87 | Confident | 85 Ų | 85 | 55.3 Ų | 55.3 | 37% | 0.37 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.8 | -34.2 | 175 | -157.2 | 73.9 | -168.6 | 163.3 | 0 | 112.5 | I2474 E2499 E2506 A2507 L2521 | I2474-K2503 HydrophobicContact CD1-CB 3.75Å; I2474-K2503 HydrophobicContact CD1-CG 4.01Å; E2499-K2503 WeakPolarHBondContact O-CB 3.36Å; E2499-K2503 PolarHBondContact O-N 3.21Å; K2503-E2506 WeakPolarHBondContact CD-OE2 3.35Å; K2503-E2506 WeakPolarHBondContact CE-OE2 3.32Å; K2503-E2506 IonicContact NZ-OE1 2.92Å; K2503-E2506 IonicContact NZ-OE2 3.66Å; K2503-E2506 PolarHBondContact NZ-OE2 3.1Å; K2503-E2506 PolarHBondContact O-N 3Å; K2503-A2507 VanDerWaalsContact O-CB 3.22Å; K2503-A2507 WeakPolarHBondContact O-CB 3.28Å; K2503-A2507 PolarHBondContact O-N 3.44Å; K2503-L2521 HydrophobicContact CB-CD1 4.26Å; K2503-L2521 HydrophobicContact CB-CD2 4.43Å; K2503-L2521 HydrophobicContact CG-CD1 4.16Å |
| 2504 | W | 92.5 | Very high | 87 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 176.6 | 178.7 | 80.1 | 0 | 0 | 0 | 111.3 | C2500 M2501 E2502 A2507 I2508 L2521 T2522 V2548 L2551 A2563 I2564 I2567 | C2500-W2504 WeakPolarHBondContact O-CB 3.36Å; C2500-W2504 PolarHBondContact O-N 3.46Å; M2501-W2504 HydrophobicContact CE-CE3 4.31Å; M2501-W2504 HydrophobicContact CE-CZ3 4.38Å; M2501-W2504 PolarHBondContact O-N 3.31Å; M2501-W2504 HydrophobicContact SD-CE3 4.3Å; E2502-W2504 VanDerWaalsContact C-N 3.33Å; E2502-W2504 PolarHBondContact O-N 3.36Å; W2504-A2507 PolarHBondContact O-N 2.85Å; W2504-I2508 HydrophobicContact CD2-CD1 3.71Å; W2504-I2508 HydrophobicContact CE3-CD1 3.95Å; W2504-I2508 HydrophobicContact CG-CD1 4.47Å; W2504-I2508 HydrophobicContact CH2-CD1 3.51Å; W2504-I2508 HydrophobicContact CZ2-CD1 3.27Å; W2504-I2508 HydrophobicContact CZ3-CD1 3.82Å; W2504-I2508 WeakPolarHBondContact O-CG1 3.5Å; W2504-I2508 PolarHBondContact O-N 3.25Å; W2504-L2521 HydrophobicContact CB-CB 4.01Å; W2504-L2521 HydrophobicContact CB-CD1 4.24Å; W2504-L2521 HydrophobicContact CG-CB 4.22Å; W2504-T2522 PolarHBondContact NE1-OG1 3.26Å; W2504-V2548 HydrophobicContact CH2-CG1 4.39Å; W2504-V2548 HydrophobicContact CH2-CG2 4.39Å; W2504-V2548 HydrophobicContact CZ3-CG2 3.83Å; W2504-L2551 HydrophobicContact CE3-CD1 4.47Å; W2504-L2551 HydrophobicContact CH2-CD1 4.23Å; W2504-L2551 HydrophobicContact CZ3-CD1 3.78Å; W2504-A2563 HydrophobicContact CZ2-CB 4.06Å; W2504-I2564 HydrophobicContact CH2-CG1 3.93Å; W2504-I2564 HydrophobicContact CZ2-CG1 4.23Å; W2504-I2567 HydrophobicContact CH2-CB 4.27Å; W2504-I2567 HydrophobicContact CH2-CG1 4.07Å; W2504-I2567 HydrophobicContact CZ2-CB 4.28Å; W2504-I2567 HydrophobicContact CZ2-CG1 3.63Å |
| 2505 | I | 89.4 | Confident | 87 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 11% | 0.108 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 174.3 | -66.8 | 158.6 | 0 | 0 | 0 | 110.2 | M2501 E2502 A2507 I2508 H2509 R2547 L2551 | M2501-I2505 WeakPolarHBondContact O-CB 3.39Å; M2501-I2505 WeakPolarHBondContact O-CD1 3.49Å; M2501-I2505 WeakPolarHBondContact O-CG1 3.37Å; M2501-I2505 PolarHBondContact O-N 3.46Å; E2502-I2505 PolarHBondContact O-N 2.8Å; I2505-A2507 VanDerWaalsContact C-N 3.33Å; I2505-A2507 PolarHBondContact O-N 3.37Å; I2505-I2508 PolarHBondContact O-N 3.38Å; I2505-H2509 PolarHBondContact O-N 3.21Å; I2505-H2509 PolarHBondContact O-ND1 3.17Å; I2505-R2547 HydrophobicContact CD1-CB 3.58Å; I2505-R2547 HydrophobicContact CD1-CG 4.26Å; I2505-L2551 HydrophobicContact CG1-CD1 4.2Å |
| 2506 | E | 88.3 | Confident | 86.9 | Confident | 84 Ų | 84 | 49.3 Ų | 49.3 | 39% | 0.393 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.6 | -44.8 | 176.5 | -166.5 | -166.5 | 164.6 | 0 | 0 | 111.4 | E2502 K2503 I2508 H2509 Q2510 | E2502-E2506 PolarHBondContact O-N 2.83Å; K2503-E2506 WeakPolarHBondContact CD-OE2 3.35Å; K2503-E2506 WeakPolarHBondContact CE-OE2 3.32Å; K2503-E2506 IonicContact NZ-OE1 2.92Å; K2503-E2506 IonicContact NZ-OE2 3.66Å; K2503-E2506 PolarHBondContact NZ-OE2 3.1Å; K2503-E2506 PolarHBondContact O-N 3Å; E2506-I2508 PolarHBondContact O-N 3.34Å; E2506-H2509 PolarHBondContact O-N 3Å; E2506-Q2510 WeakPolarHBondContact O-CG 3.42Å; E2506-Q2510 PolarHBondContact O-N 3.21Å; E2506-Q2510 PolarHBondContact OE1-NE2 2.85Å |
| 2507 | A | 87.4 | Confident | 86.7 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K2503 W2504 I2505 H2509 Q2510 S2514 L2517 V2518 L2521 | K2503-A2507 VanDerWaalsContact O-CB 3.22Å; K2503-A2507 WeakPolarHBondContact O-CB 3.28Å; K2503-A2507 PolarHBondContact O-N 3.44Å; W2504-A2507 PolarHBondContact O-N 2.85Å; I2505-A2507 VanDerWaalsContact C-N 3.33Å; I2505-A2507 PolarHBondContact O-N 3.37Å; A2507-H2509 VanDerWaalsContact C-N 3.29Å; A2507-H2509 PolarHBondContact O-N 3.09Å; A2507-Q2510 PolarHBondContact O-N 3.08Å; A2507-S2514 WeakPolarHBondContact O-CB 3.46Å; A2507-S2514 PolarHBondContact O-OG 2.88Å; A2507-L2517 HydrophobicContact CB-CD2 3.75Å; A2507-L2517 HydrophobicContact CB-CG 3.93Å; A2507-V2518 HydrophobicContact CB-CG2 3.68Å; A2507-L2521 HydrophobicContact CB-CD1 3.92Å |
| 2508 | I | 87.8 | Confident | 86.6 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61 | -39.1 | 176.4 | -76.5 | 177.4 | 0 | 0 | 0 | 111.6 | W2504 I2505 E2506 Q2510 L2511 V2518 L2551 V2555 I2564 | W2504-I2508 HydrophobicContact CD2-CD1 3.71Å; W2504-I2508 HydrophobicContact CE3-CD1 3.95Å; W2504-I2508 HydrophobicContact CG-CD1 4.47Å; W2504-I2508 HydrophobicContact CH2-CD1 3.51Å; W2504-I2508 HydrophobicContact CZ2-CD1 3.27Å; W2504-I2508 HydrophobicContact CZ3-CD1 3.82Å; W2504-I2508 WeakPolarHBondContact O-CG1 3.5Å; W2504-I2508 PolarHBondContact O-N 3.25Å; I2505-I2508 PolarHBondContact O-N 3.38Å; E2506-I2508 PolarHBondContact O-N 3.34Å; I2508-Q2510 PolarHBondContact O-N 2.88Å; I2508-L2511 HydrophobicContact CG1-CD1 4.48Å; I2508-L2511 HydrophobicContact CG2-CD1 4.38Å; I2508-L2511 PolarHBondContact O-N 3.35Å; I2508-V2518 HydrophobicContact CG1-CG1 3.93Å; I2508-V2518 HydrophobicContact CG1-CG2 4.05Å; I2508-L2551 HydrophobicContact CB-CD1 4.37Å; I2508-L2551 HydrophobicContact CD1-CD1 3.83Å; I2508-L2551 HydrophobicContact CG2-CD1 4.11Å; I2508-L2551 HydrophobicContact CG2-CD2 3.83Å; I2508-L2551 HydrophobicContact CG2-CG 4.48Å; I2508-V2555 HydrophobicContact CG2-CG2 3.45Å; I2508-V2555 VanDerWaalsContact CG2-CG2 3.45Å; I2508-I2564 HydrophobicContact CD1-CG1 4.17Å |
| 2509 | H | 87.3 | Confident | 86.5 | Confident | 113 Ų | 113 | 51.6 Ų | 51.6 | 52% | 0.523 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.9 | -17.5 | 175.9 | -69 | 104.9 | 0 | 0 | 0 | 113.5 | I2505 E2506 A2507 | I2505-H2509 PolarHBondContact O-N 3.21Å; I2505-H2509 PolarHBondContact O-ND1 3.17Å; E2506-H2509 PolarHBondContact O-N 3Å; A2507-H2509 VanDerWaalsContact C-N 3.29Å; A2507-H2509 PolarHBondContact O-N 3.09Å |
| 2510 | Q | 85.3 | Confident | 86.4 | Confident | 96 Ų | 96 | 47.8 Ų | 47.8 | 45% | 0.449 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 7.2 | 180 | -65.3 | 175.7 | 7.6 | 0 | 0 | 113.9 | E2506 A2507 I2508 N2513 S2514 | E2506-Q2510 WeakPolarHBondContact O-CG 3.42Å; E2506-Q2510 PolarHBondContact O-N 3.21Å; E2506-Q2510 PolarHBondContact OE1-NE2 2.85Å; A2507-Q2510 PolarHBondContact O-N 3.08Å; I2508-Q2510 PolarHBondContact O-N 2.88Å; Q2510-N2513 WeakPolarHBondContact O-CB 3.42Å; Q2510-N2513 PolarHBondContact O-N 3.4Å; Q2510-N2513 VanDerWaalsContact O-N 3.07Å; Q2510-S2514 VanDerWaalsContact C-OG 3.25Å; Q2510-S2514 PolarHBondContact O-N 3.5Å; Q2510-S2514 PolarHBondContact O-OG 3.18Å |
| 2511 | L | 84.6 | Confident | 86.4 | Confident | 32 Ų | 32 | 47.7 Ų | 47.7 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 143.1 | 175.7 | -74.9 | 167.5 | 0 | 0 | 0 | 111.1 | I2508 S2514 T2515 V2518 D2557 | I2508-L2511 HydrophobicContact CG1-CD1 4.48Å; I2508-L2511 HydrophobicContact CG2-CD1 4.38Å; I2508-L2511 PolarHBondContact O-N 3.35Å; L2511-S2514 PolarHBondContact N-OG 3.43Å; L2511-T2515 HydrophobicContact CD2-CG2 3.9Å; L2511-V2518 HydrophobicContact CD1-CG2 4.3Å; L2511-V2518 HydrophobicContact CD2-CB 4.46Å; L2511-V2518 HydrophobicContact CD2-CG2 3.98Å; L2511-V2518 HydrophobicContact CG-CG2 4.09Å; L2511-D2557 HydrophobicContact CB-CB 4.17Å; L2511-D2557 HydrophobicContact CD1-CB 4.16Å |
| 2512 | P | 77.8 | Confident | 86.4 | Confident | 79 Ų | 79 | 47.9 Ų | 47.9 | 51% | 0.513 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -85.6 | -8.2 | 9.6 | 33.3 | -35.9 | 0 | 0 | 0 | 115 | S2514 T2515 | P2512-S2514 PolarHBondContact O-N 3.15Å; P2512-T2515 PolarHBondContact O-N 2.87Å; P2512-T2515 PolarHBondContact O-OG1 2.88Å |
| 2513 | N | 81 | Confident | 86.3 | Confident | 157 Ų | 157 | 46.8 Ų | 46.8 | 84% | 0.84 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -28.5 | -170.6 | -63.7 | -17.9 | 0 | 0 | 0 | 113.5 | Q2510 | Q2510-N2513 WeakPolarHBondContact O-CB 3.42Å; Q2510-N2513 PolarHBondContact O-N 3.4Å; Q2510-N2513 VanDerWaalsContact O-N 3.07Å |
| 2514 | S | 83.7 | Confident | 86.2 | Confident | 7 Ų | 7 | 42.7 Ų | 42.7 | 5% | 0.049 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 16 | -177.6 | 59.1 | 0 | 0 | 0 | 0 | 114.2 | A2507 Q2510 L2511 P2512 L2516 L2517 V2518 | A2507-S2514 WeakPolarHBondContact O-CB 3.46Å; A2507-S2514 PolarHBondContact O-OG 2.88Å; Q2510-S2514 VanDerWaalsContact C-OG 3.25Å; Q2510-S2514 PolarHBondContact O-N 3.5Å; Q2510-S2514 PolarHBondContact O-OG 3.18Å; L2511-S2514 PolarHBondContact N-OG 3.43Å; P2512-S2514 PolarHBondContact O-N 3.15Å; S2514-L2516 VanDerWaalsContact C-N 3.35Å; S2514-L2516 PolarHBondContact O-N 2.87Å; S2514-L2517 WeakPolarHBondContact O-CA 3.41Å; S2514-L2517 WeakPolarHBondContact O-CB 3.28Å; S2514-L2517 PolarHBondContact O-N 3.48Å; S2514-V2518 WeakPolarHBondContact O-CG2 3.49Å; S2514-V2518 PolarHBondContact O-N 3.42Å |
| 2515 | T | 84.5 | Confident | 86.1 | Confident | 45 Ų | 45 | 42.7 Ų | 42.7 | 28% | 0.276 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -52.1 | -47.3 | -169.9 | 3.2 | 0 | 0 | 0 | 0 | 113.9 | L2511 P2512 V2518 R2519 E2559 | L2511-T2515 HydrophobicContact CD2-CG2 3.9Å; P2512-T2515 PolarHBondContact O-N 2.87Å; P2512-T2515 PolarHBondContact O-OG1 2.88Å; T2515-V2518 PolarHBondContact O-N 3.48Å; T2515-R2519 PolarHBondContact O-N 2.89Å; T2515-R2519 VanDerWaalsContact O-N 3.08Å; T2515-E2559 HydrophobicContact CG2-CB 3.74Å; T2515-E2559 HydrophobicContact CG2-CG 3.72Å |
| 2516 | L | 82.3 | Confident | 86.1 | Confident | 53 Ų | 53 | 45.5 Ų | 45.5 | 28% | 0.277 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.5 | -38.7 | 179 | -67.1 | 175.6 | 0 | 0 | 0 | 112.1 | Y2465 C2468 L2469 S2514 R2519 L2520 | Y2465-L2516 HydrophobicContact CD1-CB 4.07Å; Y2465-L2516 HydrophobicContact CD1-CD2 4.22Å; Y2465-L2516 HydrophobicContact CE1-CB 4.12Å; Y2465-L2516 HydrophobicContact CE1-CD2 3.77Å; C2468-L2516 HydrophobicContact CB-CD1 3.99Å; L2469-L2516 HydrophobicContact CD1-CB 3.96Å; L2469-L2516 HydrophobicContact CG-CB 4.46Å; S2514-L2516 VanDerWaalsContact C-N 3.35Å; S2514-L2516 PolarHBondContact O-N 2.87Å; L2516-R2519 PolarHBondContact O-N 3.27Å; L2516-L2520 WeakPolarHBondContact O-CB 3.43Å; L2516-L2520 PolarHBondContact O-N 3.43Å |
| 2517 | L | 85.6 | Confident | 86 | Confident | 24 Ų | 24 | 42.3 Ų | 42.3 | 13% | 0.126 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.6 | -45.5 | 178.4 | 176.4 | 63.5 | 0 | 0 | 0 | 110.9 | L2469 I2472 A2507 S2514 R2519 L2520 L2521 | L2469-L2517 HydrophobicContact CD1-CB 4.12Å; L2469-L2517 HydrophobicContact CD2-CB 4.29Å; I2472-L2517 HydrophobicContact CD1-CD1 3.44Å; I2472-L2517 VanDerWaalsContact CD1-CD1 3.44Å; A2507-L2517 HydrophobicContact CB-CD2 3.75Å; A2507-L2517 HydrophobicContact CB-CG 3.93Å; S2514-L2517 WeakPolarHBondContact O-CA 3.41Å; S2514-L2517 WeakPolarHBondContact O-CB 3.28Å; S2514-L2517 PolarHBondContact O-N 3.48Å; L2517-R2519 VanDerWaalsContact C-N 3.32Å; L2517-R2519 PolarHBondContact O-N 3.24Å; L2517-L2520 PolarHBondContact O-N 2.64Å; L2517-L2521 HydrophobicContact CD1-CD1 3.7Å; L2517-L2521 HydrophobicContact CD1-CG 3.99Å; L2517-L2521 HydrophobicContact CD2-CD1 4.39Å; L2517-L2521 HydrophobicContact CG-CD1 3.67Å; L2517-L2521 HydrophobicContact CG-CG 4.36Å; L2517-L2521 WeakPolarHBondContact O-CB 3.32Å; L2517-L2521 VanDerWaalsContact O-CG 3.28Å; L2517-L2521 WeakPolarHBondContact O-CG 3.37Å; L2517-L2521 PolarHBondContact O-N 3.35Å |
| 2518 | V | 87 | Confident | 86 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.6 | -45.8 | 175.9 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | A2507 I2508 L2511 S2514 T2515 L2520 L2521 T2522 A2563 | A2507-V2518 HydrophobicContact CB-CG2 3.68Å; I2508-V2518 HydrophobicContact CG1-CG1 3.93Å; I2508-V2518 HydrophobicContact CG1-CG2 4.05Å; L2511-V2518 HydrophobicContact CD1-CG2 4.3Å; L2511-V2518 HydrophobicContact CD2-CB 4.46Å; L2511-V2518 HydrophobicContact CD2-CG2 3.98Å; L2511-V2518 HydrophobicContact CG-CG2 4.09Å; S2514-V2518 WeakPolarHBondContact O-CG2 3.49Å; S2514-V2518 PolarHBondContact O-N 3.42Å; T2515-V2518 PolarHBondContact O-N 3.48Å; V2518-L2520 PolarHBondContact O-N 3.08Å; V2518-L2521 PolarHBondContact O-N 3.07Å; V2518-T2522 VanDerWaalsContact O-CB 3.29Å; V2518-T2522 WeakPolarHBondContact O-CB 3.27Å; V2518-T2522 PolarHBondContact O-N 3.14Å; V2518-T2522 PolarHBondContact O-OG1 2.85Å; V2518-A2563 HydrophobicContact CG1-CB 3.68Å |
| 2519 | R | 86.4 | Confident | 86 | Confident | 83 Ų | 83 | 42.1 Ų | 42.1 | 31% | 0.313 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.1 | -43.2 | 179.5 | -169.9 | 179.5 | -71.6 | 159.9 | 2.2 | 112.3 | Y2465 T2515 L2516 L2517 R2523 E2559 | Y2465-R2519 WeakPolarHBondContact OH-CD 3.28Å; T2515-R2519 PolarHBondContact O-N 2.89Å; T2515-R2519 VanDerWaalsContact O-N 3.08Å; L2516-R2519 PolarHBondContact O-N 3.27Å; L2517-R2519 VanDerWaalsContact C-N 3.32Å; L2517-R2519 PolarHBondContact O-N 3.24Å; R2519-R2523 WeakPolarHBondContact O-CG 3.14Å; R2519-R2523 PolarHBondContact O-N 3.11Å; R2519-E2559 IonicContact CZ-OE2 3.41Å; R2519-E2559 IonicContact NE-OE2 2.71Å; R2519-E2559 PolarHBondContact NE-OE2 2.95Å; R2519-E2559 IonicContact NH2-OE1 3.51Å; R2519-E2559 IonicContact NH2-OE2 2.77Å; R2519-E2559 PolarHBondContact NH2-OE2 2.98Å |
| 2520 | L | 85.7 | Confident | 85.9 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.6 | -48.3 | 178.1 | -169.9 | 119.2 | 0 | 0 | 0 | 111.5 | Y2465 I2472 L2479 I2483 L2516 L2517 V2518 T2522 R2523 A2524 | Y2465-L2520 HydrophobicContact CD1-CB 4.41Å; Y2465-L2520 HydrophobicContact CD1-CD1 3.99Å; Y2465-L2520 HydrophobicContact CD2-CD1 3.72Å; Y2465-L2520 HydrophobicContact CG-CD1 3.49Å; Y2465-L2520 VanDerWaalsContact CG-CD1 3.49Å; I2472-L2520 HydrophobicContact CD1-CD2 4.1Å; L2479-L2520 HydrophobicContact CB-CD2 3.44Å; L2479-L2520 VanDerWaalsContact CB-CD2 3.44Å; L2479-L2520 HydrophobicContact CB-CG 4.41Å; L2479-L2520 HydrophobicContact CD1-CD2 3.53Å; L2479-L2520 HydrophobicContact CG-CD2 4.13Å; I2483-L2520 HydrophobicContact CD1-CD1 4.28Å; I2483-L2520 HydrophobicContact CD1-CG 3.81Å; I2483-L2520 VanDerWaalsContact CD1-O 3.31Å; I2483-L2520 WeakPolarHBondContact CD1-O 3.24Å; L2516-L2520 WeakPolarHBondContact O-CB 3.43Å; L2516-L2520 PolarHBondContact O-N 3.43Å; L2517-L2520 PolarHBondContact O-N 2.64Å; V2518-L2520 PolarHBondContact O-N 3.08Å; L2520-T2522 VanDerWaalsContact C-N 3.34Å; L2520-T2522 PolarHBondContact O-N 3.23Å; L2520-R2523 PolarHBondContact O-N 3.17Å; L2520-A2524 PolarHBondContact O-N 3.09Å |
| 2521 | L | 90.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.1 | -38.4 | 177.2 | -71.6 | 169.4 | 0 | 0 | 0 | 112.5 | I2474 L2479 C2500 K2503 W2504 A2507 L2517 V2518 A2524 C2525 | I2474-L2521 HydrophobicContact CD1-CD2 3.43Å; I2474-L2521 VanDerWaalsContact CD1-CD2 3.43Å; L2479-L2521 HydrophobicContact CD1-CD2 3.5Å; L2479-L2521 VanDerWaalsContact CD1-CD2 3.5Å; L2479-L2521 HydrophobicContact CD1-CG 4.35Å; L2479-L2521 HydrophobicContact CD2-CD2 4.39Å; C2500-L2521 VanDerWaalsContact SG-CD2 3.53Å; K2503-L2521 HydrophobicContact CB-CD1 4.26Å; K2503-L2521 HydrophobicContact CB-CD2 4.43Å; K2503-L2521 HydrophobicContact CG-CD1 4.16Å; W2504-L2521 HydrophobicContact CB-CB 4.01Å; W2504-L2521 HydrophobicContact CB-CD1 4.24Å; W2504-L2521 HydrophobicContact CG-CB 4.22Å; A2507-L2521 HydrophobicContact CB-CD1 3.92Å; L2517-L2521 HydrophobicContact CD1-CD1 3.7Å; L2517-L2521 HydrophobicContact CD1-CG 3.99Å; L2517-L2521 HydrophobicContact CD2-CD1 4.39Å; L2517-L2521 HydrophobicContact CG-CD1 3.67Å; L2517-L2521 HydrophobicContact CG-CG 4.36Å; L2517-L2521 WeakPolarHBondContact O-CB 3.32Å; L2517-L2521 VanDerWaalsContact O-CG 3.28Å; L2517-L2521 WeakPolarHBondContact O-CG 3.37Å; L2517-L2521 PolarHBondContact O-N 3.35Å; V2518-L2521 PolarHBondContact O-N 3.07Å; L2521-A2524 PolarHBondContact O-N 3.35Å; L2521-C2525 WeakPolarHBondContact O-CB 3.24Å; L2521-C2525 PolarHBondContact O-N 3.01Å; L2521-C2525 PolarHBondContact O-SG 3.06Å |
| 2522 | T | 89.4 | Confident | 85.8 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 3% | 0.025 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.8 | -45.3 | 175.3 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | W2504 V2518 L2520 K2526 A2563 I2566 I2567 | W2504-T2522 PolarHBondContact NE1-OG1 3.26Å; V2518-T2522 VanDerWaalsContact O-CB 3.29Å; V2518-T2522 WeakPolarHBondContact O-CB 3.27Å; V2518-T2522 PolarHBondContact O-N 3.14Å; V2518-T2522 PolarHBondContact O-OG1 2.85Å; L2520-T2522 VanDerWaalsContact C-N 3.34Å; L2520-T2522 PolarHBondContact O-N 3.23Å; T2522-K2526 VanDerWaalsContact O-CB 3.32Å; T2522-K2526 WeakPolarHBondContact O-CB 3.44Å; T2522-K2526 PolarHBondContact O-N 3.43Å; T2522-A2563 HydrophobicContact CG2-CB 4.03Å; T2522-A2563 WeakPolarHBondContact OG1-CB 3.34Å; T2522-I2566 HydrophobicContact CG2-CB 3.89Å; T2522-I2566 HydrophobicContact CG2-CD1 3.88Å; T2522-I2566 HydrophobicContact CG2-CG2 3.88Å; T2522-I2567 HydrophobicContact CG2-CD1 4.27Å; T2522-I2567 HydrophobicContact CG2-CG1 4.27Å |
| 2523 | R | 88 | Confident | 86 | Confident | 84 Ų | 84 | 41.3 Ų | 41.3 | 32% | 0.317 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 175.8 | -75.5 | -178.5 | -179.9 | 178.7 | 5.8 | 110.9 | E2461 I2483 R2519 L2520 K2526 T2527 | E2461-R2523 VanDerWaalsContact CD-NH1 3.27Å; E2461-R2523 IonicContact OE1-CZ 2.68Å; E2461-R2523 IonicContact OE1-NH1 3.16Å; E2461-R2523 PolarHBondContact OE1-NH1 3.34Å; E2461-R2523 IonicContact OE1-NH2 2.64Å; E2461-R2523 PolarHBondContact OE1-NH2 2.95Å; E2461-R2523 IonicContact OE2-CZ 2.76Å; E2461-R2523 IonicContact OE2-NH1 3.52Å; E2461-R2523 PolarHBondContact OE2-NH1 2.59Å; E2461-R2523 IonicContact OE2-NH2 3.27Å; E2461-R2523 PolarHBondContact OE2-NH2 3.46Å; I2483-R2523 HydrophobicContact CD1-CB 3.8Å; I2483-R2523 HydrophobicContact CG1-CB 4.04Å; I2483-R2523 HydrophobicContact CG2-CB 4.21Å; R2519-R2523 WeakPolarHBondContact O-CG 3.14Å; R2519-R2523 PolarHBondContact O-N 3.11Å; L2520-R2523 PolarHBondContact O-N 3.17Å; R2523-K2526 PolarHBondContact O-N 3.39Å; R2523-T2527 WeakPolarHBondContact O-CB 3.43Å; R2523-T2527 PolarHBondContact O-N 3.25Å; R2523-T2527 PolarHBondContact O-OG1 2.52Å |
| 2524 | A | 87.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.2 | -50.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L2479 I2483 F2496 L2520 L2521 K2526 T2527 V2528 | L2479-A2524 HydrophobicContact CD2-CB 3.66Å; I2483-A2524 HydrophobicContact CD1-CB 4.23Å; I2483-A2524 HydrophobicContact CG1-CB 4.21Å; F2496-A2524 HydrophobicContact CZ-CB 4.42Å; L2520-A2524 PolarHBondContact O-N 3.09Å; L2521-A2524 PolarHBondContact O-N 3.35Å; A2524-K2526 VanDerWaalsContact C-N 3.34Å; A2524-K2526 PolarHBondContact O-N 3.37Å; A2524-T2527 PolarHBondContact O-N 3.19Å; A2524-V2528 WeakPolarHBondContact O-CG2 3.18Å; A2524-V2528 PolarHBondContact O-N 3.43Å |
| 2525 | C | 89.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.7 | -44.3 | 177 | -66.5 | 0 | 0 | 0 | 0 | 111.6 | C2500 M2501 L2521 T2527 V2528 L2529 I2567 | C2500-C2525 PolarHBondContact SG-SG 3.04Å; M2501-C2525 HydrophobicContact SD-CB 4.26Å; M2501-C2525 VanDerWaalsContact SD-SG 3.69Å; L2521-C2525 WeakPolarHBondContact O-CB 3.24Å; L2521-C2525 PolarHBondContact O-N 3.01Å; L2521-C2525 PolarHBondContact O-SG 3.06Å; C2525-T2527 PolarHBondContact O-N 3.46Å; C2525-V2528 PolarHBondContact O-N 3.12Å; C2525-L2529 VanDerWaalsContact O-CG 3.24Å; C2525-L2529 WeakPolarHBondContact O-CG 3.44Å; C2525-L2529 PolarHBondContact O-N 3.17Å; C2525-L2529 VanDerWaalsContact O-N 3.07Å; C2525-I2567 HydrophobicContact CB-CD1 3.48Å; C2525-I2567 VanDerWaalsContact CB-CD1 3.48Å |
| 2526 | K | 88.7 | Confident | 86.3 | Confident | 79 Ų | 79 | 35 Ų | 35 | 34% | 0.343 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.5 | -50.9 | 174.9 | -175.1 | -168.6 | 179 | 178.8 | 0 | 110.8 | T2522 R2523 A2524 V2528 L2529 T2530 I2566 Q2570 | T2522-K2526 VanDerWaalsContact O-CB 3.32Å; T2522-K2526 WeakPolarHBondContact O-CB 3.44Å; T2522-K2526 PolarHBondContact O-N 3.43Å; R2523-K2526 PolarHBondContact O-N 3.39Å; A2524-K2526 VanDerWaalsContact C-N 3.34Å; A2524-K2526 PolarHBondContact O-N 3.37Å; K2526-V2528 PolarHBondContact O-N 3.42Å; K2526-L2529 PolarHBondContact O-N 3.47Å; K2526-T2530 HydrophobicContact CG-CG2 4.39Å; K2526-T2530 WeakPolarHBondContact O-CG2 3.27Å; K2526-T2530 PolarHBondContact O-N 2.93Å; K2526-T2530 PolarHBondContact O-OG1 3.49Å; K2526-T2530 VanDerWaalsContact O-OG1 3.1Å; K2526-I2566 HydrophobicContact CB-CG2 3.98Å; K2526-I2566 HydrophobicContact CD-CG2 3.75Å; K2526-I2566 HydrophobicContact CG-CG2 3.98Å; K2526-Q2570 HydrophobicContact CG-CG 3.97Å |
| 2527 | T | 86.7 | Confident | 86.5 | Confident | 18 Ų | 18 | 35.8 Ų | 35.8 | 11% | 0.11 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.1 | -43.2 | -178.6 | -57 | 0 | 0 | 0 | 0 | 111.7 | Y2482 P2486 R2523 A2524 C2525 L2529 T2530 D2531 | Y2482-T2527 HydrophobicContact CD1-CG2 4.42Å; Y2482-T2527 HydrophobicContact CE1-CG2 3.75Å; P2486-T2527 HydrophobicContact CB-CG2 3.99Å; R2523-T2527 WeakPolarHBondContact O-CB 3.43Å; R2523-T2527 PolarHBondContact O-N 3.25Å; R2523-T2527 PolarHBondContact O-OG1 2.52Å; A2524-T2527 PolarHBondContact O-N 3.19Å; C2525-T2527 PolarHBondContact O-N 3.46Å; T2527-L2529 PolarHBondContact O-N 3.26Å; T2527-T2530 WeakPolarHBondContact CA-OG1 3.45Å; T2527-T2530 PolarHBondContact O-N 3.39Å; T2527-T2530 PolarHBondContact O-OG1 3.07Å; T2527-D2531 WeakPolarHBondContact O-CB 3.32Å; T2527-D2531 PolarHBondContact O-N 3.48Å |
| 2528 | V | 87.2 | Confident | 86.5 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60 | -47.8 | 176 | 174.8 | 0 | 0 | 0 | 0 | 111.8 | Y2482 L2490 F2496 L2497 A2524 C2525 K2526 T2530 D2531 R2532 L2535 | Y2482-V2528 HydrophobicContact CD1-CG2 4.27Å; Y2482-V2528 HydrophobicContact CE1-CB 4.33Å; Y2482-V2528 HydrophobicContact CE1-CG2 3.33Å; Y2482-V2528 VanDerWaalsContact OH-CA 3.27Å; Y2482-V2528 WeakPolarHBondContact OH-CA 3.38Å; Y2482-V2528 PolarHBondContact OH-N 3.48Å; L2490-V2528 HydrophobicContact CD1-CG2 4.27Å; F2496-V2528 HydrophobicContact CD1-CG2 3.52Å; F2496-V2528 HydrophobicContact CE1-CG2 3.25Å; F2496-V2528 HydrophobicContact CZ-CG2 4.49Å; L2497-V2528 HydrophobicContact CB-CG1 4.35Å; L2497-V2528 HydrophobicContact CD1-CG1 4.32Å; A2524-V2528 WeakPolarHBondContact O-CG2 3.18Å; A2524-V2528 PolarHBondContact O-N 3.43Å; C2525-V2528 PolarHBondContact O-N 3.12Å; K2526-V2528 PolarHBondContact O-N 3.42Å; V2528-T2530 VanDerWaalsContact C-N 3.31Å; V2528-T2530 PolarHBondContact O-N 2.85Å; V2528-D2531 PolarHBondContact O-N 3.35Å; V2528-R2532 PolarHBondContact O-N 2.91Å; V2528-L2535 HydrophobicContact CG1-CD1 3.5Å |
| 2529 | L | 87.1 | Confident | 86.6 | Confident | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.6 | -31.7 | -177 | -64.3 | 176.3 | 0 | 0 | 0 | 111.7 | L2497 C2525 K2526 T2527 R2532 P2533 L2535 T2536 L2539 Q2570 | L2497-L2529 HydrophobicContact CD1-CD2 4.04Å; L2497-L2529 HydrophobicContact CD1-CG 4.33Å; L2497-L2529 HydrophobicContact CD2-CD2 3.72Å; C2525-L2529 VanDerWaalsContact O-CG 3.24Å; C2525-L2529 WeakPolarHBondContact O-CG 3.44Å; C2525-L2529 PolarHBondContact O-N 3.17Å; C2525-L2529 VanDerWaalsContact O-N 3.07Å; K2526-L2529 PolarHBondContact O-N 3.47Å; T2527-L2529 PolarHBondContact O-N 3.26Å; L2529-R2532 CarbonylContact O-C 3.53Å; L2529-P2533 WeakPolarHBondContact O-CA 3.38Å; L2529-L2535 HydrophobicContact CD2-CB 4.23Å; L2529-T2536 HydrophobicContact CB-CG2 3.87Å; L2529-T2536 HydrophobicContact CD1-CG2 4.34Å; L2529-T2536 HydrophobicContact CD2-CG2 3.68Å; L2529-T2536 HydrophobicContact CG-CG2 4.14Å; L2529-L2539 HydrophobicContact CD1-CD1 4.14Å; L2529-L2539 HydrophobicContact CD2-CD1 4.07Å; L2529-Q2570 HydrophobicContact CB-CB 4.27Å; L2529-Q2570 HydrophobicContact CD1-CB 3.93Å |
| 2530 | T | 85.3 | Confident | 86.5 | Confident | 69 Ų | 69 | 33.6 Ų | 33.6 | 42% | 0.423 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -72.7 | -41.1 | 173.2 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | K2526 T2527 V2528 Q2570 | K2526-T2530 HydrophobicContact CG-CG2 4.39Å; K2526-T2530 WeakPolarHBondContact O-CG2 3.27Å; K2526-T2530 PolarHBondContact O-N 2.93Å; K2526-T2530 PolarHBondContact O-OG1 3.49Å; K2526-T2530 VanDerWaalsContact O-OG1 3.1Å; T2527-T2530 WeakPolarHBondContact CA-OG1 3.45Å; T2527-T2530 PolarHBondContact O-N 3.39Å; T2527-T2530 PolarHBondContact O-OG1 3.07Å; V2528-T2530 VanDerWaalsContact C-N 3.31Å; V2528-T2530 PolarHBondContact O-N 2.85Å; T2530-Q2570 VanDerWaalsContact CG2-OE1 3.32Å |
| 2531 | D | 82.9 | Confident | 86.5 | Confident | 41 Ų | 41 | 43.8 Ų | 43.8 | 22% | 0.219 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.4 | -35.8 | -178.8 | -70.2 | -10.4 | 0 | 0 | 0 | 111.6 | Y2482 G2487 T2527 V2528 | Y2482-D2531 PolarHBondContact OH-OD2 3.48Å; G2487-D2531 WeakPolarHBondContact CA-OD2 3.32Å; G2487-D2531 PolarHBondContact N-OD1 2.88Å; G2487-D2531 VanDerWaalsContact N-OD1 3.11Å; G2487-D2531 PolarHBondContact N-OD2 3.1Å; T2527-D2531 WeakPolarHBondContact O-CB 3.32Å; T2527-D2531 PolarHBondContact O-N 3.48Å; V2528-D2531 PolarHBondContact O-N 3.35Å |
| 2532 | R | 84.8 | Confident | 86.1 | Confident | 104 Ų | 104 | 45.9 Ų | 45.9 | 39% | 0.392 | 24% | 0.24 | S | C | . | . | trans | -130.3 | 78.8 | -178.3 | -65.9 | -64 | 177.5 | 171.1 | -2.8 | 109.9 | T2489 V2528 L2529 G2534 L2535 | T2489-R2532 VanDerWaalsContact CG2-NH2 3.25Å; V2528-R2532 PolarHBondContact O-N 2.91Å; L2529-R2532 CarbonylContact O-C 3.53Å; R2532-G2534 PolarHBondContact O-N 3.44Å; R2532-L2535 HydrophobicContact CB-CD1 3.56Å; R2532-L2535 HydrophobicContact CB-CG 3.94Å; R2532-L2535 HydrophobicContact CG-CD1 4.37Å; R2532-L2535 WeakPolarHBondContact O-CB 3.36Å; R2532-L2535 PolarHBondContact O-N 3.05Å | ||
| 2533 | P | 82.1 | Confident | 86 | Confident | 88 Ų | 88 | 47 Ų | 47 | 57% | 0.571 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -58.1 | -28.4 | -177.6 | 20.7 | -32.1 | 0 | 0 | 0 | 112.8 | L2529 L2535 T2536 | L2529-P2533 WeakPolarHBondContact O-CA 3.38Å; P2533-L2535 PolarHBondContact O-N 3.37Å; P2533-L2535 VanDerWaalsContact O-N 3.14Å; P2533-T2536 WeakPolarHBondContact O-CB 3.5Å; P2533-T2536 PolarHBondContact O-N 3.23Å; P2533-T2536 PolarHBondContact O-OG1 3.47Å |
| 2534 | G | 83.3 | Confident | 86 | Confident | 54 Ų | 54 | 43.2 Ų | 43.2 | 56% | 0.557 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -61.4 | -19 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R2532 T2536 D2537 | R2532-G2534 PolarHBondContact O-N 3.44Å; G2534-T2536 VanDerWaalsContact C-N 3.34Å; G2534-D2537 PolarHBondContact O-N 2.69Å |
| 2535 | L | 86.4 | Confident | 86 | Confident | 13 Ų | 13 | 43.2 Ų | 43.2 | 7% | 0.068 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -75.5 | -23.4 | 174.7 | -64.2 | 169 | 0 | 0 | 0 | 112.5 | P2493 E2494 L2497 V2528 L2529 R2532 P2533 D2537 S2538 L2539 | P2493-L2535 HydrophobicContact CB-CD1 3.78Å; P2493-L2535 HydrophobicContact CB-CD2 4.47Å; P2493-L2535 HydrophobicContact CG-CD1 4.48Å; P2493-L2535 HydrophobicContact CG-CD2 4.48Å; E2494-L2535 HydrophobicContact CG-CD2 3.58Å; L2497-L2535 HydrophobicContact CD2-CB 3.84Å; L2497-L2535 HydrophobicContact CD2-CD1 4.5Å; V2528-L2535 HydrophobicContact CG1-CD1 3.5Å; L2529-L2535 HydrophobicContact CD2-CB 4.23Å; R2532-L2535 HydrophobicContact CB-CD1 3.56Å; R2532-L2535 HydrophobicContact CB-CG 3.94Å; R2532-L2535 HydrophobicContact CG-CD1 4.37Å; R2532-L2535 WeakPolarHBondContact O-CB 3.36Å; R2532-L2535 PolarHBondContact O-N 3.05Å; P2533-L2535 PolarHBondContact O-N 3.37Å; P2533-L2535 VanDerWaalsContact O-N 3.14Å; L2535-D2537 PolarHBondContact O-N 2.86Å; L2535-S2538 PolarHBondContact O-N 2.61Å; L2535-S2538 VanDerWaalsContact O-N 3.12Å; L2535-S2538 PolarHBondContact O-OG 3.43Å; L2535-L2539 PolarHBondContact O-N 3.42Å |
| 2536 | T | 87.1 | Confident | 85.9 | Confident | 9 Ų | 9 | 48 Ų | 48 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -61.4 | -35.3 | 174 | 60.1 | 0 | 0 | 0 | 0 | 110.9 | L2529 P2533 G2534 S2538 L2539 S2574 C2577 | L2529-T2536 HydrophobicContact CB-CG2 3.87Å; L2529-T2536 HydrophobicContact CD1-CG2 4.34Å; L2529-T2536 HydrophobicContact CD2-CG2 3.68Å; L2529-T2536 HydrophobicContact CG-CG2 4.14Å; P2533-T2536 WeakPolarHBondContact O-CB 3.5Å; P2533-T2536 PolarHBondContact O-N 3.23Å; P2533-T2536 PolarHBondContact O-OG1 3.47Å; G2534-T2536 VanDerWaalsContact C-N 3.34Å; T2536-S2538 VanDerWaalsContact C-N 3.25Å; T2536-S2538 PolarHBondContact O-N 2.84Å; T2536-L2539 PolarHBondContact O-N 3.3Å; T2536-S2574 WeakPolarHBondContact OG1-CB 3.34Å; T2536-C2577 PolarHBondContact O-SG 3.14Å |
| 2537 | D | 86.2 | Confident | 85.9 | Confident | 70 Ų | 70 | 49.4 Ų | 49.4 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -68.3 | -20 | 177.2 | -74.9 | -13.8 | 0 | 0 | 0 | 113.5 | G2534 L2535 P2540 S2574 L2576 | G2534-D2537 PolarHBondContact O-N 2.69Å; L2535-D2537 PolarHBondContact O-N 2.86Å; D2537-P2540 WeakPolarHBondContact O-CD 3.43Å; D2537-S2574 VanDerWaalsContact OD1-CB 3.28Å; D2537-S2574 WeakPolarHBondContact OD1-CB 3.44Å; D2537-S2574 PolarHBondContact OD1-OG 3.15Å; D2537-L2576 HydrophobicContact CB-CD1 3.82Å |
| 2538 | S | 85.4 | Confident | 86 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -91.9 | -17 | 178.3 | 69.9 | 0 | 0 | 0 | 0 | 114 | L2535 T2536 R2541 S2542 | L2535-S2538 PolarHBondContact O-N 2.61Å; L2535-S2538 VanDerWaalsContact O-N 3.12Å; L2535-S2538 PolarHBondContact O-OG 3.43Å; T2536-S2538 VanDerWaalsContact C-N 3.25Å; T2536-S2538 PolarHBondContact O-N 2.84Å; S2538-R2541 WeakPolarHBondContact O-CB 3.31Å; S2538-R2541 PolarHBondContact O-N 2.93Å; S2538-S2542 PolarHBondContact O-N 3.32Å |
| 2539 | L | 88.5 | Confident | 86 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -36.6 | 178.2 | -70.5 | 174.8 | 0 | 0 | 0 | 115.3 | L2497 L2529 L2535 T2536 R2541 S2542 G2543 N2544 V2545 M2571 | L2497-L2539 HydrophobicContact CD1-CD2 4.49Å; L2497-L2539 HydrophobicContact CD2-CD2 3.76Å; L2497-L2539 HydrophobicContact CD2-CG 4.38Å; L2497-L2539 HydrophobicContact CG-CD2 4.11Å; L2529-L2539 HydrophobicContact CD1-CD1 4.14Å; L2529-L2539 HydrophobicContact CD2-CD1 4.07Å; L2535-L2539 PolarHBondContact O-N 3.42Å; T2536-L2539 PolarHBondContact O-N 3.3Å; L2539-R2541 VanDerWaalsContact C-N 3.3Å; L2539-R2541 PolarHBondContact O-N 3.21Å; L2539-S2542 PolarHBondContact O-OG 2.9Å; L2539-G2543 PolarHBondContact O-N 3.23Å; L2539-N2544 HydrophobicContact CD2-CB 3.93Å; L2539-N2544 PolarHBondContact O-N 2.87Å; L2539-V2545 HydrophobicContact CB-CG2 3.95Å; L2539-M2571 HydrophobicContact CD1-CG 3.9Å |
| 2540 | P | 84.7 | Confident | 85.9 | Confident | 37 Ų | 37 | 53.2 Ų | 53.2 | 24% | 0.24 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -37.9 | 174.4 | -20.4 | 30.6 | 0 | 0 | 0 | 112 | D2537 G2543 V2545 L2576 | D2537-P2540 WeakPolarHBondContact O-CD 3.43Å; P2540-G2543 PolarHBondContact O-N 3.06Å; P2540-V2545 HydrophobicContact CB-CG2 4.15Å; P2540-V2545 HydrophobicContact CG-CG2 3.88Å; P2540-L2576 HydrophobicContact CG-CB 4.23Å |
| 2541 | R | 85 | Confident | 86 | Confident | 219 Ų | 219 | 50 Ų | 50 | 83% | 0.826 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -33.8 | -178 | -62.9 | -176.4 | -174.8 | 162.7 | 3 | 112.6 | S2538 L2539 G2543 | S2538-R2541 WeakPolarHBondContact O-CB 3.31Å; S2538-R2541 PolarHBondContact O-N 2.93Å; L2539-R2541 VanDerWaalsContact C-N 3.3Å; L2539-R2541 PolarHBondContact O-N 3.21Å; R2541-G2543 PolarHBondContact O-N 2.82Å |
| 2542 | S | 83.5 | Confident | 86.1 | Confident | 43 Ų | 43 | 48.2 Ų | 48.2 | 30% | 0.301 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -5.4 | 174.5 | 61.9 | 0 | 0 | 0 | 0 | 113.5 | N2498 S2538 L2539 N2544 | N2498-S2542 WeakPolarHBondContact OD1-CB 3.26Å; N2498-S2542 PolarHBondContact OD1-OG 2.94Å; S2538-S2542 PolarHBondContact O-N 3.32Å; L2539-S2542 PolarHBondContact O-OG 2.9Å; S2542-N2544 PolarHBondContact O-N 2.92Å; S2542-N2544 PolarHBondContact OG-ND2 2.85Å |
| 2543 | G | 85.9 | Confident | 85.9 | Confident | 29 Ų | 29 | 46.6 Ų | 46.6 | 30% | 0.299 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 4.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L2539 P2540 R2541 V2545 H2546 R2547 | L2539-G2543 PolarHBondContact O-N 3.23Å; P2540-G2543 PolarHBondContact O-N 3.06Å; R2541-G2543 PolarHBondContact O-N 2.82Å; G2543-V2545 VanDerWaalsContact C-N 3.32Å; G2543-V2545 PolarHBondContact O-N 3.28Å; G2543-H2546 PolarHBondContact O-N 2.54Å; G2543-R2547 WeakPolarHBondContact O-CG 3.48Å; G2543-R2547 PolarHBondContact O-N 3.43Å |
| 2544 | N | 88.3 | Confident | 85.9 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.5 | -31.9 | -178 | -72.9 | -24.3 | 0 | 0 | 0 | 112.3 | N2498 M2501 L2539 S2542 R2547 V2548 | N2498-N2544 PolarHBondContact OD1-ND2 3.48Å; M2501-N2544 HydrophobicContact CE-CB 4.09Å; L2539-N2544 HydrophobicContact CD2-CB 3.93Å; L2539-N2544 PolarHBondContact O-N 2.87Å; S2542-N2544 PolarHBondContact O-N 2.92Å; S2542-N2544 PolarHBondContact OG-ND2 2.85Å; N2544-R2547 PolarHBondContact O-N 2.88Å; N2544-V2548 VanDerWaalsContact O-CG2 3.23Å; N2544-V2548 WeakPolarHBondContact O-CG2 3.5Å; N2544-V2548 PolarHBondContact O-N 3.11Å |
| 2545 | V | 87.6 | Confident | 86 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.2 | -53.1 | 177.1 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | L2539 P2540 G2543 R2547 V2548 L2549 M2571 M2581 | L2539-V2545 HydrophobicContact CB-CG2 3.95Å; P2540-V2545 HydrophobicContact CB-CG2 4.15Å; P2540-V2545 HydrophobicContact CG-CG2 3.88Å; G2543-V2545 VanDerWaalsContact C-N 3.32Å; G2543-V2545 PolarHBondContact O-N 3.28Å; V2545-R2547 VanDerWaalsContact C-N 3.3Å; V2545-R2547 PolarHBondContact O-N 3.45Å; V2545-V2548 PolarHBondContact O-N 3.3Å; V2545-V2548 VanDerWaalsContact O-N 3.17Å; V2545-L2549 HydrophobicContact CG1-CD1 4Å; V2545-L2549 HydrophobicContact CG1-CG 4.44Å; V2545-L2549 WeakPolarHBondContact O-CG 3.42Å; V2545-L2549 PolarHBondContact O-N 3.44Å; V2545-M2571 HydrophobicContact CB-CE 3.71Å; V2545-M2571 HydrophobicContact CG1-CE 3.65Å; V2545-M2571 HydrophobicContact CG2-CE 3.46Å; V2545-M2571 VanDerWaalsContact CG2-CE 3.46Å; V2545-M2581 HydrophobicContact CG1-CG 4.17Å |
| 2546 | H | 87.7 | Confident | 85.7 | Confident | 99 Ų | 99 | 49.9 Ų | 49.9 | 46% | 0.458 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59 | -42.9 | 179.5 | -172.6 | -78.9 | 0 | 0 | 0 | 111.5 | G2543 V2548 L2549 E2550 | G2543-H2546 PolarHBondContact O-N 2.54Å; H2546-V2548 PolarHBondContact O-N 3.39Å; H2546-L2549 PolarHBondContact O-N 3.28Å; H2546-E2550 IonicContact CE1-OE1 2.76Å; H2546-E2550 PolarHBondContact CE1-OE1 2.89Å; H2546-E2550 IonicContact ND1-OE1 3.41Å; H2546-E2550 PolarHBondContact ND1-OE1 3.48Å; H2546-E2550 PolarHBondContact O-N 3.31Å |
| 2547 | R | 89 | Confident | 85.6 | Confident | 109 Ų | 109 | 51.3 Ų | 51.3 | 41% | 0.411 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 177.8 | -70.1 | 172.9 | 161.6 | -161.9 | -5 | 112.6 | I2505 G2543 N2544 V2545 L2551 | I2505-R2547 HydrophobicContact CD1-CB 3.58Å; I2505-R2547 HydrophobicContact CD1-CG 4.26Å; G2543-R2547 WeakPolarHBondContact O-CG 3.48Å; G2543-R2547 PolarHBondContact O-N 3.43Å; N2544-R2547 PolarHBondContact O-N 2.88Å; V2545-R2547 VanDerWaalsContact C-N 3.3Å; V2545-R2547 PolarHBondContact O-N 3.45Å; R2547-L2551 PolarHBondContact O-N 3.07Å |
| 2548 | V | 88 | Confident | 85.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 174.7 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | M2501 W2504 N2544 V2545 H2546 E2550 L2551 L2552 I2564 I2567 L2568 M2571 | M2501-V2548 HydrophobicContact CE-CG2 3.49Å; M2501-V2548 VanDerWaalsContact CE-CG2 3.49Å; W2504-V2548 HydrophobicContact CH2-CG1 4.39Å; W2504-V2548 HydrophobicContact CH2-CG2 4.39Å; W2504-V2548 HydrophobicContact CZ3-CG2 3.83Å; N2544-V2548 VanDerWaalsContact O-CG2 3.23Å; N2544-V2548 WeakPolarHBondContact O-CG2 3.5Å; N2544-V2548 PolarHBondContact O-N 3.11Å; V2545-V2548 PolarHBondContact O-N 3.3Å; V2545-V2548 VanDerWaalsContact O-N 3.17Å; H2546-V2548 PolarHBondContact O-N 3.39Å; V2548-E2550 VanDerWaalsContact C-N 3.33Å; V2548-E2550 PolarHBondContact O-N 3.25Å; V2548-L2551 WeakPolarHBondContact O-CB 3.42Å; V2548-L2551 PolarHBondContact O-N 3.05Å; V2548-L2551 VanDerWaalsContact O-N 3.12Å; V2548-L2552 PolarHBondContact O-N 3.43Å; V2548-I2564 HydrophobicContact CG1-CG2 4.37Å; V2548-I2567 HydrophobicContact CG2-CG2 4.41Å; V2548-L2568 HydrophobicContact CG1-CD2 4.04Å; V2548-L2568 HydrophobicContact CG1-CG 4.25Å; V2548-M2571 HydrophobicContact CB-SD 4.5Å; V2548-M2571 HydrophobicContact CG1-SD 4.3Å; V2548-M2571 HydrophobicContact CG2-SD 4.33Å |
| 2549 | L | 86.7 | Confident | 85.3 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.6 | -35.5 | 179.2 | -65 | 175.8 | 0 | 0 | 0 | 112.2 | V2545 H2546 L2551 L2552 L2568 M2581 T2586 | V2545-L2549 HydrophobicContact CG1-CD1 4Å; V2545-L2549 HydrophobicContact CG1-CG 4.44Å; V2545-L2549 WeakPolarHBondContact O-CG 3.42Å; V2545-L2549 PolarHBondContact O-N 3.44Å; H2546-L2549 PolarHBondContact O-N 3.28Å; L2549-L2551 VanDerWaalsContact C-N 3.25Å; L2549-L2551 PolarHBondContact O-N 3.08Å; L2549-L2552 HydrophobicContact CB-CD1 4.39Å; L2549-L2552 HydrophobicContact CD2-CD1 3.52Å; L2549-L2552 VanDerWaalsContact O-CB 3.24Å; L2549-L2552 WeakPolarHBondContact O-CB 3.03Å; L2549-L2552 PolarHBondContact O-N 3.46Å; L2549-L2552 VanDerWaalsContact O-N 3.09Å; L2549-L2568 HydrophobicContact CD2-CD2 4.22Å; L2549-M2581 HydrophobicContact CD1-CB 4.48Å; L2549-M2581 HydrophobicContact CD1-CG 4.14Å; L2549-M2581 HydrophobicContact CD2-CG 4.17Å; L2549-T2586 HydrophobicContact CD2-CG2 3.78Å |
| 2550 | E | 86.3 | Confident | 85.2 | Confident | 87 Ų | 87 | 50.9 Ų | 50.9 | 41% | 0.407 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.2 | -33.4 | 172.2 | -76.3 | -177.7 | -143.6 | 0 | 0 | 113.1 | H2546 V2548 L2552 A2553 K2554 | H2546-E2550 IonicContact CE1-OE1 2.76Å; H2546-E2550 PolarHBondContact CE1-OE1 2.89Å; H2546-E2550 IonicContact ND1-OE1 3.41Å; H2546-E2550 PolarHBondContact ND1-OE1 3.48Å; H2546-E2550 PolarHBondContact O-N 3.31Å; V2548-E2550 VanDerWaalsContact C-N 3.33Å; V2548-E2550 PolarHBondContact O-N 3.25Å; E2550-L2552 PolarHBondContact O-N 3.18Å; E2550-A2553 PolarHBondContact O-N 3.41Å; E2550-K2554 IonicContact OE2-NZ 3.99Å |
| 2551 | L | 87 | Confident | 85.3 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.4 | -26.4 | 176.8 | -65.2 | 174.1 | 0 | 0 | 0 | 111.7 | W2504 I2505 I2508 R2547 V2548 L2549 A2553 K2554 V2555 I2564 | W2504-L2551 HydrophobicContact CE3-CD1 4.47Å; W2504-L2551 HydrophobicContact CH2-CD1 4.23Å; W2504-L2551 HydrophobicContact CZ3-CD1 3.78Å; I2505-L2551 HydrophobicContact CG1-CD1 4.2Å; I2508-L2551 HydrophobicContact CB-CD1 4.37Å; I2508-L2551 HydrophobicContact CD1-CD1 3.83Å; I2508-L2551 HydrophobicContact CG2-CD1 4.11Å; I2508-L2551 HydrophobicContact CG2-CD2 3.83Å; I2508-L2551 HydrophobicContact CG2-CG 4.48Å; R2547-L2551 PolarHBondContact O-N 3.07Å; V2548-L2551 WeakPolarHBondContact O-CB 3.42Å; V2548-L2551 PolarHBondContact O-N 3.05Å; V2548-L2551 VanDerWaalsContact O-N 3.12Å; L2549-L2551 VanDerWaalsContact C-N 3.25Å; L2549-L2551 PolarHBondContact O-N 3.08Å; L2551-A2553 PolarHBondContact O-N 2.66Å; L2551-K2554 PolarHBondContact O-N 3.23Å; L2551-K2554 VanDerWaalsContact O-N 3.08Å; L2551-V2555 HydrophobicContact CB-CG2 4.17Å; L2551-V2555 HydrophobicContact CD2-CG2 4.41Å; L2551-V2555 WeakPolarHBondContact O-CG2 3.48Å; L2551-V2555 PolarHBondContact O-N 3.2Å; L2551-I2564 HydrophobicContact CB-CD1 3.77Å; L2551-I2564 HydrophobicContact CB-CG1 4.49Å |
| 2552 | L | 84.3 | Confident | 85.4 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.3 | -37.6 | 177.1 | -66.5 | 165.1 | 0 | 0 | 0 | 112.5 | V2548 L2549 E2550 I2564 L2568 T2586 R2592 I2593 | V2548-L2552 PolarHBondContact O-N 3.43Å; L2549-L2552 HydrophobicContact CB-CD1 4.39Å; L2549-L2552 HydrophobicContact CD2-CD1 3.52Å; L2549-L2552 VanDerWaalsContact O-CB 3.24Å; L2549-L2552 WeakPolarHBondContact O-CB 3.03Å; L2549-L2552 PolarHBondContact O-N 3.46Å; L2549-L2552 VanDerWaalsContact O-N 3.09Å; E2550-L2552 PolarHBondContact O-N 3.18Å; L2552-I2564 HydrophobicContact CD2-CG2 3.83Å; L2552-I2564 HydrophobicContact CG-CG2 4.48Å; L2552-L2568 HydrophobicContact CD2-CD1 3.51Å; L2552-L2568 HydrophobicContact CG-CD1 4.39Å; L2552-T2586 HydrophobicContact CD1-CG2 4.35Å; L2552-R2592 PolarHBondContact O-NH1 3.39Å; L2552-R2592 VanDerWaalsContact O-NH1 3.14Å; L2552-I2593 HydrophobicContact CB-CD1 4.1Å; L2552-I2593 HydrophobicContact CD2-CB 4.45Å; L2552-I2593 HydrophobicContact CD2-CD1 3.41Å; L2552-I2593 VanDerWaalsContact CD2-CD1 3.41Å; L2552-I2593 HydrophobicContact CD2-CG1 4.43Å; L2552-I2593 HydrophobicContact CG-CD1 4.19Å |
| 2553 | A | 80.5 | Confident | 85.6 | Confident | 69 Ų | 69 | 38.4 Ų | 38.4 | 57% | 0.57 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -77.7 | -20.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | E2550 L2551 R2592 | E2550-A2553 PolarHBondContact O-N 3.41Å; L2551-A2553 PolarHBondContact O-N 2.66Å; A2553-R2592 VanDerWaalsContact C-NH1 3.25Å; A2553-R2592 PolarHBondContact O-NH1 2.9Å; A2553-R2592 VanDerWaalsContact O-NH1 3.09Å; A2553-R2592 PolarHBondContact O-NH2 2.89Å |
| 2554 | K | 83.6 | Confident | 85.7 | Confident | 122 Ų | 122 | 37 Ų | 37 | 53% | 0.53 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -110.7 | -27.2 | -167.2 | -66.2 | 175.3 | -176.8 | 165.2 | 0 | 114.6 | E2550 L2551 | E2550-K2554 IonicContact OE2-NZ 3.99Å; L2551-K2554 PolarHBondContact O-N 3.23Å; L2551-K2554 VanDerWaalsContact O-N 3.08Å |
| 2555 | V | 84.7 | Confident | 85.8 | Confident | 11 Ų | 11 | 37.2 Ų | 37.2 | 7% | 0.067 | 19% | 0.189 | C | C | . | . | trans | -83.1 | 125.1 | -170.1 | 175.2 | 0 | 0 | 0 | 0 | 112.7 | I2508 L2551 I2564 R2592 R2596 | I2508-V2555 HydrophobicContact CG2-CG2 3.45Å; I2508-V2555 VanDerWaalsContact CG2-CG2 3.45Å; L2551-V2555 HydrophobicContact CB-CG2 4.17Å; L2551-V2555 HydrophobicContact CD2-CG2 4.41Å; L2551-V2555 WeakPolarHBondContact O-CG2 3.48Å; L2551-V2555 PolarHBondContact O-N 3.2Å; V2555-I2564 HydrophobicContact CB-CD1 3.91Å; V2555-I2564 HydrophobicContact CG1-CD1 4.2Å; V2555-I2564 HydrophobicContact CG2-CD1 3.73Å; V2555-R2592 PolarHBondContact O-NH1 3.48Å; V2555-R2596 PolarHBondContact O-NH1 2.97Å | ||
| 2556 | D | 80.6 | Confident | 85.8 | Confident | 91 Ų | 91 | 38.4 Ų | 38.4 | 49% | 0.487 | 20% | 0.195 | S | C | . | . | trans | -110.1 | -22.2 | 178.8 | -70.9 | 30.4 | 0 | 0 | 0 | 113.2 | R2592 R2596 | D2556-R2592 IonicContact OD1-CZ 3.04Å; D2556-R2592 IonicContact OD1-NH1 3.07Å; D2556-R2592 IonicContact OD1-NH2 2.85Å; D2556-R2592 PolarHBondContact OD1-NH2 2.97Å; D2556-R2592 IonicContact OD2-NH2 3.15Å; D2556-R2596 IonicContact OD1-CZ 3.55Å; D2556-R2596 IonicContact OD1-NH1 3.42Å; D2556-R2596 PolarHBondContact OD1-NH1 3Å; D2556-R2596 IonicContact OD1-NH2 3.31Å; D2556-R2596 PolarHBondContact OD1-NH2 3.45Å; D2556-R2596 IonicContact OD2-CZ 3.17Å; D2556-R2596 IonicContact OD2-NH1 3.73Å; D2556-R2596 PolarHBondContact OD2-NH1 3.16Å; D2556-R2596 IonicContact OD2-NH2 2.67Å; D2556-R2596 PolarHBondContact OD2-NH2 3.03Å | ||
| 2557 | D | 85.1 | Confident | 85.9 | Confident | 39 Ų | 39 | 33.7 Ų | 33.7 | 21% | 0.209 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -71.7 | 135 | -178.8 | -177.4 | 85.3 | 0 | 0 | 0 | 111.8 | L2511 E2559 G2560 A2561 | L2511-D2557 HydrophobicContact CB-CB 4.17Å; L2511-D2557 HydrophobicContact CD1-CB 4.16Å; D2557-E2559 VanDerWaalsContact C-N 3.31Å; D2557-E2559 PolarHBondContact O-N 3.22Å; D2557-E2559 WeakPolarHBondContact OD2-CA 3.5Å; D2557-E2559 WeakPolarHBondContact OD2-CB 3.21Å; D2557-E2559 PolarHBondContact OD2-N 3.39Å; D2557-G2560 PolarHBondContact O-N 3.14Å; D2557-G2560 PolarHBondContact OD2-N 3.34Å; D2557-G2560 VanDerWaalsContact OD2-N 3.11Å; D2557-A2561 PolarHBondContact O-N 3.15Å |
| 2558 | P | 82.8 | Confident | 85.9 | Confident | 51 Ų | 51 | 28.8 Ų | 28.8 | 33% | 0.331 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65.5 | -29.5 | -176.9 | 25.9 | -35.2 | 0 | 0 | 0 | 113.6 | K2562 R2596 I2598 | P2558-K2562 WeakPolarHBondContact O-CG 3.4Å; P2558-K2562 PolarHBondContact O-N 3.48Å; P2558-K2562 VanDerWaalsContact O-N 3.13Å; P2558-R2596 WeakPolarHBondContact CA-O 3.46Å; P2558-I2598 HydrophobicContact CB-CD1 4.35Å |
| 2559 | E | 82.5 | Confident | 86 | Confident | 37 Ų | 37 | 30 Ų | 30 | 17% | 0.173 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -77.3 | -37.8 | 176.2 | -69.7 | -71.3 | 133.9 | 0 | 0 | 111.1 | T2515 R2519 D2557 A2561 K2562 A2563 | T2515-E2559 HydrophobicContact CG2-CB 3.74Å; T2515-E2559 HydrophobicContact CG2-CG 3.72Å; R2519-E2559 IonicContact CZ-OE2 3.41Å; R2519-E2559 IonicContact NE-OE2 2.71Å; R2519-E2559 PolarHBondContact NE-OE2 2.95Å; R2519-E2559 IonicContact NH2-OE1 3.51Å; R2519-E2559 IonicContact NH2-OE2 2.77Å; R2519-E2559 PolarHBondContact NH2-OE2 2.98Å; D2557-E2559 VanDerWaalsContact C-N 3.31Å; D2557-E2559 PolarHBondContact O-N 3.22Å; D2557-E2559 WeakPolarHBondContact OD2-CA 3.5Å; D2557-E2559 WeakPolarHBondContact OD2-CB 3.21Å; D2557-E2559 PolarHBondContact OD2-N 3.39Å; E2559-A2561 VanDerWaalsContact C-N 3.29Å; E2559-A2561 PolarHBondContact O-N 3.49Å; E2559-K2562 PolarHBondContact O-N 3.06Å; E2559-K2562 WeakPolarHBondContact OE1-CD 3.46Å; E2559-K2562 WeakPolarHBondContact OE1-CE 3.48Å; E2559-K2562 IonicContact OE1-NZ 3.78Å; E2559-K2562 PolarHBondContact OE1-NZ 3.18Å; E2559-A2563 WeakPolarHBondContact O-CB 3.45Å; E2559-A2563 PolarHBondContact O-N 3.26Å |
| 2560 | G | 86 | Confident | 86.1 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.2 | -42.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D2557 A2563 I2564 | D2557-G2560 PolarHBondContact O-N 3.14Å; D2557-G2560 PolarHBondContact OD2-N 3.34Å; D2557-G2560 VanDerWaalsContact OD2-N 3.11Å; G2560-A2563 PolarHBondContact O-N 2.79Å; G2560-I2564 WeakPolarHBondContact O-CG1 3.41Å; G2560-I2564 PolarHBondContact O-N 2.77Å |
| 2561 | A | 85.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.4 | -46.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D2557 E2559 A2563 I2564 V2565 I2593 R2596 C2597 | D2557-A2561 PolarHBondContact O-N 3.15Å; E2559-A2561 VanDerWaalsContact C-N 3.29Å; E2559-A2561 PolarHBondContact O-N 3.49Å; A2561-A2563 PolarHBondContact O-N 3.42Å; A2561-I2564 PolarHBondContact O-N 3.32Å; A2561-V2565 VanDerWaalsContact O-CG2 3.31Å; A2561-V2565 WeakPolarHBondContact O-CG2 3.09Å; A2561-V2565 PolarHBondContact O-N 3.28Å; A2561-I2593 HydrophobicContact CB-CG1 4.46Å; A2561-I2593 HydrophobicContact CB-CG2 4.15Å; A2561-R2596 HydrophobicContact CB-CB 4.08Å; A2561-C2597 HydrophobicContact CB-CB 4.25Å |
| 2562 | K | 86.8 | Confident | 86.2 | Confident | 35 Ų | 35 | 26.4 Ų | 26.4 | 15% | 0.152 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.4 | -46.8 | 174.7 | -71 | 171.9 | -175.1 | -179.3 | 0 | 112.5 | P2558 E2559 I2564 V2565 I2566 I2598 E2601 | P2558-K2562 WeakPolarHBondContact O-CG 3.4Å; P2558-K2562 PolarHBondContact O-N 3.48Å; P2558-K2562 VanDerWaalsContact O-N 3.13Å; E2559-K2562 PolarHBondContact O-N 3.06Å; E2559-K2562 WeakPolarHBondContact OE1-CD 3.46Å; E2559-K2562 WeakPolarHBondContact OE1-CE 3.48Å; E2559-K2562 IonicContact OE1-NZ 3.78Å; E2559-K2562 PolarHBondContact OE1-NZ 3.18Å; K2562-I2564 VanDerWaalsContact C-N 3.32Å; K2562-I2564 PolarHBondContact O-N 2.8Å; K2562-V2565 PolarHBondContact O-N 3.32Å; K2562-I2566 WeakPolarHBondContact O-CG1 3.32Å; K2562-I2566 PolarHBondContact O-N 2.95Å; K2562-I2598 WeakPolarHBondContact CE-O 3.33Å; K2562-I2598 PolarHBondContact NZ-O 3.41Å; K2562-E2601 HydrophobicContact CB-CG 4.26Å; K2562-E2601 HydrophobicContact CG-CG 4.37Å |
| 2563 | A | 87.9 | Confident | 86.3 | Confident | 3 Ų | 3 | 30 Ų | 30 | 3% | 0.025 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.9 | -47.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | W2504 V2518 T2522 E2559 G2560 A2561 I2566 I2567 | W2504-A2563 HydrophobicContact CZ2-CB 4.06Å; V2518-A2563 HydrophobicContact CG1-CB 3.68Å; T2522-A2563 HydrophobicContact CG2-CB 4.03Å; T2522-A2563 WeakPolarHBondContact OG1-CB 3.34Å; E2559-A2563 WeakPolarHBondContact O-CB 3.45Å; E2559-A2563 PolarHBondContact O-N 3.26Å; G2560-A2563 PolarHBondContact O-N 2.79Å; A2561-A2563 PolarHBondContact O-N 3.42Å; A2563-I2566 PolarHBondContact O-N 2.72Å; A2563-I2567 WeakPolarHBondContact O-CG1 3.46Å; A2563-I2567 PolarHBondContact O-N 3.38Å; A2563-I2567 VanDerWaalsContact O-N 3.14Å |
| 2564 | I | 89.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.8 | -41.6 | 178.9 | -65.4 | 165.1 | 0 | 0 | 0 | 111.2 | W2504 I2508 V2548 L2551 L2552 V2555 G2560 A2561 K2562 I2566 I2567 L2568 I2593 | W2504-I2564 HydrophobicContact CH2-CG1 3.93Å; W2504-I2564 HydrophobicContact CZ2-CG1 4.23Å; I2508-I2564 HydrophobicContact CD1-CG1 4.17Å; V2548-I2564 HydrophobicContact CG1-CG2 4.37Å; L2551-I2564 HydrophobicContact CB-CD1 3.77Å; L2551-I2564 HydrophobicContact CB-CG1 4.49Å; L2552-I2564 HydrophobicContact CD2-CG2 3.83Å; L2552-I2564 HydrophobicContact CG-CG2 4.48Å; V2555-I2564 HydrophobicContact CB-CD1 3.91Å; V2555-I2564 HydrophobicContact CG1-CD1 4.2Å; V2555-I2564 HydrophobicContact CG2-CD1 3.73Å; G2560-I2564 WeakPolarHBondContact O-CG1 3.41Å; G2560-I2564 PolarHBondContact O-N 2.77Å; A2561-I2564 PolarHBondContact O-N 3.32Å; K2562-I2564 VanDerWaalsContact C-N 3.32Å; K2562-I2564 PolarHBondContact O-N 2.8Å; I2564-I2566 VanDerWaalsContact C-N 3.33Å; I2564-I2566 PolarHBondContact O-N 3.35Å; I2564-I2567 PolarHBondContact O-N 2.93Å; I2564-L2568 HydrophobicContact CG2-CD1 3.53Å; I2564-L2568 HydrophobicContact CG2-CG 4.01Å; I2564-L2568 VanDerWaalsContact O-CB 3.32Å; I2564-L2568 WeakPolarHBondContact O-CB 3.41Å; I2564-L2568 VanDerWaalsContact O-CG 3.3Å; I2564-L2568 WeakPolarHBondContact O-CG 3.32Å; I2564-L2568 PolarHBondContact O-N 3.24Å; I2564-I2593 HydrophobicContact CB-CD1 4.06Å; I2564-I2593 HydrophobicContact CD1-CD1 3.6Å; I2564-I2593 HydrophobicContact CG1-CD1 4.44Å; I2564-I2593 HydrophobicContact CG2-CD1 3.77Å |
| 2565 | V | 88.7 | Confident | 86.7 | Confident | 7 Ų | 7 | 28 Ų | 28 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59 | -43.9 | 176.4 | 170 | 0 | 0 | 0 | 0 | 111.4 | A2561 K2562 H2569 I2593 C2597 L2604 I2605 | A2561-V2565 VanDerWaalsContact O-CG2 3.31Å; A2561-V2565 WeakPolarHBondContact O-CG2 3.09Å; A2561-V2565 PolarHBondContact O-N 3.28Å; K2562-V2565 PolarHBondContact O-N 3.32Å; V2565-H2569 VanDerWaalsContact O-CB 3.26Å; V2565-H2569 WeakPolarHBondContact O-CB 3.22Å; V2565-H2569 PolarHBondContact O-N 3.47Å; V2565-I2593 HydrophobicContact CG2-CG2 3.53Å; V2565-C2597 HydrophobicContact CG2-CB 4.39Å; V2565-L2604 HydrophobicContact CG1-CB 4.41Å; V2565-I2605 HydrophobicContact CG1-CG1 3.98Å |
| 2566 | I | 88.6 | Confident | 86.8 | Confident | 25 Ų | 25 | 30.9 Ų | 30.9 | 13% | 0.128 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.6 | -46.9 | 178.6 | -69.4 | 164.1 | 0 | 0 | 0 | 111.2 | T2522 K2526 K2562 A2563 I2564 H2569 Q2570 E2601 L2604 | T2522-I2566 HydrophobicContact CG2-CB 3.89Å; T2522-I2566 HydrophobicContact CG2-CD1 3.88Å; T2522-I2566 HydrophobicContact CG2-CG2 3.88Å; K2526-I2566 HydrophobicContact CB-CG2 3.98Å; K2526-I2566 HydrophobicContact CD-CG2 3.75Å; K2526-I2566 HydrophobicContact CG-CG2 3.98Å; K2562-I2566 WeakPolarHBondContact O-CG1 3.32Å; K2562-I2566 PolarHBondContact O-N 2.95Å; A2563-I2566 PolarHBondContact O-N 2.72Å; I2564-I2566 VanDerWaalsContact C-N 3.33Å; I2564-I2566 PolarHBondContact O-N 3.35Å; I2566-H2569 WeakPolarHBondContact O-CB 3.3Å; I2566-H2569 PolarHBondContact O-N 3.02Å; I2566-Q2570 PolarHBondContact O-N 2.92Å; I2566-E2601 HydrophobicContact CD1-CG 3.69Å; I2566-E2601 HydrophobicContact CG1-CB 4.37Å; I2566-E2601 HydrophobicContact CG1-CG 3.83Å; I2566-L2604 HydrophobicContact CG1-CD1 4.12Å |
| 2567 | I | 90.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -69.6 | -43.1 | -178 | -61.8 | -57.2 | 0 | 0 | 0 | 111 | M2501 W2504 T2522 C2525 V2548 A2563 I2564 H2569 Q2570 M2571 | M2501-I2567 HydrophobicContact CE-CG2 4.22Å; W2504-I2567 HydrophobicContact CH2-CB 4.27Å; W2504-I2567 HydrophobicContact CH2-CG1 4.07Å; W2504-I2567 HydrophobicContact CZ2-CB 4.28Å; W2504-I2567 HydrophobicContact CZ2-CG1 3.63Å; T2522-I2567 HydrophobicContact CG2-CD1 4.27Å; T2522-I2567 HydrophobicContact CG2-CG1 4.27Å; C2525-I2567 HydrophobicContact CB-CD1 3.48Å; C2525-I2567 VanDerWaalsContact CB-CD1 3.48Å; V2548-I2567 HydrophobicContact CG2-CG2 4.41Å; A2563-I2567 WeakPolarHBondContact O-CG1 3.46Å; A2563-I2567 PolarHBondContact O-N 3.38Å; A2563-I2567 VanDerWaalsContact O-N 3.14Å; I2564-I2567 PolarHBondContact O-N 2.93Å; I2567-H2569 VanDerWaalsContact C-N 3.27Å; I2567-H2569 PolarHBondContact O-N 3.15Å; I2567-Q2570 PolarHBondContact O-N 3.36Å; I2567-Q2570 VanDerWaalsContact O-N 3.15Å; I2567-M2571 HydrophobicContact CG2-CG 4.35Å; I2567-M2571 HydrophobicContact CG2-SD 3.78Å; I2567-M2571 VanDerWaalsContact O-CG 3.27Å; I2567-M2571 WeakPolarHBondContact O-CG 3.32Å; I2567-M2571 PolarHBondContact O-N 3.42Å |
| 2568 | L | 88.7 | Confident | 87.2 | Confident | 6 Ų | 6 | 24.7 Ų | 24.7 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.2 | -38.6 | 174.7 | -76 | 172.6 | 0 | 0 | 0 | 112.3 | V2548 L2549 L2552 I2564 M2571 S2572 M2581 | V2548-L2568 HydrophobicContact CG1-CD2 4.04Å; V2548-L2568 HydrophobicContact CG1-CG 4.25Å; L2549-L2568 HydrophobicContact CD2-CD2 4.22Å; L2552-L2568 HydrophobicContact CD2-CD1 3.51Å; L2552-L2568 HydrophobicContact CG-CD1 4.39Å; I2564-L2568 HydrophobicContact CG2-CD1 3.53Å; I2564-L2568 HydrophobicContact CG2-CG 4.01Å; I2564-L2568 VanDerWaalsContact O-CB 3.32Å; I2564-L2568 WeakPolarHBondContact O-CB 3.41Å; I2564-L2568 VanDerWaalsContact O-CG 3.3Å; I2564-L2568 WeakPolarHBondContact O-CG 3.32Å; I2564-L2568 PolarHBondContact O-N 3.24Å; L2568-M2571 HydrophobicContact CD2-SD 4.33Å; L2568-M2571 PolarHBondContact O-N 3.48Å; L2568-S2572 WeakPolarHBondContact O-CB 3.45Å; L2568-S2572 PolarHBondContact O-N 2.99Å; L2568-M2581 HydrophobicContact CD2-CE 3.43Å; L2568-M2581 VanDerWaalsContact CD2-CE 3.43Å; L2568-M2581 HydrophobicContact CD2-SD 4.3Å |
| 2569 | H | 90 | Very high | 87.3 | Confident | 25 Ų | 25 | 25.8 Ų | 25.8 | 12% | 0.116 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.9 | -46.6 | 174.8 | 177.3 | 58.9 | 0 | 0 | 0 | 111.4 | V2565 I2566 I2567 M2571 S2572 L2604 E2607 T2608 | V2565-H2569 VanDerWaalsContact O-CB 3.26Å; V2565-H2569 WeakPolarHBondContact O-CB 3.22Å; V2565-H2569 PolarHBondContact O-N 3.47Å; I2566-H2569 WeakPolarHBondContact O-CB 3.3Å; I2566-H2569 PolarHBondContact O-N 3.02Å; I2567-H2569 VanDerWaalsContact C-N 3.27Å; I2567-H2569 PolarHBondContact O-N 3.15Å; H2569-M2571 PolarHBondContact O-N 2.84Å; H2569-S2572 PolarHBondContact O-N 3.28Å; H2569-S2572 PolarHBondContact O-OG 3.35Å; H2569-L2604 HydrophobicContact CB-CB 4.24Å; H2569-E2607 IonicContact CE1-OE2 3.72Å; H2569-E2607 PolarHBondContact CE1-OE2 3.23Å; H2569-E2607 VanDerWaalsContact CE1-OE2 3.31Å; H2569-E2607 IonicContact NE2-OE2 3.77Å; H2569-T2608 WeakPolarHBondContact CA-OG1 3.38Å; H2569-T2608 VanDerWaalsContact CB-OG1 3.25Å; H2569-T2608 WeakPolarHBondContact CB-OG1 3.25Å; H2569-T2608 PolarHBondContact ND1-OG1 3.15Å |
| 2570 | Q | 87.9 | Confident | 87.5 | Confident | 27 Ų | 27 | 25.1 Ų | 25.1 | 13% | 0.126 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 175.1 | -65 | -55.4 | -44.9 | 0 | 0 | 112.3 | K2526 L2529 T2530 I2566 I2567 S2572 A2573 | K2526-Q2570 HydrophobicContact CG-CG 3.97Å; L2529-Q2570 HydrophobicContact CB-CB 4.27Å; L2529-Q2570 HydrophobicContact CD1-CB 3.93Å; T2530-Q2570 VanDerWaalsContact CG2-OE1 3.32Å; I2566-Q2570 PolarHBondContact O-N 2.92Å; I2567-Q2570 PolarHBondContact O-N 3.36Å; I2567-Q2570 VanDerWaalsContact O-N 3.15Å; Q2570-S2572 VanDerWaalsContact C-N 3.3Å; Q2570-S2572 PolarHBondContact O-N 3.42Å; Q2570-A2573 WeakPolarHBondContact O-CB 3.48Å; Q2570-A2573 PolarHBondContact O-N 3.27Å |
| 2571 | M | 89 | Confident | 87.6 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.3 | -32.9 | 177.8 | -66.6 | 166.6 | 78.4 | 0 | 0 | 112.5 | L2539 V2545 V2548 I2567 L2568 H2569 A2573 S2574 C2577 M2581 | L2539-M2571 HydrophobicContact CD1-CG 3.9Å; V2545-M2571 HydrophobicContact CB-CE 3.71Å; V2545-M2571 HydrophobicContact CG1-CE 3.65Å; V2545-M2571 HydrophobicContact CG2-CE 3.46Å; V2545-M2571 VanDerWaalsContact CG2-CE 3.46Å; V2548-M2571 HydrophobicContact CB-SD 4.5Å; V2548-M2571 HydrophobicContact CG1-SD 4.3Å; V2548-M2571 HydrophobicContact CG2-SD 4.33Å; I2567-M2571 HydrophobicContact CG2-CG 4.35Å; I2567-M2571 HydrophobicContact CG2-SD 3.78Å; I2567-M2571 VanDerWaalsContact O-CG 3.27Å; I2567-M2571 WeakPolarHBondContact O-CG 3.32Å; I2567-M2571 PolarHBondContact O-N 3.42Å; L2568-M2571 HydrophobicContact CD2-SD 4.33Å; L2568-M2571 PolarHBondContact O-N 3.48Å; H2569-M2571 PolarHBondContact O-N 2.84Å; M2571-A2573 PolarHBondContact O-N 3.47Å; M2571-A2573 VanDerWaalsContact O-N 3.15Å; M2571-S2574 PolarHBondContact O-N 2.93Å; M2571-C2577 HydrophobicContact CB-CB 4.03Å; M2571-C2577 WeakPolarHBondContact O-CB 2.99Å; M2571-M2581 HydrophobicContact CB-CE 3.5Å; M2571-M2581 VanDerWaalsContact CB-CE 3.5Å; M2571-M2581 HydrophobicContact CE-CE 3.61Å; M2571-M2581 HydrophobicContact CG-CE 4.33Å; M2571-M2581 HydrophobicContact SD-CE 3.95Å |
| 2572 | S | 87.6 | Confident | 87.6 | Confident | 4 Ų | 4 | 26 Ų | 26 | 3% | 0.028 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63 | -20.8 | -179.8 | 74.8 | 0 | 0 | 0 | 0 | 113.4 | L2568 H2569 Q2570 S2574 V2578 C2611 | L2568-S2572 WeakPolarHBondContact O-CB 3.45Å; L2568-S2572 PolarHBondContact O-N 2.99Å; H2569-S2572 PolarHBondContact O-N 3.28Å; H2569-S2572 PolarHBondContact O-OG 3.35Å; Q2570-S2572 VanDerWaalsContact C-N 3.3Å; Q2570-S2572 PolarHBondContact O-N 3.42Å; S2572-S2574 VanDerWaalsContact C-N 3.29Å; S2572-S2574 PolarHBondContact O-N 3.19Å; S2572-V2578 WeakPolarHBondContact O-CG2 3.34Å; S2572-C2611 WeakPolarHBondContact O-CB 3.29Å |
| 2573 | A | 85.4 | Confident | 87.5 | Confident | 78 Ų | 78 | 31.2 Ų | 31.2 | 65% | 0.645 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -23.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q2570 M2571 | Q2570-A2573 WeakPolarHBondContact O-CB 3.48Å; Q2570-A2573 PolarHBondContact O-N 3.27Å; M2571-A2573 PolarHBondContact O-N 3.47Å; M2571-A2573 VanDerWaalsContact O-N 3.15Å |
| 2574 | S | 88.2 | Confident | 87.3 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 3% | 0.028 | 18% | 0.176 | C | C | . | . | trans | -93 | 122.6 | 178.2 | 166.5 | 0 | 0 | 0 | 0 | 111.4 | T2536 D2537 M2571 S2572 L2576 C2577 V2578 | T2536-S2574 WeakPolarHBondContact OG1-CB 3.34Å; D2537-S2574 VanDerWaalsContact OD1-CB 3.28Å; D2537-S2574 WeakPolarHBondContact OD1-CB 3.44Å; D2537-S2574 PolarHBondContact OD1-OG 3.15Å; M2571-S2574 PolarHBondContact O-N 2.93Å; S2572-S2574 VanDerWaalsContact C-N 3.29Å; S2572-S2574 PolarHBondContact O-N 3.19Å; S2574-L2576 PolarHBondContact O-N 3.43Å; S2574-L2576 PolarHBondContact OG-N 2.65Å; S2574-C2577 WeakPolarHBondContact O-CB 3.46Å; S2574-C2577 PolarHBondContact O-N 3.09Å; S2574-C2577 VanDerWaalsContact O-N 3.17Å; S2574-C2577 PolarHBondContact OG-N 3.05Å; S2574-V2578 WeakPolarHBondContact O-CG2 3.36Å; S2574-V2578 PolarHBondContact O-N 3.04Å | ||
| 2575 | K | 85.4 | Confident | 87 | Confident | 144 Ų | 144 | 36.5 Ų | 36.5 | 63% | 0.626 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -59.8 | -31.8 | 175 | -64.6 | -178.8 | -178.8 | 177.9 | 0 | 112.6 | V2578 Q2579 T2615 | K2575-V2578 PolarHBondContact O-N 2.67Å; K2575-Q2579 WeakPolarHBondContact O-CB 3.34Å; K2575-Q2579 PolarHBondContact O-N 3.23Å; K2575-T2615 HydrophobicContact CG-CG2 4.29Å |
| 2576 | L | 86.2 | Confident | 86.9 | Confident | 72 Ų | 72 | 36.2 Ų | 36.2 | 38% | 0.377 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -72 | -38.6 | 178.4 | -66 | 176.1 | 0 | 0 | 0 | 111.7 | D2537 P2540 S2574 S2580 | D2537-L2576 HydrophobicContact CB-CD1 3.82Å; P2540-L2576 HydrophobicContact CG-CB 4.23Å; S2574-L2576 PolarHBondContact O-N 3.43Å; S2574-L2576 PolarHBondContact OG-N 2.65Å; L2576-S2580 PolarHBondContact O-N 3.14Å; L2576-S2580 VanDerWaalsContact O-N 3.07Å |
| 2577 | C | 88 | Confident | 86.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.4 | -46.7 | 170.6 | -79.3 | 0 | 0 | 0 | 0 | 111.3 | T2536 M2571 S2574 Q2579 S2580 M2581 | T2536-C2577 PolarHBondContact O-SG 3.14Å; M2571-C2577 HydrophobicContact CB-CB 4.03Å; M2571-C2577 WeakPolarHBondContact O-CB 2.99Å; S2574-C2577 WeakPolarHBondContact O-CB 3.46Å; S2574-C2577 PolarHBondContact O-N 3.09Å; S2574-C2577 VanDerWaalsContact O-N 3.17Å; S2574-C2577 PolarHBondContact OG-N 3.05Å; C2577-Q2579 VanDerWaalsContact C-N 3.29Å; C2577-Q2579 PolarHBondContact O-N 3.04Å; C2577-S2580 PolarHBondContact O-N 3.41Å; C2577-S2580 VanDerWaalsContact O-N 3.14Å; C2577-M2581 VanDerWaalsContact O-CG 3.28Å; C2577-M2581 WeakPolarHBondContact O-CG 3.44Å; C2577-M2581 PolarHBondContact O-N 2.63Å |
| 2578 | V | 86 | Confident | 86.6 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.5 | -41.2 | 178 | 178.5 | 0 | 0 | 0 | 0 | 111.4 | S2572 S2574 K2575 M2581 S2582 L2612 T2615 L2621 | S2572-V2578 WeakPolarHBondContact O-CG2 3.34Å; S2574-V2578 WeakPolarHBondContact O-CG2 3.36Å; S2574-V2578 PolarHBondContact O-N 3.04Å; K2575-V2578 PolarHBondContact O-N 2.67Å; V2578-M2581 WeakPolarHBondContact O-CB 3.27Å; V2578-M2581 PolarHBondContact O-N 3.08Å; V2578-S2582 PolarHBondContact O-N 3.06Å; V2578-L2612 HydrophobicContact CG1-CD2 4.13Å; V2578-L2612 HydrophobicContact CG2-CD2 4.16Å; V2578-T2615 HydrophobicContact CG1-CG2 4.32Å; V2578-L2621 HydrophobicContact CG1-CD1 3.85Å |
| 2579 | Q | 86.3 | Confident | 86.4 | Confident | 73 Ų | 73 | 37.3 Ų | 37.3 | 34% | 0.341 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.4 | -49.2 | 174 | -175 | 179.3 | -8.7 | 0 | 0 | 111.4 | K2575 C2577 M2581 S2582 | K2575-Q2579 WeakPolarHBondContact O-CB 3.34Å; K2575-Q2579 PolarHBondContact O-N 3.23Å; C2577-Q2579 VanDerWaalsContact C-N 3.29Å; C2577-Q2579 PolarHBondContact O-N 3.04Å; Q2579-M2581 VanDerWaalsContact C-N 3.28Å; Q2579-M2581 PolarHBondContact O-N 3.24Å; Q2579-S2582 WeakPolarHBondContact O-CB 3.39Å; Q2579-S2582 PolarHBondContact O-N 2.85Å; Q2579-S2582 VanDerWaalsContact O-N 3.08Å; Q2579-S2582 PolarHBondContact O-OG 3.3Å |
| 2580 | S | 86 | Confident | 86.2 | Confident | 23 Ų | 23 | 36.6 Ų | 36.6 | 16% | 0.161 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.8 | -31.9 | 176.9 | -177.9 | 0 | 0 | 0 | 0 | 112.8 | L2576 C2577 S2582 E2583 | L2576-S2580 PolarHBondContact O-N 3.14Å; L2576-S2580 VanDerWaalsContact O-N 3.07Å; C2577-S2580 PolarHBondContact O-N 3.41Å; C2577-S2580 VanDerWaalsContact O-N 3.14Å; S2580-S2582 VanDerWaalsContact C-N 3.35Å; S2580-E2583 PolarHBondContact O-N 3.46Å |
| 2581 | M | 87.6 | Confident | 86.1 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.9 | -31.7 | 172.8 | -69.2 | -179.8 | -176.5 | 0 | 0 | 113 | V2545 L2549 L2568 M2571 C2577 V2578 Q2579 E2583 S2584 T2586 L2612 | V2545-M2581 HydrophobicContact CG1-CG 4.17Å; L2549-M2581 HydrophobicContact CD1-CB 4.48Å; L2549-M2581 HydrophobicContact CD1-CG 4.14Å; L2549-M2581 HydrophobicContact CD2-CG 4.17Å; L2568-M2581 HydrophobicContact CD2-CE 3.43Å; L2568-M2581 VanDerWaalsContact CD2-CE 3.43Å; L2568-M2581 HydrophobicContact CD2-SD 4.3Å; M2571-M2581 HydrophobicContact CB-CE 3.5Å; M2571-M2581 VanDerWaalsContact CB-CE 3.5Å; M2571-M2581 HydrophobicContact CE-CE 3.61Å; M2571-M2581 HydrophobicContact CG-CE 4.33Å; M2571-M2581 HydrophobicContact SD-CE 3.95Å; C2577-M2581 VanDerWaalsContact O-CG 3.28Å; C2577-M2581 WeakPolarHBondContact O-CG 3.44Å; C2577-M2581 PolarHBondContact O-N 2.63Å; V2578-M2581 WeakPolarHBondContact O-CB 3.27Å; V2578-M2581 PolarHBondContact O-N 3.08Å; Q2579-M2581 VanDerWaalsContact C-N 3.28Å; Q2579-M2581 PolarHBondContact O-N 3.24Å; M2581-E2583 PolarHBondContact O-N 3.42Å; M2581-S2584 PolarHBondContact O-N 3.43Å; M2581-T2586 HydrophobicContact CB-CG2 4.26Å; M2581-T2586 HydrophobicContact CG-CG2 4.49Å; M2581-T2586 PolarHBondContact O-OG1 2.87Å; M2581-T2586 HydrophobicContact SD-CG2 4.46Å; M2581-L2612 HydrophobicContact SD-CD2 3.77Å |
| 2582 | S | 85.3 | Confident | 86 | Confident | 16 Ų | 16 | 40 Ų | 40 | 11% | 0.112 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.8 | -23.2 | 178.4 | 79.6 | 0 | 0 | 0 | 0 | 112.8 | V2578 Q2579 S2580 S2584 | V2578-S2582 PolarHBondContact O-N 3.06Å; Q2579-S2582 WeakPolarHBondContact O-CB 3.39Å; Q2579-S2582 PolarHBondContact O-N 2.85Å; Q2579-S2582 VanDerWaalsContact O-N 3.08Å; Q2579-S2582 PolarHBondContact O-OG 3.3Å; S2580-S2582 VanDerWaalsContact C-N 3.35Å; S2582-S2584 VanDerWaalsContact C-N 3.33Å |
| 2583 | E | 85.8 | Confident | 85.9 | Confident | 146 Ų | 146 | 39.8 Ų | 39.8 | 68% | 0.682 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -13.9 | 178.8 | -62.8 | 174.1 | 177.5 | 0 | 0 | 113.4 | S2580 M2581 | S2580-E2583 PolarHBondContact O-N 3.46Å; M2581-E2583 PolarHBondContact O-N 3.42Å |
| 2584 | S | 82.7 | Confident | 85.8 | Confident | 34 Ų | 34 | 36.4 Ų | 36.4 | 24% | 0.238 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122 | 161 | -178.6 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | M2581 S2582 T2586 Q2624 | M2581-S2584 PolarHBondContact O-N 3.43Å; S2582-S2584 VanDerWaalsContact C-N 3.33Å; S2584-T2586 PolarHBondContact O-N 3.34Å; S2584-T2586 PolarHBondContact O-OG1 3.47Å; S2584-Q2624 PolarHBondContact O-NE2 2.93Å; S2584-Q2624 PolarHBondContact O-OE1 2.96Å |
| 2585 | D | 83.5 | Confident | 85.6 | Confident | 80 Ų | 80 | 41.4 Ų | 41.4 | 43% | 0.428 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 66.9 | 179.2 | -163.1 | 4.2 | 0 | 0 | 0 | 112.3 | H2628 | D2585-H2628 IonicContact OD1-CD2 3.67Å; D2585-H2628 IonicContact OD1-CE1 2.85Å; D2585-H2628 IonicContact OD1-NE2 2.61Å; D2585-H2628 PolarHBondContact OD1-NE2 3.2Å; D2585-H2628 IonicContact OD2-CE1 2.91Å; D2585-H2628 IonicContact OD2-NE2 3.34Å; D2585-H2628 PolarHBondContact OD2-NE2 2.85Å |
| 2586 | T | 86.1 | Confident | 85.5 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.3 | -40 | -172.9 | -60 | 0 | 0 | 0 | 0 | 111.8 | L2549 L2552 M2581 S2584 G2589 L2590 | L2549-T2586 HydrophobicContact CD2-CG2 3.78Å; L2552-T2586 HydrophobicContact CD1-CG2 4.35Å; M2581-T2586 HydrophobicContact CB-CG2 4.26Å; M2581-T2586 HydrophobicContact CG-CG2 4.49Å; M2581-T2586 PolarHBondContact O-OG1 2.87Å; M2581-T2586 HydrophobicContact SD-CG2 4.46Å; S2584-T2586 PolarHBondContact O-N 3.34Å; S2584-T2586 PolarHBondContact O-OG1 3.47Å; T2586-G2589 PolarHBondContact O-N 2.76Å; T2586-L2590 VanDerWaalsContact O-CB 3.31Å; T2586-L2590 WeakPolarHBondContact O-CB 3.45Å; T2586-L2590 PolarHBondContact O-N 2.85Å |
| 2587 | I | 86.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.7 | -38.6 | -173.1 | -57.8 | -60.2 | 0 | 0 | 0 | 112.4 | G2589 L2590 I2591 F2613 L2621 Q2624 L2630 | I2587-G2589 VanDerWaalsContact C-N 3.34Å; I2587-G2589 PolarHBondContact O-N 3.23Å; I2587-L2590 PolarHBondContact O-N 2.86Å; I2587-I2591 HydrophobicContact CG2-CD1 4.02Å; I2587-I2591 HydrophobicContact CG2-CG1 4.41Å; I2587-I2591 WeakPolarHBondContact O-CG1 3.44Å; I2587-I2591 PolarHBondContact O-N 3.44Å; I2587-F2613 HydrophobicContact CD1-CE1 4.44Å; I2587-F2613 HydrophobicContact CD1-CZ 4Å; I2587-L2621 HydrophobicContact CD1-CD2 4.43Å; I2587-L2621 HydrophobicContact CG1-CD2 4.46Å; I2587-Q2624 HydrophobicContact CB-CB 3.82Å; I2587-Q2624 HydrophobicContact CG1-CB 3.64Å; I2587-Q2624 VanDerWaalsContact N-OE1 3.17Å; I2587-L2630 HydrophobicContact CD1-CD2 4.3Å; I2587-L2630 HydrophobicContact CG2-CB 4.01Å; I2587-L2630 HydrophobicContact CG2-CD1 4.2Å; I2587-L2630 HydrophobicContact CG2-CD2 3.89Å; I2587-L2630 HydrophobicContact CG2-CG 4.24Å |
| 2588 | S | 86.6 | Confident | 84.5 | Confident | 45 Ų | 45 | 40.2 Ų | 40.2 | 32% | 0.315 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.6 | -49 | 176.2 | -158.5 | 0 | 0 | 0 | 0 | 111.3 | L2590 I2591 R2592 H2628 | S2588-L2590 VanDerWaalsContact C-N 3.33Å; S2588-L2590 PolarHBondContact O-N 2.93Å; S2588-I2591 PolarHBondContact O-N 2.9Å; S2588-R2592 PolarHBondContact O-N 3.11Å; S2588-H2628 VanDerWaalsContact CB-CE1 3.46Å; S2588-H2628 WeakPolarHBondContact CB-CE1 3.39Å; S2588-H2628 WeakPolarHBondContact CB-NE2 3.22Å; S2588-H2628 PolarHBondContact OG-CE1 2.98Å; S2588-H2628 VanDerWaalsContact OG-CE1 3.23Å; S2588-H2628 PolarHBondContact OG-ND1 3.33Å |
| 2589 | G | 85 | Confident | 84 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 8% | 0.082 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.3 | -39.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T2586 I2587 R2592 I2593 | T2586-G2589 PolarHBondContact O-N 2.76Å; I2587-G2589 VanDerWaalsContact C-N 3.34Å; I2587-G2589 PolarHBondContact O-N 3.23Å; G2589-R2592 WeakPolarHBondContact O-CB 3.28Å; G2589-R2592 PolarHBondContact O-N 3.04Å; G2589-I2593 PolarHBondContact O-N 3.19Å |
| 2590 | L | 86.1 | Confident | 83.6 | Confident | 11 Ų | 11 | 41.4 Ų | 41.4 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.5 | -49 | 177.8 | -168.1 | 145 | 0 | 0 | 0 | 111.1 | T2586 I2587 S2588 R2592 I2593 V2594 L2609 L2612 | T2586-L2590 VanDerWaalsContact O-CB 3.31Å; T2586-L2590 WeakPolarHBondContact O-CB 3.45Å; T2586-L2590 PolarHBondContact O-N 2.85Å; I2587-L2590 PolarHBondContact O-N 2.86Å; S2588-L2590 VanDerWaalsContact C-N 3.33Å; S2588-L2590 PolarHBondContact O-N 2.93Å; L2590-R2592 VanDerWaalsContact C-N 3.26Å; L2590-R2592 PolarHBondContact O-N 3.2Å; L2590-I2593 PolarHBondContact O-N 3.18Å; L2590-I2593 VanDerWaalsContact O-N 3.15Å; L2590-V2594 HydrophobicContact CD2-CG2 3.77Å; L2590-V2594 HydrophobicContact CG-CG2 4.32Å; L2590-V2594 WeakPolarHBondContact O-CB 3.32Å; L2590-V2594 WeakPolarHBondContact O-CG2 3.38Å; L2590-V2594 PolarHBondContact O-N 2.75Å; L2590-L2609 HydrophobicContact CD1-CD2 4.28Å; L2590-L2609 HydrophobicContact CD2-CD2 3.85Å; L2590-L2609 HydrophobicContact CD2-CG 4.44Å; L2590-L2612 HydrophobicContact CD1-CD1 4.17Å |
| 2591 | I | 85.4 | Confident | 83.3 | Confident | 23 Ų | 23 | 42.6 Ų | 42.6 | 12% | 0.118 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.5 | -42.7 | 176.5 | -66.5 | 166.2 | 0 | 0 | 0 | 111 | I2587 S2588 V2594 N2595 H2628 L2630 F2633 | I2587-I2591 HydrophobicContact CG2-CD1 4.02Å; I2587-I2591 HydrophobicContact CG2-CG1 4.41Å; I2587-I2591 WeakPolarHBondContact O-CG1 3.44Å; I2587-I2591 PolarHBondContact O-N 3.44Å; S2588-I2591 PolarHBondContact O-N 2.9Å; I2591-V2594 PolarHBondContact O-N 3.17Å; I2591-N2595 PolarHBondContact O-N 3.36Å; I2591-N2595 VanDerWaalsContact O-N 3.16Å; I2591-N2595 PolarHBondContact O-ND2 2.85Å; I2591-N2595 VanDerWaalsContact O-ND2 3.08Å; I2591-H2628 HydrophobicContact CD1-CB 3.89Å; I2591-H2628 WeakPolarHBondContact CD1-O 3.47Å; I2591-L2630 HydrophobicContact CD1-CB 4.18Å; I2591-L2630 HydrophobicContact CD1-CD1 3.95Å; I2591-L2630 HydrophobicContact CG1-CD1 3.68Å; I2591-F2633 HydrophobicContact CG1-CD1 4.27Å; I2591-F2633 HydrophobicContact CG2-CD1 4.37Å; I2591-F2633 HydrophobicContact CG2-CD2 4.09Å; I2591-F2633 HydrophobicContact CG2-CE1 4.38Å; I2591-F2633 HydrophobicContact CG2-CE2 4.14Å; I2591-F2633 HydrophobicContact CG2-CG 4.21Å; I2591-F2633 HydrophobicContact CG2-CZ 4.27Å |
| 2592 | R | 86.2 | Confident | 83 | Confident | 74 Ų | 74 | 43.1 Ų | 43.1 | 28% | 0.279 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.4 | -45.9 | 178 | -176.6 | -180 | -177.5 | -95.9 | 2.9 | 112 | L2552 A2553 V2555 D2556 S2588 G2589 L2590 | L2552-R2592 PolarHBondContact O-NH1 3.39Å; L2552-R2592 VanDerWaalsContact O-NH1 3.14Å; A2553-R2592 VanDerWaalsContact C-NH1 3.25Å; A2553-R2592 PolarHBondContact O-NH1 2.9Å; A2553-R2592 VanDerWaalsContact O-NH1 3.09Å; A2553-R2592 PolarHBondContact O-NH2 2.89Å; V2555-R2592 PolarHBondContact O-NH1 3.48Å; D2556-R2592 IonicContact OD1-CZ 3.04Å; D2556-R2592 IonicContact OD1-NH1 3.07Å; D2556-R2592 IonicContact OD1-NH2 2.85Å; D2556-R2592 PolarHBondContact OD1-NH2 2.97Å; D2556-R2592 IonicContact OD2-NH2 3.15Å; S2588-R2592 PolarHBondContact O-N 3.11Å; G2589-R2592 WeakPolarHBondContact O-CB 3.28Å; G2589-R2592 PolarHBondContact O-N 3.04Å; L2590-R2592 VanDerWaalsContact C-N 3.26Å; L2590-R2592 PolarHBondContact O-N 3.2Å |
| 2593 | I | 85.5 | Confident | 82.8 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.8 | -38.2 | 179.6 | -90.9 | 169.5 | 0 | 0 | 0 | 112.5 | L2552 A2561 I2564 V2565 G2589 L2590 N2595 R2596 C2597 | L2552-I2593 HydrophobicContact CB-CD1 4.1Å; L2552-I2593 HydrophobicContact CD2-CB 4.45Å; L2552-I2593 HydrophobicContact CD2-CD1 3.41Å; L2552-I2593 VanDerWaalsContact CD2-CD1 3.41Å; L2552-I2593 HydrophobicContact CD2-CG1 4.43Å; L2552-I2593 HydrophobicContact CG-CD1 4.19Å; A2561-I2593 HydrophobicContact CB-CG1 4.46Å; A2561-I2593 HydrophobicContact CB-CG2 4.15Å; I2564-I2593 HydrophobicContact CB-CD1 4.06Å; I2564-I2593 HydrophobicContact CD1-CD1 3.6Å; I2564-I2593 HydrophobicContact CG1-CD1 4.44Å; I2564-I2593 HydrophobicContact CG2-CD1 3.77Å; V2565-I2593 HydrophobicContact CG2-CG2 3.53Å; G2589-I2593 PolarHBondContact O-N 3.19Å; L2590-I2593 PolarHBondContact O-N 3.18Å; L2590-I2593 VanDerWaalsContact O-N 3.15Å; I2593-N2595 VanDerWaalsContact C-N 3.27Å; I2593-N2595 PolarHBondContact O-N 3.1Å; I2593-R2596 CarbonylContact O-C 3.21Å; I2593-R2596 WeakPolarHBondContact O-CA 3.41Å; I2593-R2596 PolarHBondContact O-N 3.11Å; I2593-C2597 WeakPolarHBondContact O-CB 3.39Å; I2593-C2597 PolarHBondContact O-N 3.35Å |
| 2594 | V | 83.9 | Confident | 82.7 | Confident | 6 Ų | 6 | 38 Ų | 38 | 4% | 0.036 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.8 | -40.5 | 177.3 | 171 | 0 | 0 | 0 | 0 | 111.1 | L2590 I2591 R2596 C2597 L2602 I2605 F2633 M2637 | L2590-V2594 HydrophobicContact CD2-CG2 3.77Å; L2590-V2594 HydrophobicContact CG-CG2 4.32Å; L2590-V2594 WeakPolarHBondContact O-CB 3.32Å; L2590-V2594 WeakPolarHBondContact O-CG2 3.38Å; L2590-V2594 PolarHBondContact O-N 2.75Å; I2591-V2594 PolarHBondContact O-N 3.17Å; V2594-R2596 PolarHBondContact O-N 3.05Å; V2594-C2597 PolarHBondContact O-N 3.5Å; V2594-L2602 HydrophobicContact CG1-CD1 3.99Å; V2594-I2605 HydrophobicContact CB-CD1 3.97Å; V2594-I2605 HydrophobicContact CG1-CD1 3.56Å; V2594-I2605 HydrophobicContact CG2-CD1 3.38Å; V2594-I2605 HydrophobicContact CG2-CG1 3.87Å; V2594-I2605 HydrophobicContact CG2-CG2 4.01Å; V2594-F2633 HydrophobicContact CB-CE1 4.17Å; V2594-F2633 HydrophobicContact CB-CZ 4.26Å; V2594-F2633 HydrophobicContact CG1-CE1 3.71Å; V2594-F2633 HydrophobicContact CG1-CZ 3.78Å; V2594-M2637 HydrophobicContact CG1-CE 3.96Å; V2594-M2637 HydrophobicContact CG1-SD 3.94Å |
| 2595 | N | 83.8 | Confident | 82.8 | Confident | 109 Ų | 109 | 36.8 Ų | 36.8 | 58% | 0.583 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -18.1 | 175.4 | -78.2 | -43.2 | 0 | 0 | 0 | 114.2 | I2591 I2593 F2633 | I2591-N2595 PolarHBondContact O-N 3.36Å; I2591-N2595 VanDerWaalsContact O-N 3.16Å; I2591-N2595 PolarHBondContact O-ND2 2.85Å; I2591-N2595 VanDerWaalsContact O-ND2 3.08Å; I2593-N2595 VanDerWaalsContact C-N 3.27Å; I2593-N2595 PolarHBondContact O-N 3.1Å; N2595-F2633 WeakPolarHBondContact OD1-CE2 3.37Å; N2595-F2633 WeakPolarHBondContact OD1-CZ 3.34Å |
| 2596 | R | 82.5 | Confident | 82.8 | Confident | 72 Ų | 72 | 33 Ų | 33 | 27% | 0.272 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -14.6 | -177.5 | -66.4 | 177.8 | 169.6 | -179.8 | -14.9 | 113.3 | V2555 D2556 P2558 A2561 I2593 V2594 | V2555-R2596 PolarHBondContact O-NH1 2.97Å; D2556-R2596 IonicContact OD1-CZ 3.55Å; D2556-R2596 IonicContact OD1-NH1 3.42Å; D2556-R2596 PolarHBondContact OD1-NH1 3Å; D2556-R2596 IonicContact OD1-NH2 3.31Å; D2556-R2596 PolarHBondContact OD1-NH2 3.45Å; D2556-R2596 IonicContact OD2-CZ 3.17Å; D2556-R2596 IonicContact OD2-NH1 3.73Å; D2556-R2596 PolarHBondContact OD2-NH1 3.16Å; D2556-R2596 IonicContact OD2-NH2 2.67Å; D2556-R2596 PolarHBondContact OD2-NH2 3.03Å; P2558-R2596 WeakPolarHBondContact CA-O 3.46Å; A2561-R2596 HydrophobicContact CB-CB 4.08Å; I2593-R2596 CarbonylContact O-C 3.21Å; I2593-R2596 WeakPolarHBondContact O-CA 3.41Å; I2593-R2596 PolarHBondContact O-N 3.11Å; V2594-R2596 PolarHBondContact O-N 3.05Å |
| 2597 | C | 82.2 | Confident | 82.8 | Confident | 7 Ų | 7 | 34.6 Ų | 34.6 | 5% | 0.047 | 18% | 0.178 | C | C | . | . | trans | -75.8 | 124.8 | 177.1 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | A2561 V2565 I2593 V2594 L2602 | A2561-C2597 HydrophobicContact CB-CB 4.25Å; V2565-C2597 HydrophobicContact CG2-CB 4.39Å; I2593-C2597 WeakPolarHBondContact O-CB 3.39Å; I2593-C2597 PolarHBondContact O-N 3.35Å; V2594-C2597 PolarHBondContact O-N 3.5Å; C2597-L2602 HydrophobicContact CB-CD1 4.08Å | ||
| 2598 | I | 72.5 | Confident | 82.8 | Confident | 113 Ų | 113 | 34.9 Ų | 34.9 | 58% | 0.579 | 18% | 0.18 | S | C | * | . | trans | -128.5 | 99.5 | -177.8 | -56.2 | 168.8 | 0 | 0 | 0 | 109.4 | P2558 K2562 | P2558-I2598 HydrophobicContact CB-CD1 4.35Å; K2562-I2598 WeakPolarHBondContact CE-O 3.33Å; K2562-I2598 PolarHBondContact NZ-O 3.41Å | ||
| 2599 | G | 74.8 | Confident | 82.9 | Confident | 8 Ų | 8 | 32.8 Ų | 32.8 | 8% | 0.082 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 165.9 | -160.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | E2601 S2645 | G2599-E2601 VanDerWaalsContact C-N 3.3Å; G2599-E2601 WeakPolarHBondContact CA-OE2 3.21Å; G2599-S2645 PolarHBondContact O-OG 3.21Å |
| 2600 | E | 77.2 | Confident | 83 | Confident | 90 Ų | 90 | 34.1 Ų | 34.1 | 42% | 0.421 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -69.9 | -31.4 | 174.5 | -74.8 | 179.5 | -177.1 | 0 | 0 | 111.1 | L2602 G2603 S2645 R2647 | E2600-L2602 PolarHBondContact O-N 3.37Å; E2600-G2603 PolarHBondContact O-N 3.49Å; E2600-S2645 WeakPolarHBondContact CA-O 3.3Å; E2600-S2645 WeakPolarHBondContact CG-O 3.44Å; E2600-R2647 HydrophobicContact CG-CG 4.13Å; E2600-R2647 IonicContact OE1-CZ 3.24Å; E2600-R2647 VanDerWaalsContact OE1-CZ 3.24Å; E2600-R2647 IonicContact OE1-NE 2.76Å; E2600-R2647 PolarHBondContact OE1-NE 2.92Å; E2600-R2647 IonicContact OE1-NH2 2.87Å; E2600-R2647 PolarHBondContact OE1-NH2 3.23Å; E2600-R2647 IonicContact OE2-CZ 3.23Å; E2600-R2647 VanDerWaalsContact OE2-CZ 3.23Å; E2600-R2647 IonicContact OE2-NE 3.1Å; E2600-R2647 PolarHBondContact OE2-NE 3.41Å; E2600-R2647 VanDerWaalsContact OE2-NE 3.1Å; E2600-R2647 IonicContact OE2-NH2 3.08Å; E2600-R2647 PolarHBondContact OE2-NH2 2.97Å; E2600-R2647 VanDerWaalsContact OE2-NH2 3.08Å |
| 2601 | E | 81.2 | Confident | 83 | Confident | 49 Ų | 49 | 35 Ų | 35 | 23% | 0.229 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -64.5 | -24.2 | -175.5 | -58.2 | 77.6 | -175.4 | 0 | 0 | 112.8 | K2562 I2566 G2599 G2603 L2604 | K2562-E2601 HydrophobicContact CB-CG 4.26Å; K2562-E2601 HydrophobicContact CG-CG 4.37Å; I2566-E2601 HydrophobicContact CD1-CG 3.69Å; I2566-E2601 HydrophobicContact CG1-CB 4.37Å; I2566-E2601 HydrophobicContact CG1-CG 3.83Å; G2599-E2601 VanDerWaalsContact C-N 3.3Å; G2599-E2601 WeakPolarHBondContact CA-OE2 3.21Å; E2601-G2603 PolarHBondContact O-N 3.37Å; E2601-G2603 VanDerWaalsContact O-N 3.13Å; E2601-L2604 VanDerWaalsContact O-CB 3.31Å; E2601-L2604 WeakPolarHBondContact O-CB 3.5Å; E2601-L2604 PolarHBondContact O-N 3.31Å |
| 2602 | L | 79.9 | Confident | 83 | Confident | 12 Ų | 12 | 34 Ų | 34 | 6% | 0.063 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -57.7 | -26.1 | 173.1 | -164 | 81.1 | 0 | 0 | 0 | 111.3 | V2594 C2597 E2600 L2604 I2605 M2637 F2642 P2643 V2646 | V2594-L2602 HydrophobicContact CG1-CD1 3.99Å; C2597-L2602 HydrophobicContact CB-CD1 4.08Å; E2600-L2602 PolarHBondContact O-N 3.37Å; L2602-L2604 VanDerWaalsContact C-N 3.27Å; L2602-L2604 PolarHBondContact O-N 2.84Å; L2602-I2605 HydrophobicContact CB-CD1 4.4Å; L2602-I2605 HydrophobicContact CD1-CD1 3.43Å; L2602-I2605 VanDerWaalsContact CD1-CD1 3.43Å; L2602-I2605 HydrophobicContact CG-CD1 3.89Å; L2602-I2605 WeakPolarHBondContact O-CD1 3.45Å; L2602-I2605 PolarHBondContact O-N 3.45Å; L2602-M2637 HydrophobicContact CD2-CE 4.37Å; L2602-M2637 HydrophobicContact CG-CE 4.45Å; L2602-F2642 HydrophobicContact CD2-CD1 4.14Å; L2602-P2643 HydrophobicContact CD2-CG 4.13Å; L2602-V2646 HydrophobicContact CB-CG2 4Å; L2602-V2646 HydrophobicContact CD2-CG2 4.26Å |
| 2603 | G | 80.5 | Confident | 83.1 | Confident | 14 Ų | 14 | 30.7 Ų | 30.7 | 14% | 0.144 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -66 | -25.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E2600 E2601 I2605 T2652 | E2600-G2603 PolarHBondContact O-N 3.49Å; E2601-G2603 PolarHBondContact O-N 3.37Å; E2601-G2603 VanDerWaalsContact O-N 3.13Å; G2603-I2605 PolarHBondContact O-N 3.18Å; G2603-T2652 VanDerWaalsContact CA-OG1 3.22Å; G2603-T2652 WeakPolarHBondContact CA-OG1 3.47Å; G2603-T2652 PolarHBondContact O-OG1 3.35Å |
| 2604 | L | 84.4 | Confident | 83 | Confident | 42 Ų | 42 | 35.4 Ų | 35.4 | 22% | 0.22 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.7 | -19.5 | -178.7 | -57.4 | 175.7 | 0 | 0 | 0 | 112.6 | V2565 I2566 H2569 E2601 L2602 G2606 E2607 T2608 | V2565-L2604 HydrophobicContact CG1-CB 4.41Å; I2566-L2604 HydrophobicContact CG1-CD1 4.12Å; H2569-L2604 HydrophobicContact CB-CB 4.24Å; E2601-L2604 VanDerWaalsContact O-CB 3.31Å; E2601-L2604 WeakPolarHBondContact O-CB 3.5Å; E2601-L2604 PolarHBondContact O-N 3.31Å; L2602-L2604 VanDerWaalsContact C-N 3.27Å; L2602-L2604 PolarHBondContact O-N 2.84Å; L2604-G2606 VanDerWaalsContact C-N 3.28Å; L2604-G2606 PolarHBondContact O-N 3.27Å; L2604-E2607 PolarHBondContact O-N 3.38Å; L2604-T2608 WeakPolarHBondContact O-CB 3.31Å; L2604-T2608 PolarHBondContact O-N 3.39Å; L2604-T2608 PolarHBondContact O-OG1 3.27Å |
| 2605 | I | 84.9 | Confident | 82.8 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.036 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.3 | -36.9 | -176.1 | -66 | 159.2 | 0 | 0 | 0 | 111.3 | V2565 V2594 L2602 G2603 T2608 L2609 | V2565-I2605 HydrophobicContact CG1-CG1 3.98Å; V2594-I2605 HydrophobicContact CB-CD1 3.97Å; V2594-I2605 HydrophobicContact CG1-CD1 3.56Å; V2594-I2605 HydrophobicContact CG2-CD1 3.38Å; V2594-I2605 HydrophobicContact CG2-CG1 3.87Å; V2594-I2605 HydrophobicContact CG2-CG2 4.01Å; L2602-I2605 HydrophobicContact CB-CD1 4.4Å; L2602-I2605 HydrophobicContact CD1-CD1 3.43Å; L2602-I2605 VanDerWaalsContact CD1-CD1 3.43Å; L2602-I2605 HydrophobicContact CG-CD1 3.89Å; L2602-I2605 WeakPolarHBondContact O-CD1 3.45Å; L2602-I2605 PolarHBondContact O-N 3.45Å; G2603-I2605 PolarHBondContact O-N 3.18Å; I2605-T2608 PolarHBondContact O-N 3.48Å; I2605-L2609 HydrophobicContact CG2-CD1 3.74Å; I2605-L2609 HydrophobicContact CG2-CG 4.07Å; I2605-L2609 WeakPolarHBondContact O-CB 3.41Å; I2605-L2609 WeakPolarHBondContact O-CG 3.5Å; I2605-L2609 PolarHBondContact O-N 2.9Å |
| 2606 | G | 83.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.4 | -54.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L2604 L2609 F2610 Y2655 | L2604-G2606 VanDerWaalsContact C-N 3.28Å; L2604-G2606 PolarHBondContact O-N 3.27Å; G2606-L2609 PolarHBondContact O-N 3Å; G2606-F2610 WeakPolarHBondContact O-CB 3.48Å; G2606-F2610 PolarHBondContact O-N 3.42Å; G2606-Y2655 WeakPolarHBondContact O-CB 3.41Å |
| 2607 | E | 85.8 | Confident | 81.5 | Confident | 35 Ų | 35 | 42 Ų | 42 | 16% | 0.164 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.3 | -39.6 | 179.9 | -170.7 | 166 | -146.4 | 0 | 0 | 111.5 | H2569 L2604 L2609 F2610 C2611 Y2655 N2697 | H2569-E2607 IonicContact CE1-OE2 3.72Å; H2569-E2607 PolarHBondContact CE1-OE2 3.23Å; H2569-E2607 VanDerWaalsContact CE1-OE2 3.31Å; H2569-E2607 IonicContact NE2-OE2 3.77Å; L2604-E2607 PolarHBondContact O-N 3.38Å; E2607-L2609 PolarHBondContact O-N 3.47Å; E2607-F2610 WeakPolarHBondContact O-CB 3.31Å; E2607-F2610 PolarHBondContact O-N 2.98Å; E2607-C2611 WeakPolarHBondContact O-CB 3.26Å; E2607-C2611 PolarHBondContact O-N 2.69Å; E2607-C2611 PolarHBondContact O-SG 3Å; E2607-Y2655 HydrophobicContact CB-CD1 4.29Å; E2607-Y2655 HydrophobicContact CB-CD2 3.75Å; E2607-Y2655 HydrophobicContact CB-CE1 4.36Å; E2607-Y2655 HydrophobicContact CB-CE2 3.79Å; E2607-Y2655 HydrophobicContact CB-CG 3.99Å; E2607-Y2655 HydrophobicContact CG-CD1 4.35Å; E2607-Y2655 HydrophobicContact CG-CD2 4.33Å; E2607-Y2655 HydrophobicContact CG-CE1 3.99Å; E2607-Y2655 HydrophobicContact CG-CE2 3.93Å; E2607-Y2655 VanDerWaalsContact OE1-CZ 3.29Å; E2607-Y2655 PolarHBondContact OE1-OH 3.45Å; E2607-N2697 PolarHBondContact OE1-ND2 3.09Å |
| 2608 | T | 88 | Confident | 81.2 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.6 | -49.7 | 175.9 | -53.2 | 0 | 0 | 0 | 0 | 111.6 | H2569 L2604 I2605 F2610 C2611 L2612 | H2569-T2608 WeakPolarHBondContact CA-OG1 3.38Å; H2569-T2608 VanDerWaalsContact CB-OG1 3.25Å; H2569-T2608 WeakPolarHBondContact CB-OG1 3.25Å; H2569-T2608 PolarHBondContact ND1-OG1 3.15Å; L2604-T2608 WeakPolarHBondContact O-CB 3.31Å; L2604-T2608 PolarHBondContact O-N 3.39Å; L2604-T2608 PolarHBondContact O-OG1 3.27Å; I2605-T2608 PolarHBondContact O-N 3.48Å; T2608-F2610 VanDerWaalsContact C-N 3.33Å; T2608-F2610 PolarHBondContact O-N 3.33Å; T2608-C2611 PolarHBondContact O-N 2.85Å; T2608-L2612 HydrophobicContact CG2-CD1 4.49Å; T2608-L2612 VanDerWaalsContact O-CG 3.3Å; T2608-L2612 WeakPolarHBondContact O-CG 3.37Å; T2608-L2612 PolarHBondContact O-N 3.31Å |
| 2609 | L | 86.9 | Confident | 81.7 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.4 | -39.2 | 177.3 | -73.2 | 176 | 0 | 0 | 0 | 111.6 | L2590 I2605 G2606 E2607 L2612 F2613 L2630 I2634 L2656 A2659 | L2590-L2609 HydrophobicContact CD1-CD2 4.28Å; L2590-L2609 HydrophobicContact CD2-CD2 3.85Å; L2590-L2609 HydrophobicContact CD2-CG 4.44Å; I2605-L2609 HydrophobicContact CG2-CD1 3.74Å; I2605-L2609 HydrophobicContact CG2-CG 4.07Å; I2605-L2609 WeakPolarHBondContact O-CB 3.41Å; I2605-L2609 WeakPolarHBondContact O-CG 3.5Å; I2605-L2609 PolarHBondContact O-N 2.9Å; G2606-L2609 PolarHBondContact O-N 3Å; E2607-L2609 PolarHBondContact O-N 3.47Å; L2609-L2612 HydrophobicContact CD2-CD1 4.25Å; L2609-L2612 PolarHBondContact O-N 2.81Å; L2609-F2613 HydrophobicContact CB-CE2 4.22Å; L2609-F2613 HydrophobicContact CD2-CE2 4Å; L2609-F2613 HydrophobicContact CD2-CZ 4.47Å; L2609-F2613 WeakPolarHBondContact O-CD2 3.44Å; L2609-F2613 PolarHBondContact O-N 3.35Å; L2609-F2613 VanDerWaalsContact O-N 3.14Å; L2609-L2630 HydrophobicContact CD2-CD2 4.04Å; L2609-I2634 HydrophobicContact CD1-CD1 3.95Å; L2609-I2634 HydrophobicContact CD1-CG1 4.24Å; L2609-L2656 HydrophobicContact CD1-CD2 3.72Å; L2609-A2659 HydrophobicContact CB-CB 3.96Å |
| 2610 | F | 87.1 | Confident | 82.2 | Confident | 35 Ų | 35 | 41.2 Ų | 41.2 | 15% | 0.154 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.3 | -49.6 | 175 | 174.1 | -113.3 | 0 | 0 | 0 | 111.2 | G2606 E2607 T2608 L2612 F2613 D2614 Y2655 K2658 A2659 A2662 | G2606-F2610 WeakPolarHBondContact O-CB 3.48Å; G2606-F2610 PolarHBondContact O-N 3.42Å; E2607-F2610 WeakPolarHBondContact O-CB 3.31Å; E2607-F2610 PolarHBondContact O-N 2.98Å; T2608-F2610 VanDerWaalsContact C-N 3.33Å; T2608-F2610 PolarHBondContact O-N 3.33Å; F2610-L2612 VanDerWaalsContact C-N 3.31Å; F2610-L2612 PolarHBondContact O-N 3.35Å; F2610-F2613 PolarHBondContact O-N 2.89Å; F2610-F2613 VanDerWaalsContact O-N 3.16Å; F2610-D2614 HydrophobicContact CD2-CB 4.15Å; F2610-D2614 HydrophobicContact CE1-CB 4.3Å; F2610-D2614 HydrophobicContact CE2-CB 3.72Å; F2610-D2614 HydrophobicContact CZ-CB 3.79Å; F2610-D2614 VanDerWaalsContact CZ-OD2 3.23Å; F2610-D2614 WeakPolarHBondContact CZ-OD2 3.5Å; F2610-D2614 WeakPolarHBondContact O-CB 2.69Å; F2610-D2614 PolarHBondContact O-N 3Å; F2610-Y2655 HydrophobicContact CB-CD1 4.19Å; F2610-Y2655 AromaticContact CD1-CD1 3.95Å; F2610-Y2655 HydrophobicContact CD1-CD1 3.95Å; F2610-Y2655 HydrophobicContact CD1-CE1 4.08Å; F2610-Y2655 HydrophobicContact CG-CD1 4.2Å; F2610-K2658 HydrophobicContact CD2-CB 3.59Å; F2610-K2658 HydrophobicContact CD2-CD 4.46Å; F2610-K2658 HydrophobicContact CE2-CB 3.88Å; F2610-K2658 HydrophobicContact CE2-CD 4.13Å; F2610-K2658 HydrophobicContact CG-CB 4.2Å; F2610-K2658 HydrophobicContact CZ-CD 4.22Å; F2610-A2659 HydrophobicContact CB-CB 4.19Å; F2610-A2662 HydrophobicContact CD2-CB 4.33Å; F2610-A2662 HydrophobicContact CE2-CB 4.37Å |
| 2611 | C | 87.1 | Confident | 82.6 | Confident | 31 Ų | 31 | 36.9 Ų | 36.9 | 21% | 0.209 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -35.7 | 177.7 | -67.7 | 0 | 0 | 0 | 0 | 113 | S2572 E2607 T2608 F2613 T2615 | S2572-C2611 WeakPolarHBondContact O-CB 3.29Å; E2607-C2611 WeakPolarHBondContact O-CB 3.26Å; E2607-C2611 PolarHBondContact O-N 2.69Å; E2607-C2611 PolarHBondContact O-SG 3Å; T2608-C2611 PolarHBondContact O-N 2.85Å; C2611-F2613 VanDerWaalsContact C-N 3.35Å; C2611-F2613 PolarHBondContact O-N 2.96Å; C2611-T2615 WeakPolarHBondContact O-CG2 3.39Å |
| 2612 | L | 86.3 | Confident | 82.8 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.1 | -40.8 | 174.5 | -75.4 | 175.6 | 0 | 0 | 0 | 112.2 | V2578 M2581 L2590 T2608 L2609 F2610 T2615 L2621 | V2578-L2612 HydrophobicContact CG1-CD2 4.13Å; V2578-L2612 HydrophobicContact CG2-CD2 4.16Å; M2581-L2612 HydrophobicContact SD-CD2 3.77Å; L2590-L2612 HydrophobicContact CD1-CD1 4.17Å; T2608-L2612 HydrophobicContact CG2-CD1 4.49Å; T2608-L2612 VanDerWaalsContact O-CG 3.3Å; T2608-L2612 WeakPolarHBondContact O-CG 3.37Å; T2608-L2612 PolarHBondContact O-N 3.31Å; L2609-L2612 HydrophobicContact CD2-CD1 4.25Å; L2609-L2612 PolarHBondContact O-N 2.81Å; F2610-L2612 VanDerWaalsContact C-N 3.31Å; F2610-L2612 PolarHBondContact O-N 3.35Å; L2612-T2615 PolarHBondContact O-OG1 2.77Å; L2612-L2621 HydrophobicContact CB-CD1 4.21Å; L2612-L2621 HydrophobicContact CD2-CD1 4.04Å |
| 2613 | F | 86.9 | Confident | 83.1 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -92 | -24.8 | -175.8 | -59.1 | -54.6 | 0 | 0 | 0 | 114.3 | I2587 L2609 F2610 C2611 T2615 S2618 L2621 I2622 A2625 L2630 A2659 A2662 M2663 | I2587-F2613 HydrophobicContact CD1-CE1 4.44Å; I2587-F2613 HydrophobicContact CD1-CZ 4Å; L2609-F2613 HydrophobicContact CB-CE2 4.22Å; L2609-F2613 HydrophobicContact CD2-CE2 4Å; L2609-F2613 HydrophobicContact CD2-CZ 4.47Å; L2609-F2613 WeakPolarHBondContact O-CD2 3.44Å; L2609-F2613 PolarHBondContact O-N 3.35Å; L2609-F2613 VanDerWaalsContact O-N 3.14Å; F2610-F2613 PolarHBondContact O-N 2.89Å; F2610-F2613 VanDerWaalsContact O-N 3.16Å; C2611-F2613 VanDerWaalsContact C-N 3.35Å; C2611-F2613 PolarHBondContact O-N 2.96Å; F2613-T2615 PolarHBondContact O-N 3.32Å; F2613-S2618 VanDerWaalsContact O-CB 3.28Å; F2613-S2618 WeakPolarHBondContact O-CB 3.4Å; F2613-S2618 PolarHBondContact O-OG 3.28Å; F2613-S2618 VanDerWaalsContact O-OG 3.11Å; F2613-L2621 HydrophobicContact CD1-CB 4.27Å; F2613-L2621 HydrophobicContact CE1-CB 3.86Å; F2613-I2622 HydrophobicContact CD1-CG1 3.68Å; F2613-I2622 HydrophobicContact CE1-CG1 4.06Å; F2613-A2625 HydrophobicContact CE1-CB 4.29Å; F2613-A2625 HydrophobicContact CZ-CB 4.04Å; F2613-L2630 HydrophobicContact CE2-CD2 3.82Å; F2613-L2630 HydrophobicContact CZ-CD2 3.57Å; F2613-A2659 HydrophobicContact CD2-CB 4.18Å; F2613-A2662 HydrophobicContact CB-CB 3.91Å; F2613-M2663 HydrophobicContact CB-CG 4.07Å; F2613-M2663 HydrophobicContact CD1-CG 3.86Å; F2613-M2663 HydrophobicContact CD1-SD 4.32Å; F2613-M2663 HydrophobicContact CD2-CE 3.67Å; F2613-M2663 HydrophobicContact CD2-CG 3.76Å; F2613-M2663 HydrophobicContact CD2-SD 4.07Å; F2613-M2663 HydrophobicContact CE1-CG 4.24Å; F2613-M2663 HydrophobicContact CE1-SD 4.08Å; F2613-M2663 HydrophobicContact CE2-CE 3.39Å; F2613-M2663 HydrophobicContact CE2-CG 4.18Å; F2613-M2663 HydrophobicContact CE2-SD 3.85Å; F2613-M2663 HydrophobicContact CG-CE 4.46Å; F2613-M2663 HydrophobicContact CG-CG 3.61Å; F2613-M2663 HydrophobicContact CG-SD 4.32Å; F2613-M2663 HydrophobicContact CZ-CE 3.96Å; F2613-M2663 HydrophobicContact CZ-CG 4.4Å; F2613-M2663 HydrophobicContact CZ-SD 3.86Å |
| 2614 | D | 83.8 | Confident | 83.4 | Confident | 100 Ų | 100 | 39.6 Ų | 39.6 | 54% | 0.535 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -81.9 | 39.3 | 177.9 | -164 | 41.8 | 0 | 0 | 0 | 112.6 | F2610 | F2610-D2614 HydrophobicContact CD2-CB 4.15Å; F2610-D2614 HydrophobicContact CE1-CB 4.3Å; F2610-D2614 HydrophobicContact CE2-CB 3.72Å; F2610-D2614 HydrophobicContact CZ-CB 3.79Å; F2610-D2614 VanDerWaalsContact CZ-OD2 3.23Å; F2610-D2614 WeakPolarHBondContact CZ-OD2 3.5Å; F2610-D2614 WeakPolarHBondContact O-CB 2.69Å; F2610-D2614 PolarHBondContact O-N 3Å |
| 2615 | T | 78.8 | Confident | 83.5 | Confident | 23 Ų | 23 | 37.6 Ų | 37.6 | 14% | 0.141 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -130 | 154.8 | 176.7 | 56.4 | 0 | 0 | 0 | 0 | 110.5 | K2575 V2578 C2611 L2612 F2613 Y2617 S2618 | K2575-T2615 HydrophobicContact CG-CG2 4.29Å; V2578-T2615 HydrophobicContact CG1-CG2 4.32Å; C2611-T2615 WeakPolarHBondContact O-CG2 3.39Å; L2612-T2615 PolarHBondContact O-OG1 2.77Å; F2613-T2615 PolarHBondContact O-N 3.32Å; T2615-Y2617 PolarHBondContact O-N 3.41Å; T2615-Y2617 VanDerWaalsContact O-N 3.17Å; T2615-S2618 WeakPolarHBondContact O-CB 3.48Å; T2615-S2618 PolarHBondContact O-N 3.36Å; T2615-S2618 PolarHBondContact O-OG 2.71Å; T2615-S2618 VanDerWaalsContact O-OG 3.1Å |
| 2616 | Q | 72.4 | Confident | 83.5 | Confident | 176 Ų | 176 | 38.8 Ų | 38.8 | 82% | 0.822 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -17.7 | -178.4 | -68.8 | 177 | -8.5 | 0 | 0 | 113.6 | ||
| 2617 | Y | 67.4 | Low | 83.7 | Confident | 127 Ų | 127 | 46.2 Ų | 46.2 | 50% | 0.498 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 24.9 | -177.5 | -56.5 | -73.7 | 0 | 0 | 0 | 112.6 | T2615 D2619 P2620 | T2615-Y2617 PolarHBondContact O-N 3.41Å; T2615-Y2617 VanDerWaalsContact O-N 3.17Å; Y2617-D2619 PolarHBondContact O-N 3Å; Y2617-P2620 WeakPolarHBondContact O-CD 3.37Å |
| 2618 | S | 75.2 | Confident | 83.7 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | trans | -78.7 | -13.9 | -173 | 59.2 | 0 | 0 | 0 | 0 | 114.8 | F2613 T2615 L2621 I2622 | F2613-S2618 VanDerWaalsContact O-CB 3.28Å; F2613-S2618 WeakPolarHBondContact O-CB 3.4Å; F2613-S2618 PolarHBondContact O-OG 3.28Å; F2613-S2618 VanDerWaalsContact O-OG 3.11Å; T2615-S2618 WeakPolarHBondContact O-CB 3.48Å; T2615-S2618 PolarHBondContact O-N 3.36Å; T2615-S2618 PolarHBondContact O-OG 2.71Å; T2615-S2618 VanDerWaalsContact O-OG 3.1Å; S2618-L2621 CarbonylContact O-C 3.44Å; S2618-L2621 WeakPolarHBondContact O-CA 3.42Å; S2618-L2621 WeakPolarHBondContact O-CB 3.49Å; S2618-L2621 PolarHBondContact O-N 3.27Å; S2618-I2622 WeakPolarHBondContact O-CG1 3.33Å; S2618-I2622 PolarHBondContact O-N 3.13Å | ||
| 2619 | D | 83.9 | Confident | 83.8 | Confident | 51 Ų | 51 | 49.9 Ų | 49.9 | 27% | 0.273 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -53.3 | -45 | -174.8 | -72.8 | -25.8 | 0 | 0 | 0 | 114.7 | Y2617 L2621 I2622 E2623 S2666 V2668 Y2669 | Y2617-D2619 PolarHBondContact O-N 3Å; D2619-L2621 VanDerWaalsContact C-N 3.3Å; D2619-L2621 PolarHBondContact O-N 3.08Å; D2619-I2622 PolarHBondContact O-N 3.23Å; D2619-E2623 PolarHBondContact O-N 3.38Å; D2619-S2666 PolarHBondContact OD1-OG 3.23Å; D2619-V2668 VanDerWaalsContact OD2-CG2 3.27Å; D2619-V2668 WeakPolarHBondContact OD2-CG2 3.23Å; D2619-Y2669 HydrophobicContact CB-CD2 4.34Å; D2619-Y2669 HydrophobicContact CB-CE2 4.17Å; D2619-Y2669 WeakPolarHBondContact O-CE2 3.21Å |
| 2620 | P | 84.9 | Confident | 83.8 | Confident | 50 Ų | 50 | 49.8 Ų | 49.8 | 33% | 0.325 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.1 | -35.1 | 176.2 | -17.8 | 30.7 | 0 | 0 | 0 | 112.6 | Y2617 E2623 Q2624 | Y2617-P2620 WeakPolarHBondContact O-CD 3.37Å; P2620-E2623 PolarHBondContact O-N 3.44Å; P2620-Q2624 WeakPolarHBondContact O-CG 3.39Å; P2620-Q2624 PolarHBondContact O-N 2.6Å |
| 2621 | L | 85.7 | Confident | 83.8 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.5 | -35.7 | 176.3 | -66 | 169.6 | 0 | 0 | 0 | 111.1 | V2578 I2587 L2612 F2613 S2618 D2619 Q2624 A2625 | V2578-L2621 HydrophobicContact CG1-CD1 3.85Å; I2587-L2621 HydrophobicContact CD1-CD2 4.43Å; I2587-L2621 HydrophobicContact CG1-CD2 4.46Å; L2612-L2621 HydrophobicContact CB-CD1 4.21Å; L2612-L2621 HydrophobicContact CD2-CD1 4.04Å; F2613-L2621 HydrophobicContact CD1-CB 4.27Å; F2613-L2621 HydrophobicContact CE1-CB 3.86Å; S2618-L2621 CarbonylContact O-C 3.44Å; S2618-L2621 WeakPolarHBondContact O-CA 3.42Å; S2618-L2621 WeakPolarHBondContact O-CB 3.49Å; S2618-L2621 PolarHBondContact O-N 3.27Å; D2619-L2621 VanDerWaalsContact C-N 3.3Å; D2619-L2621 PolarHBondContact O-N 3.08Å; L2621-Q2624 PolarHBondContact O-N 3.23Å; L2621-A2625 WeakPolarHBondContact O-CB 2.94Å; L2621-A2625 PolarHBondContact O-N 3.38Å |
| 2622 | I | 85.4 | Confident | 83.7 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.1 | -38 | 175.8 | -61.4 | 170 | 0 | 0 | 0 | 110.4 | F2613 S2618 D2619 Q2624 A2625 L2626 M2663 Y2669 V2673 | F2613-I2622 HydrophobicContact CD1-CG1 3.68Å; F2613-I2622 HydrophobicContact CE1-CG1 4.06Å; S2618-I2622 WeakPolarHBondContact O-CG1 3.33Å; S2618-I2622 PolarHBondContact O-N 3.13Å; D2619-I2622 PolarHBondContact O-N 3.23Å; I2622-Q2624 VanDerWaalsContact C-N 3.35Å; I2622-Q2624 PolarHBondContact O-N 2.93Å; I2622-A2625 WeakPolarHBondContact O-CB 3.5Å; I2622-A2625 PolarHBondContact O-N 2.91Å; I2622-L2626 HydrophobicContact CG2-CD1 4.4Å; I2622-L2626 WeakPolarHBondContact O-CG 3.34Å; I2622-L2626 PolarHBondContact O-N 3Å; I2622-M2663 HydrophobicContact CD1-CB 4.45Å; I2622-M2663 HydrophobicContact CD1-CG 4.43Å; I2622-M2663 HydrophobicContact CG1-CB 4.45Å; I2622-M2663 HydrophobicContact CG1-CG 4.03Å; I2622-Y2669 HydrophobicContact CB-CD2 4.21Å; I2622-Y2669 HydrophobicContact CG2-CD2 4.14Å; I2622-Y2669 HydrophobicContact CG2-CG 4.04Å; I2622-V2673 HydrophobicContact CG2-CG2 3.88Å |
| 2623 | E | 86.6 | Confident | 83.7 | Confident | 107 Ų | 107 | 47.7 Ų | 47.7 | 50% | 0.5 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.8 | -47 | 171.7 | -172.8 | 177.1 | -159.9 | 0 | 0 | 111.3 | D2619 P2620 A2625 L2626 K2627 Y2669 | D2619-E2623 PolarHBondContact O-N 3.38Å; P2620-E2623 PolarHBondContact O-N 3.44Å; E2623-A2625 VanDerWaalsContact C-N 3.32Å; E2623-A2625 PolarHBondContact O-N 3.38Å; E2623-L2626 PolarHBondContact O-N 3.27Å; E2623-K2627 WeakPolarHBondContact O-CB 3.49Å; E2623-K2627 PolarHBondContact O-N 3.16Å; E2623-Y2669 HydrophobicContact CB-CE1 4.4Å; E2623-Y2669 HydrophobicContact CB-CE2 4Å; E2623-Y2669 HydrophobicContact CG-CE1 4.46Å |
| 2624 | Q | 86.4 | Confident | 83.6 | Confident | 24 Ų | 24 | 47.6 Ų | 47.6 | 11% | 0.112 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.1 | -39.2 | 174.5 | -67.3 | 174.5 | 29 | 0 | 0 | 112.1 | S2584 I2587 P2620 L2621 I2622 L2626 K2627 H2628 | S2584-Q2624 PolarHBondContact O-NE2 2.93Å; S2584-Q2624 PolarHBondContact O-OE1 2.96Å; I2587-Q2624 HydrophobicContact CB-CB 3.82Å; I2587-Q2624 HydrophobicContact CG1-CB 3.64Å; I2587-Q2624 VanDerWaalsContact N-OE1 3.17Å; P2620-Q2624 WeakPolarHBondContact O-CG 3.39Å; P2620-Q2624 PolarHBondContact O-N 2.6Å; L2621-Q2624 PolarHBondContact O-N 3.23Å; I2622-Q2624 VanDerWaalsContact C-N 3.35Å; I2622-Q2624 PolarHBondContact O-N 2.93Å; Q2624-L2626 VanDerWaalsContact C-N 3.34Å; Q2624-L2626 PolarHBondContact O-N 3.14Å; Q2624-K2627 PolarHBondContact O-N 3.49Å; Q2624-H2628 PolarHBondContact O-CD2 3.29Å; Q2624-H2628 VanDerWaalsContact O-CD2 3.27Å; Q2624-H2628 PolarHBondContact O-N 3.46Å |
| 2625 | A | 86.2 | Confident | 83.6 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.8 | -39.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F2613 L2621 I2622 E2623 D2629 L2630 M2663 | F2613-A2625 HydrophobicContact CE1-CB 4.29Å; F2613-A2625 HydrophobicContact CZ-CB 4.04Å; L2621-A2625 WeakPolarHBondContact O-CB 2.94Å; L2621-A2625 PolarHBondContact O-N 3.38Å; I2622-A2625 WeakPolarHBondContact O-CB 3.5Å; I2622-A2625 PolarHBondContact O-N 2.91Å; E2623-A2625 VanDerWaalsContact C-N 3.32Å; E2623-A2625 PolarHBondContact O-N 3.38Å; A2625-D2629 PolarHBondContact O-N 3.45Å; A2625-L2630 HydrophobicContact CB-CB 3.83Å; A2625-L2630 HydrophobicContact CB-CD2 3.71Å; A2625-L2630 HydrophobicContact CB-CG 4.4Å; A2625-L2630 WeakPolarHBondContact O-CB 3.48Å; A2625-L2630 PolarHBondContact O-N 3.21Å; A2625-M2663 HydrophobicContact CB-SD 3.99Å |
| 2626 | L | 86.1 | Confident | 83.8 | Confident | 32 Ų | 32 | 47.7 Ų | 47.7 | 17% | 0.168 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70 | -39.7 | 173.9 | -70.8 | 170.6 | 0 | 0 | 0 | 112 | I2622 E2623 Q2624 I2631 Y2669 K2672 V2673 I2676 | I2622-L2626 HydrophobicContact CG2-CD1 4.4Å; I2622-L2626 WeakPolarHBondContact O-CG 3.34Å; I2622-L2626 PolarHBondContact O-N 3Å; E2623-L2626 PolarHBondContact O-N 3.27Å; Q2624-L2626 VanDerWaalsContact C-N 3.34Å; Q2624-L2626 PolarHBondContact O-N 3.14Å; L2626-I2631 HydrophobicContact CD2-CD1 3.8Å; L2626-Y2669 HydrophobicContact CD1-CD1 3.65Å; L2626-Y2669 HydrophobicContact CD1-CE1 4.42Å; L2626-Y2669 HydrophobicContact CD1-CG 4.06Å; L2626-K2672 HydrophobicContact CD1-CD 4.05Å; L2626-K2672 HydrophobicContact CD1-CG 4.42Å; L2626-K2672 HydrophobicContact CD2-CG 4.49Å; L2626-V2673 HydrophobicContact CD2-CG2 4.25Å; L2626-I2676 HydrophobicContact CD2-CD1 3.33Å |
| 2627 | K | 87.7 | Confident | 84.3 | Confident | 155 Ų | 155 | 40.7 Ų | 40.7 | 67% | 0.674 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -64.7 | -38.3 | -179.4 | -174.8 | -177.3 | 177.2 | -171.7 | 0 | 112.5 | E2623 Q2624 | E2623-K2627 WeakPolarHBondContact O-CB 3.49Å; E2623-K2627 PolarHBondContact O-N 3.16Å; Q2624-K2627 PolarHBondContact O-N 3.49Å |
| 2628 | H | 85.7 | Confident | 84.9 | Confident | 55 Ų | 55 | 34.8 Ų | 34.8 | 26% | 0.255 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 16.6 | -173.6 | -61.7 | -72 | 0 | 0 | 0 | 114.3 | D2585 S2588 I2591 Q2624 L2630 | D2585-H2628 IonicContact OD1-CD2 3.67Å; D2585-H2628 IonicContact OD1-CE1 2.85Å; D2585-H2628 IonicContact OD1-NE2 2.61Å; D2585-H2628 PolarHBondContact OD1-NE2 3.2Å; D2585-H2628 IonicContact OD2-CE1 2.91Å; D2585-H2628 IonicContact OD2-NE2 3.34Å; D2585-H2628 PolarHBondContact OD2-NE2 2.85Å; S2588-H2628 VanDerWaalsContact CB-CE1 3.46Å; S2588-H2628 WeakPolarHBondContact CB-CE1 3.39Å; S2588-H2628 WeakPolarHBondContact CB-NE2 3.22Å; S2588-H2628 PolarHBondContact OG-CE1 2.98Å; S2588-H2628 VanDerWaalsContact OG-CE1 3.23Å; S2588-H2628 PolarHBondContact OG-ND1 3.33Å; I2591-H2628 HydrophobicContact CD1-CB 3.89Å; I2591-H2628 WeakPolarHBondContact CD1-O 3.47Å; Q2624-H2628 PolarHBondContact O-CD2 3.29Å; Q2624-H2628 VanDerWaalsContact O-CD2 3.27Å; Q2624-H2628 PolarHBondContact O-N 3.46Å; H2628-L2630 VanDerWaalsContact C-N 3.31Å; H2628-L2630 PolarHBondContact O-N 2.8Å |
| 2629 | D | 88.4 | Confident | 85.2 | Confident | 63 Ų | 63 | 40.7 Ų | 40.7 | 34% | 0.337 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 41.6 | -179.1 | -171.2 | 36.8 | 0 | 0 | 0 | 114 | A2625 I2631 G2632 F2633 R2636 | A2625-D2629 PolarHBondContact O-N 3.45Å; D2629-I2631 PolarHBondContact O-N 3.35Å; D2629-G2632 PolarHBondContact O-N 3.44Å; D2629-G2632 WeakPolarHBondContact OD1-CA 3.5Å; D2629-G2632 PolarHBondContact OD1-N 3.46Å; D2629-G2632 VanDerWaalsContact OD1-N 3.15Å; D2629-F2633 WeakPolarHBondContact O-CB 3.31Å; D2629-F2633 PolarHBondContact O-N 2.87Å; D2629-R2636 IonicContact OD2-NH2 2.88Å; D2629-R2636 PolarHBondContact OD2-NH2 3.35Å |
| 2630 | L | 87.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.2 | -35.6 | 177 | -176.8 | 68.3 | 0 | 0 | 0 | 111.3 | I2587 I2591 L2609 F2613 A2625 H2628 F2633 I2634 M2663 | I2587-L2630 HydrophobicContact CD1-CD2 4.3Å; I2587-L2630 HydrophobicContact CG2-CB 4.01Å; I2587-L2630 HydrophobicContact CG2-CD1 4.2Å; I2587-L2630 HydrophobicContact CG2-CD2 3.89Å; I2587-L2630 HydrophobicContact CG2-CG 4.24Å; I2591-L2630 HydrophobicContact CD1-CB 4.18Å; I2591-L2630 HydrophobicContact CD1-CD1 3.95Å; I2591-L2630 HydrophobicContact CG1-CD1 3.68Å; L2609-L2630 HydrophobicContact CD2-CD2 4.04Å; F2613-L2630 HydrophobicContact CE2-CD2 3.82Å; F2613-L2630 HydrophobicContact CZ-CD2 3.57Å; A2625-L2630 HydrophobicContact CB-CB 3.83Å; A2625-L2630 HydrophobicContact CB-CD2 3.71Å; A2625-L2630 HydrophobicContact CB-CG 4.4Å; A2625-L2630 WeakPolarHBondContact O-CB 3.48Å; A2625-L2630 PolarHBondContact O-N 3.21Å; H2628-L2630 VanDerWaalsContact C-N 3.31Å; H2628-L2630 PolarHBondContact O-N 2.8Å; L2630-F2633 HydrophobicContact CD1-CD1 4.24Å; L2630-F2633 WeakPolarHBondContact O-CB 3.47Å; L2630-F2633 PolarHBondContact O-N 3.37Å; L2630-I2634 HydrophobicContact CD1-CD1 4.35Å; L2630-I2634 HydrophobicContact CD1-CG1 4.29Å; L2630-I2634 HydrophobicContact CD2-CD1 4.26Å; L2630-I2634 HydrophobicContact CG-CD1 3.87Å; L2630-I2634 HydrophobicContact CG-CG1 4.23Å; L2630-I2634 VanDerWaalsContact O-CG1 3.27Å; L2630-I2634 WeakPolarHBondContact O-CG1 3.48Å; L2630-I2634 PolarHBondContact O-N 2.94Å; L2630-M2663 HydrophobicContact CD2-CE 4.36Å |
| 2631 | I | 86.8 | Confident | 84.7 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -51.2 | 179 | -61.5 | 169.7 | 0 | 0 | 0 | 110.1 | L2626 D2629 F2633 I2634 L2635 L2660 V2673 I2676 L2677 | L2626-I2631 HydrophobicContact CD2-CD1 3.8Å; D2629-I2631 PolarHBondContact O-N 3.35Å; I2631-F2633 VanDerWaalsContact C-N 3.27Å; I2631-F2633 PolarHBondContact O-N 3.25Å; I2631-I2634 PolarHBondContact O-N 2.67Å; I2631-L2635 HydrophobicContact CG2-CD1 3.99Å; I2631-L2635 WeakPolarHBondContact O-CG 3Å; I2631-L2635 PolarHBondContact O-N 3.05Å; I2631-L2660 HydrophobicContact CB-CD2 4.38Å; I2631-L2660 HydrophobicContact CG1-CD2 4.2Å; I2631-L2660 HydrophobicContact CG2-CD2 4.08Å; I2631-V2673 HydrophobicContact CD1-CB 4.33Å; I2631-V2673 HydrophobicContact CD1-CG1 3.89Å; I2631-V2673 HydrophobicContact CD1-CG2 4.29Å; I2631-I2676 HydrophobicContact CB-CG2 4.31Å; I2631-I2676 HydrophobicContact CD1-CB 4.35Å; I2631-I2676 HydrophobicContact CD1-CD1 4.39Å; I2631-I2676 HydrophobicContact CD1-CG2 4.15Å; I2631-I2676 HydrophobicContact CG2-CG2 3.95Å; I2631-L2677 HydrophobicContact CG2-CD2 3.6Å; I2631-L2677 HydrophobicContact CG2-CG 4.09Å |
| 2632 | G | 85.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.6 | -32.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D2629 R2636 Y2680 | D2629-G2632 PolarHBondContact O-N 3.44Å; D2629-G2632 WeakPolarHBondContact OD1-CA 3.5Å; D2629-G2632 PolarHBondContact OD1-N 3.46Å; D2629-G2632 VanDerWaalsContact OD1-N 3.15Å; G2632-R2636 WeakPolarHBondContact O-CB 3.35Å; G2632-R2636 WeakPolarHBondContact O-CG 3.12Å; G2632-R2636 PolarHBondContact O-N 3.46Å; G2632-R2636 PolarHBondContact O-NE 2.95Å; G2632-Y2680 WeakPolarHBondContact CA-OH 3.45Å |
| 2633 | F | 85.7 | Confident | 83.8 | Confident | 22 Ų | 22 | 47.7 Ų | 47.7 | 10% | 0.096 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.8 | -49.9 | 173.7 | -176.5 | -106.4 | 0 | 0 | 0 | 112.4 | I2591 V2594 N2595 D2629 L2630 I2631 L2635 R2636 M2637 | I2591-F2633 HydrophobicContact CG1-CD1 4.27Å; I2591-F2633 HydrophobicContact CG2-CD1 4.37Å; I2591-F2633 HydrophobicContact CG2-CD2 4.09Å; I2591-F2633 HydrophobicContact CG2-CE1 4.38Å; I2591-F2633 HydrophobicContact CG2-CE2 4.14Å; I2591-F2633 HydrophobicContact CG2-CG 4.21Å; I2591-F2633 HydrophobicContact CG2-CZ 4.27Å; V2594-F2633 HydrophobicContact CB-CE1 4.17Å; V2594-F2633 HydrophobicContact CB-CZ 4.26Å; V2594-F2633 HydrophobicContact CG1-CE1 3.71Å; V2594-F2633 HydrophobicContact CG1-CZ 3.78Å; N2595-F2633 WeakPolarHBondContact OD1-CE2 3.37Å; N2595-F2633 WeakPolarHBondContact OD1-CZ 3.34Å; D2629-F2633 WeakPolarHBondContact O-CB 3.31Å; D2629-F2633 PolarHBondContact O-N 2.87Å; L2630-F2633 HydrophobicContact CD1-CD1 4.24Å; L2630-F2633 WeakPolarHBondContact O-CB 3.47Å; L2630-F2633 PolarHBondContact O-N 3.37Å; I2631-F2633 VanDerWaalsContact C-N 3.27Å; I2631-F2633 PolarHBondContact O-N 3.25Å; F2633-L2635 PolarHBondContact O-N 3.08Å; F2633-R2636 PolarHBondContact O-N 3.16Å; F2633-M2637 HydrophobicContact CD1-SD 3.98Å; F2633-M2637 HydrophobicContact CE1-CG 4.24Å; F2633-M2637 HydrophobicContact CE1-SD 3.36Å; F2633-M2637 WeakPolarHBondContact CE1-SD 3.48Å; F2633-M2637 HydrophobicContact CZ-CG 4.26Å; F2633-M2637 HydrophobicContact CZ-SD 3.73Å; F2633-M2637 WeakPolarHBondContact O-CG 3.18Å; F2633-M2637 PolarHBondContact O-N 3.38Å |
| 2634 | I | 84.9 | Confident | 83.2 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 178.2 | -68.5 | 169.6 | 0 | 0 | 0 | 110.6 | L2609 L2630 I2631 R2636 M2637 L2638 L2656 L2660 M2663 | L2609-I2634 HydrophobicContact CD1-CD1 3.95Å; L2609-I2634 HydrophobicContact CD1-CG1 4.24Å; L2630-I2634 HydrophobicContact CD1-CD1 4.35Å; L2630-I2634 HydrophobicContact CD1-CG1 4.29Å; L2630-I2634 HydrophobicContact CD2-CD1 4.26Å; L2630-I2634 HydrophobicContact CG-CD1 3.87Å; L2630-I2634 HydrophobicContact CG-CG1 4.23Å; L2630-I2634 VanDerWaalsContact O-CG1 3.27Å; L2630-I2634 WeakPolarHBondContact O-CG1 3.48Å; L2630-I2634 PolarHBondContact O-N 2.94Å; I2631-I2634 PolarHBondContact O-N 2.67Å; I2634-R2636 VanDerWaalsContact C-N 3.33Å; I2634-R2636 PolarHBondContact O-N 3.43Å; I2634-M2637 WeakPolarHBondContact O-CB 3.46Å; I2634-M2637 PolarHBondContact O-N 3.13Å; I2634-M2637 VanDerWaalsContact O-N 3.14Å; I2634-L2638 HydrophobicContact CG2-CD1 4.08Å; I2634-L2638 HydrophobicContact CG2-CG 4.32Å; I2634-L2638 WeakPolarHBondContact O-CG 3.34Å; I2634-L2638 PolarHBondContact O-N 3Å; I2634-L2656 HydrophobicContact CD1-CD2 4.39Å; I2634-L2656 HydrophobicContact CG1-CD2 4.14Å; I2634-L2656 HydrophobicContact CG2-CB 3.87Å; I2634-L2656 HydrophobicContact CG2-CD1 4.36Å; I2634-L2656 HydrophobicContact CG2-CD2 4.02Å; I2634-L2656 HydrophobicContact CG2-CG 4.31Å; I2634-L2660 HydrophobicContact CB-CD2 4.43Å; I2634-L2660 HydrophobicContact CD1-CD2 3.93Å; I2634-L2660 HydrophobicContact CD1-CG 4.36Å; I2634-L2660 HydrophobicContact CG2-CD1 3.82Å; I2634-L2660 HydrophobicContact CG2-CD2 4.38Å; I2634-L2660 HydrophobicContact CG2-CG 4.09Å; I2634-M2663 HydrophobicContact CD1-CE 4.16Å |
| 2635 | L | 84.7 | Confident | 82.7 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.9 | -37.3 | -179.5 | -68.4 | 168.9 | 0 | 0 | 0 | 112.2 | I2631 F2633 L2638 Q2639 L2660 L2677 Y2680 W2683 | I2631-L2635 HydrophobicContact CG2-CD1 3.99Å; I2631-L2635 WeakPolarHBondContact O-CG 3Å; I2631-L2635 PolarHBondContact O-N 3.05Å; F2633-L2635 PolarHBondContact O-N 3.08Å; L2635-L2638 HydrophobicContact CD2-CD1 4.33Å; L2635-L2638 PolarHBondContact O-N 3.22Å; L2635-Q2639 WeakPolarHBondContact O-CB 3.49Å; L2635-Q2639 PolarHBondContact O-N 3.18Å; L2635-L2660 HydrophobicContact CD2-CD1 3.97Å; L2635-L2660 HydrophobicContact CG-CD1 4.34Å; L2635-L2677 HydrophobicContact CD1-CD2 4.12Å; L2635-Y2680 HydrophobicContact CD1-CD1 3.82Å; L2635-Y2680 HydrophobicContact CD1-CD2 3.44Å; L2635-Y2680 VanDerWaalsContact CD1-CD2 3.44Å; L2635-Y2680 HydrophobicContact CD1-CE1 4.36Å; L2635-Y2680 HydrophobicContact CD1-CE2 4.04Å; L2635-Y2680 HydrophobicContact CD1-CG 3.32Å; L2635-W2683 HydrophobicContact CD2-CE3 4.06Å |
| 2636 | R | 83.9 | Confident | 82.3 | Confident | 124 Ų | 124 | 50.2 Ų | 50.2 | 47% | 0.468 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 171.4 | -83.6 | -178.7 | -84.8 | 167.2 | -10.7 | 111.9 | D2629 G2632 F2633 I2634 Q2639 N2640 | D2629-R2636 IonicContact OD2-NH2 2.88Å; D2629-R2636 PolarHBondContact OD2-NH2 3.35Å; G2632-R2636 WeakPolarHBondContact O-CB 3.35Å; G2632-R2636 WeakPolarHBondContact O-CG 3.12Å; G2632-R2636 PolarHBondContact O-N 3.46Å; G2632-R2636 PolarHBondContact O-NE 2.95Å; F2633-R2636 PolarHBondContact O-N 3.16Å; I2634-R2636 VanDerWaalsContact C-N 3.33Å; I2634-R2636 PolarHBondContact O-N 3.43Å; R2636-Q2639 PolarHBondContact O-N 3.35Å; R2636-N2640 WeakPolarHBondContact O-CB 3.4Å; R2636-N2640 PolarHBondContact O-N 3.4Å; R2636-N2640 PolarHBondContact O-ND2 2.99Å |
| 2637 | M | 82.3 | Confident | 81.6 | Confident | 29 Ų | 29 | 57.8 Ų | 57.8 | 14% | 0.143 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 174.1 | -71.5 | -175.1 | 72.4 | 0 | 0 | 112.1 | V2594 L2602 F2633 I2634 Q2639 G2641 F2642 | V2594-M2637 HydrophobicContact CG1-CE 3.96Å; V2594-M2637 HydrophobicContact CG1-SD 3.94Å; L2602-M2637 HydrophobicContact CD2-CE 4.37Å; L2602-M2637 HydrophobicContact CG-CE 4.45Å; F2633-M2637 HydrophobicContact CD1-SD 3.98Å; F2633-M2637 HydrophobicContact CE1-CG 4.24Å; F2633-M2637 HydrophobicContact CE1-SD 3.36Å; F2633-M2637 WeakPolarHBondContact CE1-SD 3.48Å; F2633-M2637 HydrophobicContact CZ-CG 4.26Å; F2633-M2637 HydrophobicContact CZ-SD 3.73Å; F2633-M2637 WeakPolarHBondContact O-CG 3.18Å; F2633-M2637 PolarHBondContact O-N 3.38Å; I2634-M2637 WeakPolarHBondContact O-CB 3.46Å; I2634-M2637 PolarHBondContact O-N 3.13Å; I2634-M2637 VanDerWaalsContact O-N 3.14Å; M2637-Q2639 VanDerWaalsContact C-N 3.28Å; M2637-Q2639 PolarHBondContact O-N 3.32Å; M2637-G2641 PolarHBondContact O-N 3.08Å; M2637-F2642 HydrophobicContact CE-CD1 4.5Å; M2637-F2642 HydrophobicContact CE-CE1 3.74Å; M2637-F2642 HydrophobicContact CE-CZ 4.44Å |
| 2638 | L | 80 | Confident | 81.1 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -39.7 | 176.2 | -69.5 | 174.5 | 0 | 0 | 0 | 111.5 | I2634 L2635 R2653 L2656 I2657 Y2686 | I2634-L2638 HydrophobicContact CG2-CD1 4.08Å; I2634-L2638 HydrophobicContact CG2-CG 4.32Å; I2634-L2638 WeakPolarHBondContact O-CG 3.34Å; I2634-L2638 PolarHBondContact O-N 3Å; L2635-L2638 HydrophobicContact CD2-CD1 4.33Å; L2635-L2638 PolarHBondContact O-N 3.22Å; L2638-R2653 HydrophobicContact CD2-CB 3.86Å; L2638-R2653 HydrophobicContact CD2-CG 3.62Å; L2638-L2656 HydrophobicContact CD2-CB 4.24Å; L2638-L2656 HydrophobicContact CD2-CD1 4.04Å; L2638-I2657 HydrophobicContact CD1-CD1 4.49Å; L2638-I2657 HydrophobicContact CD1-CG1 3.92Å; L2638-Y2686 HydrophobicContact CB-CE2 4.33Å; L2638-Y2686 HydrophobicContact CD1-CD2 4.45Å; L2638-Y2686 HydrophobicContact CD1-CE2 4.42Å |
| 2639 | Q | 81.3 | Confident | 80.7 | Confident | 134 Ų | 134 | 54.7 Ų | 54.7 | 63% | 0.626 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -72 | -48.2 | 179 | -174.5 | 178.9 | 10.9 | 0 | 0 | 113.2 | L2635 R2636 M2637 G2641 | L2635-Q2639 WeakPolarHBondContact O-CB 3.49Å; L2635-Q2639 PolarHBondContact O-N 3.18Å; R2636-Q2639 PolarHBondContact O-N 3.35Å; M2637-Q2639 VanDerWaalsContact C-N 3.28Å; M2637-Q2639 PolarHBondContact O-N 3.32Å; Q2639-G2641 PolarHBondContact O-N 3.1Å |
| 2640 | N | 81 | Confident | 80.2 | Confident | 133 Ų | 133 | 52.6 Ų | 52.6 | 71% | 0.711 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -69.2 | -20.9 | -178.5 | -68.7 | -13.1 | 0 | 0 | 0 | 112.1 | R2636 | R2636-N2640 WeakPolarHBondContact O-CB 3.4Å; R2636-N2640 PolarHBondContact O-N 3.4Å; R2636-N2640 PolarHBondContact O-ND2 2.99Å |
| 2641 | G | 76.6 | Confident | 80 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 26% | 0.258 | 29% | 0.286 | S | S | . | . | trans | 80 | 164.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M2637 Q2639 | M2637-G2641 PolarHBondContact O-N 3.08Å; Q2639-G2641 PolarHBondContact O-N 3.1Å | ||
| 2642 | F | 78.2 | Confident | 79.8 | Confident | 27 Ų | 27 | 54.5 Ų | 54.5 | 12% | 0.118 | 29% | 0.287 | C | S | . | . | trans | -89 | 146.3 | 177.5 | -67.2 | -85.9 | 0 | 0 | 0 | 109.8 | L2602 M2637 V2646 P2649 T2652 R2653 L2656 | L2602-F2642 HydrophobicContact CD2-CD1 4.14Å; M2637-F2642 HydrophobicContact CE-CD1 4.5Å; M2637-F2642 HydrophobicContact CE-CE1 3.74Å; M2637-F2642 HydrophobicContact CE-CZ 4.44Å; F2642-V2646 HydrophobicContact CB-CB 4.09Å; F2642-V2646 HydrophobicContact CB-CG2 4.02Å; F2642-V2646 HydrophobicContact CD1-CG2 4.3Å; F2642-P2649 HydrophobicContact CB-CB 4.09Å; F2642-P2649 HydrophobicContact CD2-CB 4.19Å; F2642-P2649 HydrophobicContact CG-CB 4.4Å; F2642-T2652 HydrophobicContact CD1-CG2 4.16Å; F2642-T2652 HydrophobicContact CE1-CG2 3.57Å; F2642-T2652 HydrophobicContact CE2-CG2 4.29Å; F2642-T2652 HydrophobicContact CZ-CG2 3.69Å; F2642-R2653 HydrophobicContact CD2-CG 4.14Å; F2642-R2653 HydrophobicContact CE2-CG 3.58Å; F2642-L2656 HydrophobicContact CE1-CD1 4.25Å; F2642-L2656 HydrophobicContact CE2-CD1 4.38Å; F2642-L2656 HydrophobicContact CZ-CD1 3.48Å; F2642-L2656 VanDerWaalsContact CZ-CD1 3.48Å | ||
| 2643 | P | 74.9 | Confident | 79.6 | Confident | 64 Ų | 64 | 58.7 Ų | 58.7 | 42% | 0.416 | 30% | 0.303 | S | S | . | . | trans | -55.6 | 150.3 | 170.8 | -18.1 | 29.2 | 0 | 0 | 0 | 110.5 | L2602 S2645 V2646 | L2602-P2643 HydrophobicContact CD2-CG 4.13Å; P2643-S2645 PolarHBondContact O-N 2.87Å; P2643-V2646 PolarHBondContact O-N 2.76Å | ||
| 2644 | S | 73.9 | Confident | 79.4 | Confident | 133 Ų | 133 | 57.7 Ų | 57.7 | 93% | 0.93 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -14.6 | 177.7 | -39.9 | 0 | 0 | 0 | 0 | 113.7 | V2646 | S2644-V2646 VanDerWaalsContact C-N 3.3Š|
| 2645 | S | 76.1 | Confident | 79.4 | Confident | 45 Ų | 45 | 57.9 Ų | 57.9 | 32% | 0.315 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -24.2 | 174.3 | 60.5 | 0 | 0 | 0 | 0 | 113.3 | G2599 E2600 P2643 R2647 | G2599-S2645 PolarHBondContact O-OG 3.21Å; E2600-S2645 WeakPolarHBondContact CA-O 3.3Å; E2600-S2645 WeakPolarHBondContact CG-O 3.44Å; P2643-S2645 PolarHBondContact O-N 2.87Å; S2645-R2647 PolarHBondContact O-N 3.48Å |
| 2646 | V | 77.7 | Confident | 79.4 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | trans | -76.9 | 114.1 | 179.4 | -179.2 | 0 | 0 | 0 | 0 | 109 | L2602 F2642 P2643 S2644 E2648 P2649 | L2602-V2646 HydrophobicContact CB-CG2 4Å; L2602-V2646 HydrophobicContact CD2-CG2 4.26Å; F2642-V2646 HydrophobicContact CB-CB 4.09Å; F2642-V2646 HydrophobicContact CB-CG2 4.02Å; F2642-V2646 HydrophobicContact CD1-CG2 4.3Å; P2643-V2646 PolarHBondContact O-N 2.76Å; S2644-V2646 VanDerWaalsContact C-N 3.3Å; V2646-E2648 PolarHBondContact O-N 2.98Å; V2646-P2649 HydrophobicContact CG1-CB 4.45Å; V2646-P2649 WeakPolarHBondContact O-CD 3.36Å | ||
| 2647 | R | 71.4 | Confident | 79.4 | Confident | 191 Ų | 191 | 52 Ų | 52 | 72% | 0.721 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -62.5 | -41 | -177 | -72.1 | -173.5 | -174.9 | 175.7 | 12.1 | 113.6 | E2600 S2645 P2649 | E2600-R2647 HydrophobicContact CG-CG 4.13Å; E2600-R2647 IonicContact OE1-CZ 3.24Å; E2600-R2647 VanDerWaalsContact OE1-CZ 3.24Å; E2600-R2647 IonicContact OE1-NE 2.76Å; E2600-R2647 PolarHBondContact OE1-NE 2.92Å; E2600-R2647 IonicContact OE1-NH2 2.87Å; E2600-R2647 PolarHBondContact OE1-NH2 3.23Å; E2600-R2647 IonicContact OE2-CZ 3.23Å; E2600-R2647 VanDerWaalsContact OE2-CZ 3.23Å; E2600-R2647 IonicContact OE2-NE 3.1Å; E2600-R2647 PolarHBondContact OE2-NE 3.41Å; E2600-R2647 VanDerWaalsContact OE2-NE 3.1Å; E2600-R2647 IonicContact OE2-NH2 3.08Å; E2600-R2647 PolarHBondContact OE2-NH2 2.97Å; E2600-R2647 VanDerWaalsContact OE2-NH2 3.08Å; S2645-R2647 PolarHBondContact O-N 3.48Å; R2647-P2649 VanDerWaalsContact C-CD 3.42Å; R2647-P2649 VanDerWaalsContact O-CD 3.26Å; R2647-P2649 WeakPolarHBondContact O-CD 3.43Å |
| 2648 | E | 76.9 | Confident | 79.5 | Confident | 101 Ų | 101 | 53.8 Ų | 53.8 | 47% | 0.472 | 28% | 0.284 | S | S | . | . | trans | -121.3 | 69.1 | -176.2 | -62.4 | -167.9 | -164.6 | 0 | 0 | 111.2 | V2646 G2650 Q2651 T2652 | V2646-E2648 PolarHBondContact O-N 2.98Å; E2648-G2650 PolarHBondContact O-N 3.22Å; E2648-Q2651 HydrophobicContact CB-CB 3.93Å; E2648-Q2651 PolarHBondContact O-N 2.92Å; E2648-Q2651 PolarHBondContact OE2-OE1 3.35Å; E2648-T2652 PolarHBondContact O-N 3.44Å; E2648-T2652 PolarHBondContact O-OG1 3.02Å | ||
| 2649 | P | 76.8 | Confident | 79.8 | Confident | 44 Ų | 44 | 53.7 Ų | 53.7 | 29% | 0.286 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.4 | -28.9 | -178.7 | 28.9 | -33.5 | 0 | 0 | 0 | 110.9 | F2642 V2646 R2647 T2652 R2653 | F2642-P2649 HydrophobicContact CB-CB 4.09Å; F2642-P2649 HydrophobicContact CD2-CB 4.19Å; F2642-P2649 HydrophobicContact CG-CB 4.4Å; V2646-P2649 HydrophobicContact CG1-CB 4.45Å; V2646-P2649 WeakPolarHBondContact O-CD 3.36Å; R2647-P2649 VanDerWaalsContact C-CD 3.42Å; R2647-P2649 VanDerWaalsContact O-CD 3.26Å; R2647-P2649 WeakPolarHBondContact O-CD 3.43Å; P2649-T2652 PolarHBondContact O-N 3.11Å; P2649-R2653 WeakPolarHBondContact O-CB 3.32Å; P2649-R2653 VanDerWaalsContact O-CG 3.23Å; P2649-R2653 WeakPolarHBondContact O-CG 3.42Å; P2649-R2653 PolarHBondContact O-N 3.22Å |
| 2650 | G | 79.1 | Confident | 80 | Confident | 19 Ų | 19 | 47.3 Ų | 47.3 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E2648 R2653 A2654 | E2648-G2650 PolarHBondContact O-N 3.22Å; G2650-R2653 PolarHBondContact O-N 3.39Å; G2650-A2654 WeakPolarHBondContact O-CB 3.4Å; G2650-A2654 PolarHBondContact O-N 3.35Å |
| 2651 | Q | 82.1 | Confident | 80.2 | Confident | 39 Ų | 39 | 43.2 Ų | 43.2 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.7 | -42.5 | 175.6 | -175 | -177.5 | 42.5 | 0 | 0 | 111.4 | E2648 R2653 A2654 Y2655 F2694 | E2648-Q2651 HydrophobicContact CB-CB 3.93Å; E2648-Q2651 PolarHBondContact O-N 2.92Å; E2648-Q2651 PolarHBondContact OE2-OE1 3.35Å; Q2651-R2653 PolarHBondContact O-N 2.91Å; Q2651-A2654 WeakPolarHBondContact O-CB 3.27Å; Q2651-A2654 PolarHBondContact O-N 3.47Å; Q2651-A2654 VanDerWaalsContact O-N 3.17Å; Q2651-Y2655 HydrophobicContact CG-CD2 3.65Å; Q2651-Y2655 HydrophobicContact CG-CE2 3.54Å; Q2651-Y2655 WeakPolarHBondContact O-CD2 3.43Å; Q2651-Y2655 PolarHBondContact O-N 3.03Å; Q2651-F2694 WeakPolarHBondContact CA-O 3.12Å; Q2651-F2694 VanDerWaalsContact CB-O 3.25Å; Q2651-F2694 WeakPolarHBondContact CB-O 3.16Å; Q2651-F2694 VanDerWaalsContact CG-O 3.26Å; Q2651-F2694 WeakPolarHBondContact CG-O 3.27Å |
| 2652 | T | 82.1 | Confident | 80.6 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.2 | -47.9 | 177.2 | -50.7 | 0 | 0 | 0 | 0 | 111.1 | G2603 F2642 E2648 P2649 A2654 Y2655 L2656 | G2603-T2652 VanDerWaalsContact CA-OG1 3.22Å; G2603-T2652 WeakPolarHBondContact CA-OG1 3.47Å; G2603-T2652 PolarHBondContact O-OG1 3.35Å; F2642-T2652 HydrophobicContact CD1-CG2 4.16Å; F2642-T2652 HydrophobicContact CE1-CG2 3.57Å; F2642-T2652 HydrophobicContact CE2-CG2 4.29Å; F2642-T2652 HydrophobicContact CZ-CG2 3.69Å; E2648-T2652 PolarHBondContact O-N 3.44Å; E2648-T2652 PolarHBondContact O-OG1 3.02Å; P2649-T2652 PolarHBondContact O-N 3.11Å; T2652-A2654 VanDerWaalsContact C-N 3.33Å; T2652-A2654 PolarHBondContact O-N 3.22Å; T2652-Y2655 PolarHBondContact O-N 3.38Å; T2652-L2656 HydrophobicContact CG2-CD1 4.27Å; T2652-L2656 VanDerWaalsContact O-CG 3.32Å; T2652-L2656 WeakPolarHBondContact O-CG 3.45Å; T2652-L2656 PolarHBondContact O-N 2.92Å |
| 2653 | R | 82.4 | Confident | 80.9 | Confident | 88 Ų | 88 | 41.1 Ų | 41.1 | 33% | 0.332 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.5 | -46.8 | 174.1 | -74.1 | 176.3 | 176.5 | 139.2 | -0.5 | 111.3 | L2638 F2642 P2649 G2650 Q2651 Y2655 L2656 I2657 | L2638-R2653 HydrophobicContact CD2-CB 3.86Å; L2638-R2653 HydrophobicContact CD2-CG 3.62Å; F2642-R2653 HydrophobicContact CD2-CG 4.14Å; F2642-R2653 HydrophobicContact CE2-CG 3.58Å; P2649-R2653 WeakPolarHBondContact O-CB 3.32Å; P2649-R2653 VanDerWaalsContact O-CG 3.23Å; P2649-R2653 WeakPolarHBondContact O-CG 3.42Å; P2649-R2653 PolarHBondContact O-N 3.22Å; G2650-R2653 PolarHBondContact O-N 3.39Å; Q2651-R2653 PolarHBondContact O-N 2.91Å; R2653-Y2655 PolarHBondContact O-N 3.26Å; R2653-L2656 PolarHBondContact O-N 3.3Å; R2653-I2657 WeakPolarHBondContact O-CD1 3.42Å; R2653-I2657 VanDerWaalsContact O-CG1 3.24Å; R2653-I2657 WeakPolarHBondContact O-CG1 3.32Å; R2653-I2657 PolarHBondContact O-N 2.88Å |
| 2654 | A | 81.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.3 | -45.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G2650 Q2651 T2652 I2657 K2658 H2691 F2694 I2695 | G2650-A2654 WeakPolarHBondContact O-CB 3.4Å; G2650-A2654 PolarHBondContact O-N 3.35Å; Q2651-A2654 WeakPolarHBondContact O-CB 3.27Å; Q2651-A2654 PolarHBondContact O-N 3.47Å; Q2651-A2654 VanDerWaalsContact O-N 3.17Å; T2652-A2654 VanDerWaalsContact C-N 3.33Å; T2652-A2654 PolarHBondContact O-N 3.22Å; A2654-I2657 PolarHBondContact O-N 3.15Å; A2654-K2658 PolarHBondContact O-N 3.34Å; A2654-H2691 HydrophobicContact CB-CB 3.59Å; A2654-F2694 HydrophobicContact CB-CB 3.59Å; A2654-F2694 HydrophobicContact CB-CG 4.44Å; A2654-I2695 HydrophobicContact CB-CD1 3.85Å; A2654-I2695 HydrophobicContact CB-CG1 3.68Å |
| 2655 | Y | 84.1 | Confident | 81.8 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 2% | 0.024 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.7 | -37.6 | 176.5 | -79.3 | -60.6 | 0 | 0 | 0 | 113.1 | G2606 E2607 F2610 Q2651 T2652 R2653 I2657 K2658 A2659 I2695 | G2606-Y2655 WeakPolarHBondContact O-CB 3.41Å; E2607-Y2655 HydrophobicContact CB-CD1 4.29Å; E2607-Y2655 HydrophobicContact CB-CD2 3.75Å; E2607-Y2655 HydrophobicContact CB-CE1 4.36Å; E2607-Y2655 HydrophobicContact CB-CE2 3.79Å; E2607-Y2655 HydrophobicContact CB-CG 3.99Å; E2607-Y2655 HydrophobicContact CG-CD1 4.35Å; E2607-Y2655 HydrophobicContact CG-CD2 4.33Å; E2607-Y2655 HydrophobicContact CG-CE1 3.99Å; E2607-Y2655 HydrophobicContact CG-CE2 3.93Å; E2607-Y2655 VanDerWaalsContact OE1-CZ 3.29Å; E2607-Y2655 PolarHBondContact OE1-OH 3.45Å; F2610-Y2655 HydrophobicContact CB-CD1 4.19Å; F2610-Y2655 AromaticContact CD1-CD1 3.95Å; F2610-Y2655 HydrophobicContact CD1-CD1 3.95Å; F2610-Y2655 HydrophobicContact CD1-CE1 4.08Å; F2610-Y2655 HydrophobicContact CG-CD1 4.2Å; Q2651-Y2655 HydrophobicContact CG-CD2 3.65Å; Q2651-Y2655 HydrophobicContact CG-CE2 3.54Å; Q2651-Y2655 WeakPolarHBondContact O-CD2 3.43Å; Q2651-Y2655 PolarHBondContact O-N 3.03Å; T2652-Y2655 PolarHBondContact O-N 3.38Å; R2653-Y2655 PolarHBondContact O-N 3.26Å; Y2655-I2657 VanDerWaalsContact C-N 3.3Å; Y2655-I2657 PolarHBondContact O-N 2.75Å; Y2655-K2658 CarbonylContact O-C 3.52Å; Y2655-K2658 WeakPolarHBondContact O-CB 3.37Å; Y2655-K2658 PolarHBondContact O-N 2.85Å; Y2655-A2659 WeakPolarHBondContact O-CB 3.26Å; Y2655-A2659 PolarHBondContact O-N 3.27Å; Y2655-I2695 HydrophobicContact CD1-CD1 4.27Å; Y2655-I2695 HydrophobicContact CD1-CG1 4.47Å; Y2655-I2695 HydrophobicContact CD1-CG2 4.47Å; Y2655-I2695 HydrophobicContact CE1-CD1 4.4Å; Y2655-I2695 HydrophobicContact CE1-CG1 4.38Å; Y2655-I2695 HydrophobicContact CE1-CG2 3.61Å; Y2655-I2695 HydrophobicContact CE2-CG2 4.29Å; Y2655-I2695 WeakPolarHBondContact OH-CG2 3.5Å |
| 2656 | L | 84.4 | Confident | 82.1 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.6 | -40.1 | 173.9 | -74.7 | 172.5 | 0 | 0 | 0 | 112.1 | L2609 I2634 L2638 F2642 T2652 R2653 A2659 L2660 | L2609-L2656 HydrophobicContact CD1-CD2 3.72Å; I2634-L2656 HydrophobicContact CD1-CD2 4.39Å; I2634-L2656 HydrophobicContact CG1-CD2 4.14Å; I2634-L2656 HydrophobicContact CG2-CB 3.87Å; I2634-L2656 HydrophobicContact CG2-CD1 4.36Å; I2634-L2656 HydrophobicContact CG2-CD2 4.02Å; I2634-L2656 HydrophobicContact CG2-CG 4.31Å; L2638-L2656 HydrophobicContact CD2-CB 4.24Å; L2638-L2656 HydrophobicContact CD2-CD1 4.04Å; F2642-L2656 HydrophobicContact CE1-CD1 4.25Å; F2642-L2656 HydrophobicContact CE2-CD1 4.38Å; F2642-L2656 HydrophobicContact CZ-CD1 3.48Å; F2642-L2656 VanDerWaalsContact CZ-CD1 3.48Å; T2652-L2656 HydrophobicContact CG2-CD1 4.27Å; T2652-L2656 VanDerWaalsContact O-CG 3.32Å; T2652-L2656 WeakPolarHBondContact O-CG 3.45Å; T2652-L2656 PolarHBondContact O-N 2.92Å; R2653-L2656 PolarHBondContact O-N 3.3Å; L2656-A2659 WeakPolarHBondContact O-CB 3.25Å; L2656-A2659 PolarHBondContact O-N 3.39Å; L2656-L2660 WeakPolarHBondContact O-CG 3.36Å; L2656-L2660 PolarHBondContact O-N 2.96Å |
| 2657 | I | 85 | Confident | 82.2 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.1 | -39.2 | 176.1 | -65 | 159 | 0 | 0 | 0 | 110.2 | L2638 R2653 A2654 Y2655 A2659 L2660 K2661 W2683 Y2686 H2691 | L2638-I2657 HydrophobicContact CD1-CD1 4.49Å; L2638-I2657 HydrophobicContact CD1-CG1 3.92Å; R2653-I2657 WeakPolarHBondContact O-CD1 3.42Å; R2653-I2657 VanDerWaalsContact O-CG1 3.24Å; R2653-I2657 WeakPolarHBondContact O-CG1 3.32Å; R2653-I2657 PolarHBondContact O-N 2.88Å; A2654-I2657 PolarHBondContact O-N 3.15Å; Y2655-I2657 VanDerWaalsContact C-N 3.3Å; Y2655-I2657 PolarHBondContact O-N 2.75Å; I2657-A2659 VanDerWaalsContact C-N 3.32Å; I2657-A2659 PolarHBondContact O-N 2.93Å; I2657-L2660 PolarHBondContact O-N 3.36Å; I2657-K2661 HydrophobicContact CG2-CD 4.38Å; I2657-K2661 WeakPolarHBondContact O-CG 3.18Å; I2657-K2661 PolarHBondContact O-N 3.27Å; I2657-W2683 HydrophobicContact CG2-CH2 4.09Å; I2657-W2683 HydrophobicContact CG2-CZ3 4.09Å; I2657-Y2686 HydrophobicContact CD1-CD1 3.33Å; I2657-Y2686 HydrophobicContact CD1-CE1 4.07Å; I2657-Y2686 HydrophobicContact CD1-CG 3.72Å; I2657-Y2686 HydrophobicContact CG1-CD1 4.32Å; I2657-Y2686 HydrophobicContact CG1-CG 4.25Å; I2657-H2691 VanDerWaalsContact CD1-CE1 3.45Å; I2657-H2691 WeakPolarHBondContact CD1-CE1 3.36Å; I2657-H2691 WeakPolarHBondContact CD1-NE2 3.49Å |
| 2658 | K | 84.1 | Confident | 82.8 | Confident | 66 Ų | 66 | 41.7 Ų | 41.7 | 29% | 0.287 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.5 | -37.2 | 170.9 | -82.2 | -162.2 | 176.9 | 170.1 | 0 | 112.6 | F2610 A2654 Y2655 K2661 A2662 I2695 | F2610-K2658 HydrophobicContact CD2-CB 3.59Å; F2610-K2658 HydrophobicContact CD2-CD 4.46Å; F2610-K2658 HydrophobicContact CE2-CB 3.88Å; F2610-K2658 HydrophobicContact CE2-CD 4.13Å; F2610-K2658 HydrophobicContact CG-CB 4.2Å; F2610-K2658 HydrophobicContact CZ-CD 4.22Å; A2654-K2658 PolarHBondContact O-N 3.34Å; Y2655-K2658 CarbonylContact O-C 3.52Å; Y2655-K2658 WeakPolarHBondContact O-CB 3.37Å; Y2655-K2658 PolarHBondContact O-N 2.85Å; K2658-K2661 CarbonylContact O-C 3.6Å; K2658-K2661 PolarHBondContact O-N 3.49Å; K2658-A2662 WeakPolarHBondContact O-CB 3.42Å; K2658-A2662 PolarHBondContact O-N 3.3Å; K2658-I2695 HydrophobicContact CD-CD1 3.43Å; K2658-I2695 VanDerWaalsContact CD-CD1 3.43Å; K2658-I2695 HydrophobicContact CG-CD1 3.99Å; K2658-I2695 VanDerWaalsContact NZ-CD1 3.27Å |
| 2659 | A | 85.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.9 | -45.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L2609 F2610 F2613 Y2655 L2656 I2657 K2661 A2662 M2663 | L2609-A2659 HydrophobicContact CB-CB 3.96Å; F2610-A2659 HydrophobicContact CB-CB 4.19Å; F2613-A2659 HydrophobicContact CD2-CB 4.18Å; Y2655-A2659 WeakPolarHBondContact O-CB 3.26Å; Y2655-A2659 PolarHBondContact O-N 3.27Å; L2656-A2659 WeakPolarHBondContact O-CB 3.25Å; L2656-A2659 PolarHBondContact O-N 3.39Å; I2657-A2659 VanDerWaalsContact C-N 3.32Å; I2657-A2659 PolarHBondContact O-N 2.93Å; A2659-K2661 VanDerWaalsContact C-N 3.34Å; A2659-K2661 PolarHBondContact O-N 2.75Å; A2659-A2662 WeakPolarHBondContact O-CB 3.34Å; A2659-A2662 PolarHBondContact O-N 2.96Å; A2659-M2663 WeakPolarHBondContact O-CG 3.4Å; A2659-M2663 PolarHBondContact O-N 3.46Å |
| 2660 | L | 86.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59 | -43.5 | 172.7 | -69.2 | 175.5 | 0 | 0 | 0 | 111.8 | I2631 I2634 L2635 L2656 I2657 M2663 Q2664 L2677 W2683 | I2631-L2660 HydrophobicContact CB-CD2 4.38Å; I2631-L2660 HydrophobicContact CG1-CD2 4.2Å; I2631-L2660 HydrophobicContact CG2-CD2 4.08Å; I2634-L2660 HydrophobicContact CB-CD2 4.43Å; I2634-L2660 HydrophobicContact CD1-CD2 3.93Å; I2634-L2660 HydrophobicContact CD1-CG 4.36Å; I2634-L2660 HydrophobicContact CG2-CD1 3.82Å; I2634-L2660 HydrophobicContact CG2-CD2 4.38Å; I2634-L2660 HydrophobicContact CG2-CG 4.09Å; L2635-L2660 HydrophobicContact CD2-CD1 3.97Å; L2635-L2660 HydrophobicContact CG-CD1 4.34Å; L2656-L2660 WeakPolarHBondContact O-CG 3.36Å; L2656-L2660 PolarHBondContact O-N 2.96Å; I2657-L2660 PolarHBondContact O-N 3.36Å; L2660-M2663 HydrophobicContact CD2-CE 3.83Å; L2660-M2663 PolarHBondContact O-N 2.95Å; L2660-Q2664 WeakPolarHBondContact O-CG 3.36Å; L2660-Q2664 PolarHBondContact O-N 3.37Å; L2660-L2677 HydrophobicContact CB-CD1 4.4Å; L2660-L2677 HydrophobicContact CB-CD2 4.4Å; L2660-L2677 HydrophobicContact CD1-CD2 3.96Å; L2660-L2677 HydrophobicContact CD2-CD2 4.07Å; L2660-L2677 HydrophobicContact CG-CD2 4.36Å; L2660-W2683 HydrophobicContact CB-CH2 3.8Å; L2660-W2683 HydrophobicContact CB-CZ3 3.98Å; L2660-W2683 HydrophobicContact CD1-CE3 4.1Å; L2660-W2683 HydrophobicContact CD1-CH2 4.25Å; L2660-W2683 HydrophobicContact CD1-CZ3 3.54Å; L2660-W2683 HydrophobicContact CG-CZ3 4.43Å |
| 2661 | K | 85.4 | Confident | 83.5 | Confident | 47 Ų | 47 | 40.5 Ų | 40.5 | 20% | 0.204 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.1 | -39.7 | 175.6 | -71.7 | 179.9 | 177.6 | -173.2 | 0 | 112.5 | I2657 K2658 A2659 M2663 Q2664 Y2665 W2683 R2687 Q2689 | I2657-K2661 HydrophobicContact CG2-CD 4.38Å; I2657-K2661 WeakPolarHBondContact O-CG 3.18Å; I2657-K2661 PolarHBondContact O-N 3.27Å; K2658-K2661 CarbonylContact O-C 3.6Å; K2658-K2661 PolarHBondContact O-N 3.49Å; A2659-K2661 VanDerWaalsContact C-N 3.34Å; A2659-K2661 PolarHBondContact O-N 2.75Å; K2661-M2663 VanDerWaalsContact C-N 3.28Å; K2661-M2663 PolarHBondContact O-N 3.2Å; K2661-Q2664 WeakPolarHBondContact O-CA 3.37Å; K2661-Q2664 WeakPolarHBondContact O-CB 3.38Å; K2661-Q2664 PolarHBondContact O-N 2.88Å; K2661-Y2665 HydrophobicContact CB-CE2 4.35Å; K2661-Y2665 WeakPolarHBondContact O-CD2 3.43Å; K2661-Y2665 PolarHBondContact O-N 3.17Å; K2661-W2683 HydrophobicContact CG-CH2 4.09Å; K2661-W2683 HydrophobicContact CG-CZ2 4.34Å; K2661-R2687 WeakPolarHBondContact CE-O 3.26Å; K2661-R2687 PolarHBondContact NZ-O 2.92Å; K2661-Q2689 PolarHBondContact NZ-O 3.42Å |
| 2662 | A | 84.9 | Confident | 83.7 | Confident | 8 Ų | 8 | 44.3 Ų | 44.3 | 7% | 0.066 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.4 | -41.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | F2610 F2613 K2658 A2659 Q2664 Y2665 | F2610-A2662 HydrophobicContact CD2-CB 4.33Å; F2610-A2662 HydrophobicContact CE2-CB 4.37Å; F2613-A2662 HydrophobicContact CB-CB 3.91Å; K2658-A2662 WeakPolarHBondContact O-CB 3.42Å; K2658-A2662 PolarHBondContact O-N 3.3Å; A2659-A2662 WeakPolarHBondContact O-CB 3.34Å; A2659-A2662 PolarHBondContact O-N 2.96Å; A2662-Q2664 VanDerWaalsContact C-N 3.3Å; A2662-Q2664 PolarHBondContact O-N 3.45Å; A2662-Y2665 PolarHBondContact O-N 3.45Å; A2662-Y2665 VanDerWaalsContact O-N 3.11Å |
| 2663 | M | 85.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.7 | -32.2 | 173.7 | -64.8 | -170.6 | -110.5 | 0 | 0 | 113.1 | F2613 I2622 A2625 L2630 I2634 A2659 L2660 K2661 Y2665 S2666 G2670 V2673 | F2613-M2663 HydrophobicContact CB-CG 4.07Å; F2613-M2663 HydrophobicContact CD1-CG 3.86Å; F2613-M2663 HydrophobicContact CD1-SD 4.32Å; F2613-M2663 HydrophobicContact CD2-CE 3.67Å; F2613-M2663 HydrophobicContact CD2-CG 3.76Å; F2613-M2663 HydrophobicContact CD2-SD 4.07Å; F2613-M2663 HydrophobicContact CE1-CG 4.24Å; F2613-M2663 HydrophobicContact CE1-SD 4.08Å; F2613-M2663 HydrophobicContact CE2-CE 3.39Å; F2613-M2663 HydrophobicContact CE2-CG 4.18Å; F2613-M2663 HydrophobicContact CE2-SD 3.85Å; F2613-M2663 HydrophobicContact CG-CE 4.46Å; F2613-M2663 HydrophobicContact CG-CG 3.61Å; F2613-M2663 HydrophobicContact CG-SD 4.32Å; F2613-M2663 HydrophobicContact CZ-CE 3.96Å; F2613-M2663 HydrophobicContact CZ-CG 4.4Å; F2613-M2663 HydrophobicContact CZ-SD 3.86Å; I2622-M2663 HydrophobicContact CD1-CB 4.45Å; I2622-M2663 HydrophobicContact CD1-CG 4.43Å; I2622-M2663 HydrophobicContact CG1-CB 4.45Å; I2622-M2663 HydrophobicContact CG1-CG 4.03Å; A2625-M2663 HydrophobicContact CB-SD 3.99Å; L2630-M2663 HydrophobicContact CD2-CE 4.36Å; I2634-M2663 HydrophobicContact CD1-CE 4.16Å; A2659-M2663 WeakPolarHBondContact O-CG 3.4Å; A2659-M2663 PolarHBondContact O-N 3.46Å; L2660-M2663 HydrophobicContact CD2-CE 3.83Å; L2660-M2663 PolarHBondContact O-N 2.95Å; K2661-M2663 VanDerWaalsContact C-N 3.28Å; K2661-M2663 PolarHBondContact O-N 3.2Å; M2663-Y2665 VanDerWaalsContact C-N 3.26Å; M2663-Y2665 PolarHBondContact O-N 3.27Å; M2663-S2666 PolarHBondContact O-N 3.45Å; M2663-G2670 WeakPolarHBondContact O-CA 3.48Å; M2663-V2673 HydrophobicContact CB-CB 4.48Å; M2663-V2673 HydrophobicContact CB-CG1 3.79Å; M2663-V2673 HydrophobicContact CB-CG2 4.08Å |
| 2664 | Q | 85.3 | Confident | 83.9 | Confident | 50 Ų | 50 | 41.9 Ų | 41.9 | 23% | 0.234 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.6 | -25 | 174.7 | -64.1 | -175.7 | -67.5 | 0 | 0 | 112.9 | L2660 K2661 A2662 S2666 G2670 V2673 T2674 L2677 | L2660-Q2664 WeakPolarHBondContact O-CG 3.36Å; L2660-Q2664 PolarHBondContact O-N 3.37Å; K2661-Q2664 WeakPolarHBondContact O-CA 3.37Å; K2661-Q2664 WeakPolarHBondContact O-CB 3.38Å; K2661-Q2664 PolarHBondContact O-N 2.88Å; A2662-Q2664 VanDerWaalsContact C-N 3.3Å; A2662-Q2664 PolarHBondContact O-N 3.45Å; Q2664-S2666 VanDerWaalsContact C-N 3.3Å; Q2664-G2670 WeakPolarHBondContact O-CA 3.2Å; Q2664-V2673 HydrophobicContact CG-CG1 3.91Å; Q2664-T2674 PolarHBondContact NE2-OG1 3.49Å; Q2664-T2674 VanDerWaalsContact NE2-OG1 3.1Å; Q2664-L2677 HydrophobicContact CG-CD1 3.67Å |
| 2665 | Y | 82.3 | Confident | 84.1 | Confident | 191 Ų | 191 | 44.9 Ų | 44.9 | 75% | 0.749 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -7.3 | 177.5 | -64 | -55.7 | 0 | 0 | 0 | 113.7 | K2661 A2662 M2663 A2667 | K2661-Y2665 HydrophobicContact CB-CE2 4.35Å; K2661-Y2665 WeakPolarHBondContact O-CD2 3.43Å; K2661-Y2665 PolarHBondContact O-N 3.17Å; A2662-Y2665 PolarHBondContact O-N 3.45Å; A2662-Y2665 VanDerWaalsContact O-N 3.11Å; M2663-Y2665 VanDerWaalsContact C-N 3.26Å; M2663-Y2665 PolarHBondContact O-N 3.27Å; Y2665-A2667 PolarHBondContact O-N 2.91Å |
| 2666 | S | 82 | Confident | 84.1 | Confident | 13 Ų | 13 | 46.8 Ų | 46.8 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | trans | -62.1 | 129.5 | 172 | 162.4 | 0 | 0 | 0 | 0 | 110.8 | D2619 M2663 Q2664 V2668 Y2669 G2670 | D2619-S2666 PolarHBondContact OD1-OG 3.23Å; M2663-S2666 PolarHBondContact O-N 3.45Å; Q2664-S2666 VanDerWaalsContact C-N 3.3Å; S2666-V2668 PolarHBondContact O-N 2.88Å; S2666-V2668 PolarHBondContact OG-N 3.02Å; S2666-Y2669 PolarHBondContact OG-N 3.48Å; S2666-Y2669 VanDerWaalsContact OG-N 3.08Å; S2666-G2670 WeakPolarHBondContact O-CA 3.45Å; S2666-G2670 PolarHBondContact O-N 3.28Å | ||
| 2667 | A | 79.6 | Confident | 84 | Confident | 106 Ų | 106 | 46.7 Ų | 46.7 | 88% | 0.876 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -27.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y2665 | Y2665-A2667 PolarHBondContact O-N 2.91Š|
| 2668 | V | 83.2 | Confident | 83.9 | Confident | 93 Ų | 93 | 52.2 Ų | 52.2 | 56% | 0.564 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -48.8 | -175.1 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | D2619 S2666 | D2619-V2668 VanDerWaalsContact OD2-CG2 3.27Å; D2619-V2668 WeakPolarHBondContact OD2-CG2 3.23Å; S2666-V2668 PolarHBondContact O-N 2.88Å; S2666-V2668 PolarHBondContact OG-N 3.02Å |
| 2669 | Y | 83.9 | Confident | 83.8 | Confident | 50 Ų | 50 | 54 Ų | 54 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -8.5 | -171.8 | -64.1 | -72.7 | 0 | 0 | 0 | 113.9 | D2619 I2622 E2623 L2626 S2666 A2671 K2672 V2673 | D2619-Y2669 HydrophobicContact CB-CD2 4.34Å; D2619-Y2669 HydrophobicContact CB-CE2 4.17Å; D2619-Y2669 WeakPolarHBondContact O-CE2 3.21Å; I2622-Y2669 HydrophobicContact CB-CD2 4.21Å; I2622-Y2669 HydrophobicContact CG2-CD2 4.14Å; I2622-Y2669 HydrophobicContact CG2-CG 4.04Å; E2623-Y2669 HydrophobicContact CB-CE1 4.4Å; E2623-Y2669 HydrophobicContact CB-CE2 4Å; E2623-Y2669 HydrophobicContact CG-CE1 4.46Å; L2626-Y2669 HydrophobicContact CD1-CD1 3.65Å; L2626-Y2669 HydrophobicContact CD1-CE1 4.42Å; L2626-Y2669 HydrophobicContact CD1-CG 4.06Å; S2666-Y2669 PolarHBondContact OG-N 3.48Å; S2666-Y2669 VanDerWaalsContact OG-N 3.08Å; Y2669-A2671 VanDerWaalsContact C-N 3.32Å; Y2669-A2671 PolarHBondContact O-N 3.3Å; Y2669-K2672 WeakPolarHBondContact O-CB 3.37Å; Y2669-K2672 PolarHBondContact O-N 3.31Å; Y2669-V2673 WeakPolarHBondContact O-CG2 3.24Å; Y2669-V2673 PolarHBondContact O-N 3.04Å |
| 2670 | G | 82.1 | Confident | 83.6 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.4 | -38.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | M2663 Q2664 S2666 K2672 V2673 T2674 | M2663-G2670 WeakPolarHBondContact O-CA 3.48Å; Q2664-G2670 WeakPolarHBondContact O-CA 3.2Å; S2666-G2670 WeakPolarHBondContact O-CA 3.45Å; S2666-G2670 PolarHBondContact O-N 3.28Å; G2670-K2672 PolarHBondContact O-N 3.41Å; G2670-V2673 PolarHBondContact O-N 3.38Å; G2670-T2674 WeakPolarHBondContact O-CB 3.38Å; G2670-T2674 PolarHBondContact O-N 2.88Å; G2670-T2674 PolarHBondContact O-OG1 2.72Å |
| 2671 | A | 82.9 | Confident | 83.1 | Confident | 85 Ų | 85 | 62.5 Ų | 62.5 | 70% | 0.702 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64 | -40.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y2669 T2674 S2675 | Y2669-A2671 VanDerWaalsContact C-N 3.32Å; Y2669-A2671 PolarHBondContact O-N 3.3Å; A2671-T2674 PolarHBondContact O-N 2.94Å; A2671-S2675 PolarHBondContact O-N 3.47Å |
| 2672 | K | 85.5 | Confident | 82.5 | Confident | 120 Ų | 120 | 61.3 Ų | 61.3 | 52% | 0.522 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -71.9 | -40.1 | 178.8 | -172.9 | 173.5 | 175.9 | -174.2 | 0 | 111.8 | L2626 Y2669 G2670 T2674 S2675 I2676 | L2626-K2672 HydrophobicContact CD1-CD 4.05Å; L2626-K2672 HydrophobicContact CD1-CG 4.42Å; L2626-K2672 HydrophobicContact CD2-CG 4.49Å; Y2669-K2672 WeakPolarHBondContact O-CB 3.37Å; Y2669-K2672 PolarHBondContact O-N 3.31Å; G2670-K2672 PolarHBondContact O-N 3.41Å; K2672-T2674 VanDerWaalsContact C-N 3.3Å; K2672-T2674 PolarHBondContact O-N 2.95Å; K2672-S2675 PolarHBondContact O-N 3.1Å; K2672-S2675 PolarHBondContact O-OG 2.91Å; K2672-I2676 HydrophobicContact CG-CD1 4.27Å; K2672-I2676 WeakPolarHBondContact O-CG1 3.36Å; K2672-I2676 PolarHBondContact O-N 2.87Å |
| 2673 | V | 85.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 172.2 | 174.6 | 0 | 0 | 0 | 0 | 109.7 | I2622 L2626 I2631 M2663 Q2664 Y2669 G2670 S2675 I2676 L2677 | I2622-V2673 HydrophobicContact CG2-CG2 3.88Å; L2626-V2673 HydrophobicContact CD2-CG2 4.25Å; I2631-V2673 HydrophobicContact CD1-CB 4.33Å; I2631-V2673 HydrophobicContact CD1-CG1 3.89Å; I2631-V2673 HydrophobicContact CD1-CG2 4.29Å; M2663-V2673 HydrophobicContact CB-CB 4.48Å; M2663-V2673 HydrophobicContact CB-CG1 3.79Å; M2663-V2673 HydrophobicContact CB-CG2 4.08Å; Q2664-V2673 HydrophobicContact CG-CG1 3.91Å; Y2669-V2673 WeakPolarHBondContact O-CG2 3.24Å; Y2669-V2673 PolarHBondContact O-N 3.04Å; G2670-V2673 PolarHBondContact O-N 3.38Å; V2673-S2675 PolarHBondContact O-N 2.95Å; V2673-I2676 PolarHBondContact O-N 2.75Å; V2673-L2677 HydrophobicContact CG1-CD1 3.79Å; V2673-L2677 HydrophobicContact CG1-CG 4.34Å; V2673-L2677 WeakPolarHBondContact O-CB 3.4Å; V2673-L2677 WeakPolarHBondContact O-CG 3.33Å; V2673-L2677 PolarHBondContact O-N 3.24Å |
| 2674 | T | 83.9 | Confident | 81.9 | Confident | 39 Ų | 39 | 64.4 Ų | 64.4 | 24% | 0.239 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 178.5 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | Q2664 G2670 A2671 K2672 I2676 L2677 E2678 | Q2664-T2674 PolarHBondContact NE2-OG1 3.49Å; Q2664-T2674 VanDerWaalsContact NE2-OG1 3.1Å; G2670-T2674 WeakPolarHBondContact O-CB 3.38Å; G2670-T2674 PolarHBondContact O-N 2.88Å; G2670-T2674 PolarHBondContact O-OG1 2.72Å; A2671-T2674 PolarHBondContact O-N 2.94Å; K2672-T2674 VanDerWaalsContact C-N 3.3Å; K2672-T2674 PolarHBondContact O-N 2.95Å; T2674-I2676 VanDerWaalsContact C-N 3.3Å; T2674-I2676 PolarHBondContact O-N 3.35Å; T2674-L2677 PolarHBondContact O-N 3.37Å; T2674-E2678 WeakPolarHBondContact O-CG 3.38Å; T2674-E2678 PolarHBondContact O-N 3.49Å |
| 2675 | S | 84.8 | Confident | 81.4 | Confident | 64 Ų | 64 | 66.9 Ų | 66.9 | 45% | 0.448 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 176.5 | 70.8 | 0 | 0 | 0 | 0 | 112.4 | A2671 K2672 V2673 T2679 | A2671-S2675 PolarHBondContact O-N 3.47Å; K2672-S2675 PolarHBondContact O-N 3.1Å; K2672-S2675 PolarHBondContact O-OG 2.91Å; V2673-S2675 PolarHBondContact O-N 2.95Å; S2675-T2679 WeakPolarHBondContact O-CG2 3.39Å; S2675-T2679 PolarHBondContact O-N 3.31Å |
| 2676 | I | 83.9 | Confident | 81.1 | Confident | 45 Ų | 45 | 59.8 Ų | 59.8 | 23% | 0.231 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.5 | -46.9 | 177.5 | -67.9 | 164.4 | 0 | 0 | 0 | 109.9 | L2626 I2631 K2672 V2673 T2674 E2678 T2679 Y2680 | L2626-I2676 HydrophobicContact CD2-CD1 3.33Å; I2631-I2676 HydrophobicContact CB-CG2 4.31Å; I2631-I2676 HydrophobicContact CD1-CB 4.35Å; I2631-I2676 HydrophobicContact CD1-CD1 4.39Å; I2631-I2676 HydrophobicContact CD1-CG2 4.15Å; I2631-I2676 HydrophobicContact CG2-CG2 3.95Å; K2672-I2676 HydrophobicContact CG-CD1 4.27Å; K2672-I2676 WeakPolarHBondContact O-CG1 3.36Å; K2672-I2676 PolarHBondContact O-N 2.87Å; V2673-I2676 PolarHBondContact O-N 2.75Å; T2674-I2676 VanDerWaalsContact C-N 3.3Å; T2674-I2676 PolarHBondContact O-N 3.35Å; I2676-E2678 VanDerWaalsContact C-N 3.25Å; I2676-E2678 PolarHBondContact O-N 3.36Å; I2676-T2679 WeakPolarHBondContact O-CB 3.34Å; I2676-T2679 PolarHBondContact O-N 3.05Å; I2676-T2679 PolarHBondContact O-OG1 3.44Å; I2676-Y2680 HydrophobicContact CG2-CD2 4.45Å; I2676-Y2680 HydrophobicContact CG2-CE2 4.04Å; I2676-Y2680 WeakPolarHBondContact O-CD2 3.43Å |
| 2677 | L | 83.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.2 | -39.2 | 177.2 | -76 | 170.1 | 0 | 0 | 0 | 112.3 | I2631 L2635 L2660 Q2664 V2673 T2674 T2679 Y2680 W2683 | I2631-L2677 HydrophobicContact CG2-CD2 3.6Å; I2631-L2677 HydrophobicContact CG2-CG 4.09Å; L2635-L2677 HydrophobicContact CD1-CD2 4.12Å; L2660-L2677 HydrophobicContact CB-CD1 4.4Å; L2660-L2677 HydrophobicContact CB-CD2 4.4Å; L2660-L2677 HydrophobicContact CD1-CD2 3.96Å; L2660-L2677 HydrophobicContact CD2-CD2 4.07Å; L2660-L2677 HydrophobicContact CG-CD2 4.36Å; Q2664-L2677 HydrophobicContact CG-CD1 3.67Å; V2673-L2677 HydrophobicContact CG1-CD1 3.79Å; V2673-L2677 HydrophobicContact CG1-CG 4.34Å; V2673-L2677 WeakPolarHBondContact O-CB 3.4Å; V2673-L2677 WeakPolarHBondContact O-CG 3.33Å; V2673-L2677 PolarHBondContact O-N 3.24Å; T2674-L2677 PolarHBondContact O-N 3.37Å; L2677-T2679 VanDerWaalsContact C-N 3.27Å; L2677-T2679 PolarHBondContact O-N 2.94Å; L2677-Y2680 PolarHBondContact O-N 2.87Å; L2677-Y2680 VanDerWaalsContact O-N 3.11Å; L2677-W2683 HydrophobicContact CB-CD2 4.21Å; L2677-W2683 HydrophobicContact CB-CG 3.97Å; L2677-W2683 HydrophobicContact CD1-CD2 4.49Å; L2677-W2683 HydrophobicContact CD1-CH2 4.34Å; L2677-W2683 HydrophobicContact CD1-CZ2 3.84Å; L2677-W2683 HydrophobicContact CD2-CD2 3.82Å; L2677-W2683 HydrophobicContact CD2-CE3 3.92Å; L2677-W2683 HydrophobicContact CD2-CG 4.21Å; L2677-W2683 HydrophobicContact CD2-CZ2 4.45Å; L2677-W2683 HydrophobicContact CD2-CZ3 4.27Å; L2677-W2683 HydrophobicContact CG-CD2 4.41Å; L2677-W2683 VanDerWaalsContact O-CB 3.25Å; L2677-W2683 WeakPolarHBondContact O-CB 3.48Å |
| 2678 | E | 83.1 | Confident | 80.3 | Confident | 116 Ų | 116 | 66.3 Ų | 66.3 | 54% | 0.542 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.9 | -19 | 177.1 | -72 | -171.5 | 159.7 | 0 | 0 | 113.9 | T2674 I2676 Y2680 R2687 | T2674-E2678 WeakPolarHBondContact O-CG 3.38Å; T2674-E2678 PolarHBondContact O-N 3.49Å; I2676-E2678 VanDerWaalsContact C-N 3.25Å; I2676-E2678 PolarHBondContact O-N 3.36Å; E2678-Y2680 PolarHBondContact O-N 3.42Å; E2678-R2687 IonicContact OE1-NH1 3.09Å; E2678-R2687 PolarHBondContact OE1-NH1 3.4Å; E2678-R2687 VanDerWaalsContact OE1-NH1 3.09Å |
| 2679 | T | 82.5 | Confident | 79.6 | Confident | 105 Ų | 105 | 66.4 Ų | 66.4 | 64% | 0.644 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -73.3 | -17 | 170.4 | 62.6 | 0 | 0 | 0 | 0 | 113.3 | S2675 I2676 L2677 | S2675-T2679 WeakPolarHBondContact O-CG2 3.39Å; S2675-T2679 PolarHBondContact O-N 3.31Å; I2676-T2679 WeakPolarHBondContact O-CB 3.34Å; I2676-T2679 PolarHBondContact O-N 3.05Å; I2676-T2679 PolarHBondContact O-OG1 3.44Å; L2677-T2679 VanDerWaalsContact C-N 3.27Å; L2677-T2679 PolarHBondContact O-N 2.94Å |
| 2680 | Y | 80.3 | Confident | 78.5 | Confident | 68 Ų | 68 | 67.1 Ų | 67.1 | 27% | 0.267 | 38% | 0.383 | S | S | . | . | trans | -94.8 | 115.5 | 179.6 | -77.5 | -85.8 | 0 | 0 | 0 | 111 | G2632 L2635 I2676 L2677 E2678 N2682 W2683 | G2632-Y2680 WeakPolarHBondContact CA-OH 3.45Å; L2635-Y2680 HydrophobicContact CD1-CD1 3.82Å; L2635-Y2680 HydrophobicContact CD1-CD2 3.44Å; L2635-Y2680 VanDerWaalsContact CD1-CD2 3.44Å; L2635-Y2680 HydrophobicContact CD1-CE1 4.36Å; L2635-Y2680 HydrophobicContact CD1-CE2 4.04Å; L2635-Y2680 HydrophobicContact CD1-CG 3.32Å; I2676-Y2680 HydrophobicContact CG2-CD2 4.45Å; I2676-Y2680 HydrophobicContact CG2-CE2 4.04Å; I2676-Y2680 WeakPolarHBondContact O-CD2 3.43Å; L2677-Y2680 PolarHBondContact O-N 2.87Å; L2677-Y2680 VanDerWaalsContact O-N 3.11Å; E2678-Y2680 PolarHBondContact O-N 3.42Å; Y2680-N2682 VanDerWaalsContact C-N 3.27Å; Y2680-N2682 WeakPolarHBondContact CB-OD1 3.23Å; Y2680-N2682 PolarHBondContact O-N 3.38Å; Y2680-W2683 WeakPolarHBondContact O-CB 3.5Å; Y2680-W2683 PolarHBondContact O-N 3.44Å | ||
| 2681 | P | 76.4 | Confident | 77.6 | Confident | 110 Ų | 110 | 67.8 Ų | 67.8 | 71% | 0.714 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -32.9 | -173.8 | 23.4 | -32.5 | 0 | 0 | 0 | 113 | W2683 A2684 | P2681-W2683 VanDerWaalsContact C-N 3.26Å; P2681-W2683 PolarHBondContact O-N 3.38Å; P2681-A2684 WeakPolarHBondContact O-CB 3.32Å; P2681-A2684 PolarHBondContact O-N 3.14Å |
| 2682 | N | 72.9 | Confident | 76.4 | Confident | 22 Ų | 22 | 67.8 Ų | 67.8 | 12% | 0.118 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -16.2 | 176.4 | 53.9 | -28.9 | 0 | 0 | 0 | 113.5 | Y2680 A2684 D2685 Y2686 | Y2680-N2682 VanDerWaalsContact C-N 3.27Å; Y2680-N2682 WeakPolarHBondContact CB-OD1 3.23Å; Y2680-N2682 PolarHBondContact O-N 3.38Å; N2682-A2684 PolarHBondContact O-N 3.18Å; N2682-D2685 PolarHBondContact O-N 3.07Å; N2682-Y2686 WeakPolarHBondContact O-CD2 3.34Å; N2682-Y2686 WeakPolarHBondContact O-CE2 3.34Å |
| 2683 | W | 80.7 | Confident | 75.2 | Confident | 5 Ų | 5 | 70.3 Ų | 70.3 | 2% | 0.019 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.8 | -31.5 | 173.1 | 179.8 | -119.9 | 0 | 0 | 0 | 111.8 | L2635 I2657 L2660 K2661 L2677 Y2680 P2681 D2685 Y2686 R2687 | L2635-W2683 HydrophobicContact CD2-CE3 4.06Å; I2657-W2683 HydrophobicContact CG2-CH2 4.09Å; I2657-W2683 HydrophobicContact CG2-CZ3 4.09Å; L2660-W2683 HydrophobicContact CB-CH2 3.8Å; L2660-W2683 HydrophobicContact CB-CZ3 3.98Å; L2660-W2683 HydrophobicContact CD1-CE3 4.1Å; L2660-W2683 HydrophobicContact CD1-CH2 4.25Å; L2660-W2683 HydrophobicContact CD1-CZ3 3.54Å; L2660-W2683 HydrophobicContact CG-CZ3 4.43Å; K2661-W2683 HydrophobicContact CG-CH2 4.09Å; K2661-W2683 HydrophobicContact CG-CZ2 4.34Å; L2677-W2683 HydrophobicContact CB-CD2 4.21Å; L2677-W2683 HydrophobicContact CB-CG 3.97Å; L2677-W2683 HydrophobicContact CD1-CD2 4.49Å; L2677-W2683 HydrophobicContact CD1-CH2 4.34Å; L2677-W2683 HydrophobicContact CD1-CZ2 3.84Å; L2677-W2683 HydrophobicContact CD2-CD2 3.82Å; L2677-W2683 HydrophobicContact CD2-CE3 3.92Å; L2677-W2683 HydrophobicContact CD2-CG 4.21Å; L2677-W2683 HydrophobicContact CD2-CZ2 4.45Å; L2677-W2683 HydrophobicContact CD2-CZ3 4.27Å; L2677-W2683 HydrophobicContact CG-CD2 4.41Å; L2677-W2683 VanDerWaalsContact O-CB 3.25Å; L2677-W2683 WeakPolarHBondContact O-CB 3.48Å; Y2680-W2683 WeakPolarHBondContact O-CB 3.5Å; Y2680-W2683 PolarHBondContact O-N 3.44Å; P2681-W2683 VanDerWaalsContact C-N 3.26Å; P2681-W2683 PolarHBondContact O-N 3.38Å; W2683-D2685 PolarHBondContact O-N 2.87Å; W2683-Y2686 PolarHBondContact O-N 2.94Å; W2683-R2687 WeakPolarHBondContact O-CB 3.33Å; W2683-R2687 PolarHBondContact O-N 2.93Å |
| 2684 | A | 75.7 | Confident | 74 | Confident | 68 Ų | 68 | 75.5 Ų | 75.5 | 56% | 0.562 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -56 | -34.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P2681 N2682 Y2686 | P2681-A2684 WeakPolarHBondContact O-CB 3.32Å; P2681-A2684 PolarHBondContact O-N 3.14Å; N2682-A2684 PolarHBondContact O-N 3.18Å; A2684-Y2686 VanDerWaalsContact C-N 3.3Å; A2684-Y2686 PolarHBondContact O-N 3.41Å |
| 2685 | D | 76 | Confident | 72.7 | Confident | 101 Ų | 101 | 74.5 Ų | 74.5 | 54% | 0.54 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67 | -32.3 | 179 | -60.5 | -33.9 | 0 | 0 | 0 | 112.2 | N2682 W2683 Q2689 | N2682-D2685 PolarHBondContact O-N 3.07Å; W2683-D2685 PolarHBondContact O-N 2.87Å; D2685-Q2689 VanDerWaalsContact O-CD 3.25Å; D2685-Q2689 WeakPolarHBondContact O-CG 3.25Å; D2685-Q2689 PolarHBondContact O-NE2 2.98Å |
| 2686 | Y | 75.8 | Confident | 71.1 | Confident | 42 Ų | 42 | 75.2 Ų | 75.2 | 17% | 0.165 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -102.6 | -22.5 | -173.2 | -58.6 | -66.5 | 0 | 0 | 0 | 114 | L2638 I2657 N2682 W2683 A2684 D2688 Q2689 | L2638-Y2686 HydrophobicContact CB-CE2 4.33Å; L2638-Y2686 HydrophobicContact CD1-CD2 4.45Å; L2638-Y2686 HydrophobicContact CD1-CE2 4.42Å; I2657-Y2686 HydrophobicContact CD1-CD1 3.33Å; I2657-Y2686 HydrophobicContact CD1-CE1 4.07Å; I2657-Y2686 HydrophobicContact CD1-CG 3.72Å; I2657-Y2686 HydrophobicContact CG1-CD1 4.32Å; I2657-Y2686 HydrophobicContact CG1-CG 4.25Å; N2682-Y2686 WeakPolarHBondContact O-CD2 3.34Å; N2682-Y2686 WeakPolarHBondContact O-CE2 3.34Å; W2683-Y2686 PolarHBondContact O-N 2.94Å; A2684-Y2686 VanDerWaalsContact C-N 3.3Å; A2684-Y2686 PolarHBondContact O-N 3.41Å; Y2686-D2688 PolarHBondContact O-N 3.05Å; Y2686-Q2689 PolarHBondContact O-N 3.21Å |
| 2687 | R | 72.8 | Confident | 69.4 | Low | 119 Ų | 119 | 77.9 Ų | 77.9 | 45% | 0.449 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -50.4 | -54.2 | -173.5 | 177.7 | -171.6 | 164.1 | 139.6 | 1.2 | 112.3 | K2661 E2678 W2683 | K2661-R2687 WeakPolarHBondContact CE-O 3.26Å; K2661-R2687 PolarHBondContact NZ-O 2.92Å; E2678-R2687 IonicContact OE1-NH1 3.09Å; E2678-R2687 PolarHBondContact OE1-NH1 3.4Å; E2678-R2687 VanDerWaalsContact OE1-NH1 3.09Å; W2683-R2687 WeakPolarHBondContact O-CB 3.33Å; W2683-R2687 PolarHBondContact O-N 2.93Å |
| 2688 | D | 71.2 | Confident | 67.1 | Low | 137 Ų | 137 | 84.1 Ų | 84.1 | 73% | 0.733 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -2 | -172.1 | -59.4 | -36.4 | 0 | 0 | 0 | 113.1 | Y2686 G2690 | Y2686-D2688 PolarHBondContact O-N 3.05Å; D2688-G2690 PolarHBondContact O-N 3.39Å |
| 2689 | Q | 69 | Low | 64.9 | Low | 96 Ų | 96 | 82.5 Ų | 82.5 | 45% | 0.449 | 47% | 0.471 | S | S | . | . | trans | -74 | 126 | 177.8 | -72 | -172.1 | 27.8 | 0 | 0 | 111.4 | K2661 D2685 Y2686 H2691 | K2661-Q2689 PolarHBondContact NZ-O 3.42Å; D2685-Q2689 VanDerWaalsContact O-CD 3.25Å; D2685-Q2689 WeakPolarHBondContact O-CG 3.25Å; D2685-Q2689 PolarHBondContact O-NE2 2.98Å; Y2686-Q2689 PolarHBondContact O-N 3.21Å; Q2689-H2691 WeakPolarHBondContact CB-CE1 3.44Å; Q2689-H2691 PolarHBondContact O-CE1 3.06Å; Q2689-H2691 PolarHBondContact O-N 3.47Å; Q2689-H2691 PolarHBondContact O-ND1 3.35Å | ||
| 2690 | G | 59.4 | Low | 62.6 | Low | 65 Ų | 65 | 84.9 Ų | 84.9 | 67% | 0.67 | 48% | 0.475 | S | S | * | . | trans | -79.6 | 103.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | D2688 S2692 | D2688-G2690 PolarHBondContact O-N 3.39Å; G2690-S2692 VanDerWaalsContact C-N 3.27Å; G2690-S2692 PolarHBondContact O-N 3.3Å | ||
| 2691 | H | 64.3 | Low | 60.3 | Low | 16 Ų | 16 | 84.5 Ų | 84.5 | 7% | 0.074 | 48% | 0.483 | C | S | . | . | trans | -89.8 | 10.9 | -177 | -60.3 | 83.8 | 0 | 0 | 0 | 113.6 | A2654 I2657 Q2689 L2693 F2694 | A2654-H2691 HydrophobicContact CB-CB 3.59Å; I2657-H2691 VanDerWaalsContact CD1-CE1 3.45Å; I2657-H2691 WeakPolarHBondContact CD1-CE1 3.36Å; I2657-H2691 WeakPolarHBondContact CD1-NE2 3.49Å; Q2689-H2691 WeakPolarHBondContact CB-CE1 3.44Å; Q2689-H2691 PolarHBondContact O-CE1 3.06Å; Q2689-H2691 PolarHBondContact O-N 3.47Å; Q2689-H2691 PolarHBondContact O-ND1 3.35Å; H2691-L2693 PolarHBondContact O-N 2.87Å; H2691-F2694 PolarHBondContact O-N 3.39Å | ||
| 2692 | S | 58.4 | Low | 58.1 | Low | 86 Ų | 86 | 87 Ų | 87 | 60% | 0.601 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -59.3 | -32.5 | -174.7 | -49.4 | 0 | 0 | 0 | 0 | 113.1 | G2690 F2694 I2695 | G2690-S2692 VanDerWaalsContact C-N 3.27Å; G2690-S2692 PolarHBondContact O-N 3.3Å; S2692-F2694 VanDerWaalsContact C-N 3.27Å; S2692-F2694 PolarHBondContact O-N 2.96Å; S2692-I2695 PolarHBondContact O-N 2.91Å |
| 2693 | L | 59.1 | Low | 56.1 | Low | 172 Ų | 172 | 91.5 Ų | 91.5 | 90% | 0.901 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -68.4 | -23.3 | 177.9 | -73.1 | 170.9 | 0 | 0 | 0 | 113.7 | H2691 I2695 | H2691-L2693 PolarHBondContact O-N 2.87Å; L2693-I2695 VanDerWaalsContact C-N 3.3Å |
| 2694 | F | 60.7 | Low | 53.7 | Low | 109 Ų | 109 | 95.4 Ų | 95.4 | 48% | 0.478 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -85.8 | -5.1 | 177.2 | -68 | -78.2 | 0 | 0 | 0 | 112.6 | Q2651 A2654 H2691 S2692 | Q2651-F2694 WeakPolarHBondContact CA-O 3.12Å; Q2651-F2694 VanDerWaalsContact CB-O 3.25Å; Q2651-F2694 WeakPolarHBondContact CB-O 3.16Å; Q2651-F2694 VanDerWaalsContact CG-O 3.26Å; Q2651-F2694 WeakPolarHBondContact CG-O 3.27Å; A2654-F2694 HydrophobicContact CB-CB 3.59Å; A2654-F2694 HydrophobicContact CB-CG 4.44Å; H2691-F2694 PolarHBondContact O-N 3.39Å; S2692-F2694 VanDerWaalsContact C-N 3.27Å; S2692-F2694 PolarHBondContact O-N 2.96Å |
| 2695 | I | 56.6 | Low | 51.6 | Low | 18 Ų | 18 | 101.1 Ų | 101.1 | 9% | 0.092 | 55% | 0.548 | C | S | . | . | trans | -112.3 | 100.2 | -170.4 | -63.3 | 168.6 | 0 | 0 | 0 | 108.9 | A2654 Y2655 K2658 S2692 L2693 N2697 | A2654-I2695 HydrophobicContact CB-CD1 3.85Å; A2654-I2695 HydrophobicContact CB-CG1 3.68Å; Y2655-I2695 HydrophobicContact CD1-CD1 4.27Å; Y2655-I2695 HydrophobicContact CD1-CG1 4.47Å; Y2655-I2695 HydrophobicContact CD1-CG2 4.47Å; Y2655-I2695 HydrophobicContact CE1-CD1 4.4Å; Y2655-I2695 HydrophobicContact CE1-CG1 4.38Å; Y2655-I2695 HydrophobicContact CE1-CG2 3.61Å; Y2655-I2695 HydrophobicContact CE2-CG2 4.29Å; Y2655-I2695 WeakPolarHBondContact OH-CG2 3.5Å; K2658-I2695 HydrophobicContact CD-CD1 3.43Å; K2658-I2695 VanDerWaalsContact CD-CD1 3.43Å; K2658-I2695 HydrophobicContact CG-CD1 3.99Å; K2658-I2695 VanDerWaalsContact NZ-CD1 3.27Å; S2692-I2695 PolarHBondContact O-N 2.91Å; L2693-I2695 VanDerWaalsContact C-N 3.3Å; I2695-N2697 PolarHBondContact O-N 3.32Å | ||
| 2696 | S | 51.8 | Low | 49.4 | Very low | 79 Ų | 79 | 104.2 Ų | 104.2 | 55% | 0.552 | 56% | 0.563 | S | S | * | * | trans | -72.1 | 63.9 | 173.3 | -45.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2697 | N | 46.6 | Very low | 47.3 | Very low | 102 Ų | 102 | 107.8 Ų | 107.8 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | trans | -162 | 69.2 | 168.7 | -93.4 | -24.6 | 0 | 0 | 0 | 110.8 | E2607 I2695 | E2607-N2697 PolarHBondContact OE1-ND2 3.09Å; I2695-N2697 PolarHBondContact O-N 3.32Å | ||
| 2698 | V | 35.5 | Very low | 45.3 | Very low | 131 Ų | 131 | 106.9 Ų | 106.9 | 79% | 0.794 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -79.1 | 117.3 | 137.3 | 178.5 | 0 | 0 | 0 | 0 | 103.9 | Q2700 | V2698-Q2700 PolarHBondContact O-N 3.46Š|
| 2699 | P | 37.8 | Very low | 43.3 | Very low | 81 Ų | 81 | 102.4 Ų | 102.4 | 53% | 0.526 | 59% | 0.594 | S | S | . | * | trans | -55.7 | 121.8 | -177.2 | 22.2 | -31.6 | 0 | 0 | 0 | 108.4 | S2701 | P2699-S2701 PolarHBondContact O-N 3.11Š| ||
| 2700 | Q | 33.6 | Very low | 41.6 | Very low | 155 Ų | 155 | 104.9 Ų | 104.9 | 72% | 0.724 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -65.1 | 17.3 | 167.5 | -70.4 | -176 | -13.5 | 0 | 0 | 112 | V2698 M2702 T2703 T2704 | V2698-Q2700 PolarHBondContact O-N 3.46Å; Q2700-M2702 PolarHBondContact O-N 2.6Å; Q2700-T2703 PolarHBondContact O-N 3Å; Q2700-T2704 PolarHBondContact O-N 3.37Å; Q2700-T2704 PolarHBondContact O-OG1 3.28Å |
| 2701 | S | 32.7 | Very low | 40.2 | Very low | 61 Ų | 61 | 105.9 Ų | 105.9 | 43% | 0.427 | 62% | 0.62 | S | S | . | * | G | 310 helix | trans | -69.4 | -13.9 | 168.1 | 68 | 0 | 0 | 0 | 0 | 112.4 | P2699 Y2705 | P2699-S2701 PolarHBondContact O-N 3.11Å; S2701-Y2705 WeakPolarHBondContact O-CD2 3.45Å; S2701-Y2705 WeakPolarHBondContact O-CE2 3.37Å |
| 2702 | M | 29.1 | Very low | 38.6 | Very low | 163 Ų | 163 | 109.2 Ų | 109.2 | 80% | 0.803 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -84.7 | -13.3 | 172.7 | -89.5 | -65.1 | -152.8 | 0 | 0 | 114.6 | Q2700 | Q2700-M2702 PolarHBondContact O-N 2.6Š|
| 2703 | T | 31.4 | Very low | 37.2 | Very low | 116 Ų | 116 | 107.6 Ų | 107.6 | 71% | 0.712 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | -2.9 | 177.3 | 31.3 | 0 | 0 | 0 | 0 | 114.7 | Q2700 | Q2700-T2703 PolarHBondContact O-N 3Š|
| 2704 | T | 29.6 | Very low | 35.8 | Very low | 86 Ų | 86 | 103.8 Ų | 103.8 | 53% | 0.528 | 63% | 0.63 | S | S | . | * | trans | -98.5 | 10.4 | 174.9 | 40.6 | 0 | 0 | 0 | 0 | 114.6 | Q2700 L2706 | Q2700-T2704 PolarHBondContact O-N 3.37Å; Q2700-T2704 PolarHBondContact O-OG1 3.28Å; T2704-L2706 PolarHBondContact O-N 3.43Å | ||
| 2705 | Y | 31.7 | Very low | 34.5 | Very low | 189 Ų | 189 | 106.2 Ų | 106.2 | 74% | 0.741 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -71.2 | -5.5 | 174.7 | -90.8 | -72.2 | 0 | 0 | 0 | 115.3 | S2701 | S2701-Y2705 WeakPolarHBondContact O-CD2 3.45Å; S2701-Y2705 WeakPolarHBondContact O-CE2 3.37Å |
| 2706 | L | 29.7 | Very low | 33.3 | Very low | 165 Ų | 165 | 112.9 Ų | 112.9 | 86% | 0.864 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -133.6 | 6.8 | -176.2 | -73.6 | 173.3 | 0 | 0 | 0 | 117 | T2704 | T2704-L2706 PolarHBondContact O-N 3.43Š|
| 2707 | T | 32.3 | Very low | 32.4 | Very low | 117 Ų | 117 | 114.2 Ų | 114.2 | 72% | 0.718 | 69% | 0.687 | S | S | * | * | trans | -138.8 | 48.7 | 171.8 | 62.1 | 0 | 0 | 0 | 0 | 112.2 | G2709 | T2707-G2709 PolarHBondContact O-N 3.36Š| ||
| 2708 | A | 31.6 | Very low | 31.6 | Very low | 100 Ų | 100 | 111.5 Ų | 111.5 | 83% | 0.826 | 68% | 0.683 | S | S | * | * | trans | -74.8 | 79.3 | 147.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 2709 | G | 28.6 | Very low | 31.4 | Very low | 43 Ų | 43 | 114.5 Ų | 114.5 | 44% | 0.443 | 68% | 0.682 | S | S | . | * | trans | -56.1 | 160.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | T2707 A2711 | T2707-G2709 PolarHBondContact O-N 3.36Å; G2709-A2711 PolarHBondContact O-N 3.02Å | ||
| 2710 | P | 32.4 | Very low | 31 | Very low | 148 Ų | 148 | 118.5 Ų | 118.5 | 96% | 0.961 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -68.3 | 21.8 | -163.8 | -16.3 | 30.6 | 0 | 0 | 0 | 116.4 | S2712 | P2710-S2712 PolarHBondContact O-N 3.38Š|
| 2711 | A | 30.9 | Very low | 31 | Very low | 86 Ų | 86 | 116.6 Ų | 116.6 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | trans | -83.8 | 113.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | G2709 | G2709-A2711 PolarHBondContact O-N 3.02Š| ||
| 2712 | S | 31.6 | Very low | 30.7 | Very low | 87 Ų | 87 | 118.4 Ų | 118.4 | 61% | 0.608 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 76.5 | 79.2 | 157.3 | -58.6 | 0 | 0 | 0 | 0 | 117.9 | P2710 | P2710-S2712 PolarHBondContact O-N 3.38Š|
| 2713 | G | 28.3 | Very low | 30.7 | Very low | 52 Ų | 52 | 116.6 Ų | 116.6 | 54% | 0.536 | 70% | 0.704 | S | S | . | * | 93 | 28.3 | 119.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | L2715 | G2713-L2715 PolarHBondContact O-N 3.38Š| |||
| 2714 | S | 29.6 | Very low | 30.7 | Very low | 91 Ų | 91 | 115.8 Ų | 115.8 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | trans | -84 | 104.2 | 148.8 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | H2716 S2717 | S2714-H2716 PolarHBondContact O-N 3.27Å; S2714-S2717 PolarHBondContact O-N 2.84Å | ||
| 2715 | L | 33.6 | Very low | 31.1 | Very low | 160 Ų | 160 | 116.8 Ų | 116.8 | 84% | 0.838 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | 25.5 | 170.4 | -111.6 | 123.1 | 0 | 0 | 0 | 113.5 | G2713 | G2713-L2715 PolarHBondContact O-N 3.38Š|
| 2716 | H | 31.9 | Very low | 31.1 | Very low | 159 Ų | 159 | 115.8 Ų | 115.8 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | -1.4 | 173.5 | -70 | 12.8 | 0 | 0 | 0 | 113.1 | S2714 G2718 | S2714-H2716 PolarHBondContact O-N 3.27Å; H2716-G2718 PolarHBondContact O-N 3.26Å |
| 2717 | S | 31.5 | Very low | 31.1 | Very low | 106 Ų | 106 | 115.7 Ų | 115.7 | 74% | 0.741 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 21.5 | 168.5 | -161.3 | 0 | 0 | 0 | 0 | 114.1 | S2714 | S2714-S2717 PolarHBondContact O-N 2.84Š|
| 2718 | G | 29.8 | Very low | 31.1 | Very low | 46 Ų | 46 | 115.4 Ų | 115.4 | 47% | 0.474 | 71% | 0.706 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.2 | -12 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | H2716 | H2716-G2718 PolarHBondContact O-N 3.26Š|
| 2719 | Y | 32.8 | Very low | 31.3 | Very low | 194 Ų | 194 | 116.9 Ų | 116.9 | 76% | 0.761 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -99.6 | 2.4 | -174.9 | -83.3 | -73 | 0 | 0 | 0 | 115.4 | ||
| 2720 | L | 29.4 | Very low | 31.5 | Very low | 165 Ų | 165 | 119.3 Ų | 119.3 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -126 | 9 | 179 | -73.6 | 175.2 | 0 | 0 | 0 | 115.6 | ||
| 2721 | T | 32 | Very low | 31.5 | Very low | 115 Ų | 115 | 117.7 Ų | 117.7 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | trans | -124.1 | 10.1 | 169.4 | 56.7 | 0 | 0 | 0 | 0 | 114.3 | T2723 | T2721-T2723 PolarHBondContact O-N 3.02Š| ||
| 2722 | T | 27.5 | Very low | 31.5 | Very low | 99 Ų | 99 | 122 Ų | 122 | 61% | 0.607 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -66.4 | 91.7 | 145.1 | 55.8 | 0 | 0 | 0 | 0 | 105.5 | S2724 | T2722-S2724 PolarHBondContact O-N 3.42Š|
| 2723 | T | 29.6 | Very low | 31.5 | Very low | 125 Ų | 125 | 122.7 Ų | 122.7 | 77% | 0.767 | 73% | 0.725 | S | S | * | * | trans | -40.5 | 103.7 | 145 | 44.7 | 0 | 0 | 0 | 0 | 104.8 | T2721 | T2721-T2723 PolarHBondContact O-N 3.02Š| ||
| 2724 | S | 30 | Very low | 31.7 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | trans | -44 | 118.3 | 163.7 | -49.7 | 0 | 0 | 0 | 0 | 103.8 | T2722 E2726 | T2722-S2724 PolarHBondContact O-N 3.42Å; S2724-E2726 PolarHBondContact O-N 3.2Å | ||
| 2725 | P | 38 | Very low | 32 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | trans | -52.5 | 124.5 | 178.8 | 23.3 | -30.5 | 0 | 0 | 0 | 103.8 | L2727 | P2725-L2727 VanDerWaalsContact C-N 3.3Å; P2725-L2727 PolarHBondContact O-N 3.33Å | ||
| 2726 | E | 32.4 | Very low | 31.8 | Very low | 168 Ų | 168 | 135.1 Ų | 135.1 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | -45.1 | 110.5 | 172.6 | -79.2 | 179 | 150.5 | 0 | 0 | 105.1 | S2724 N2728 | S2724-E2726 PolarHBondContact O-N 3.2Å; E2726-N2728 PolarHBondContact O-N 3.31Å | ||
| 2727 | L | 29.6 | Very low | 31.9 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | -63.8 | 79.3 | 169.3 | -89.5 | 148.4 | 0 | 0 | 0 | 103.5 | P2725 P2729 | P2725-L2727 VanDerWaalsContact C-N 3.3Å; P2725-L2727 PolarHBondContact O-N 3.33Å; L2727-P2729 WeakPolarHBondContact O-CD 3.38Å | ||
| 2728 | N | 32.7 | Very low | 31.9 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 60% | 0.599 | 78% | 0.782 | S | S | * | * | trans | -60.8 | 109.2 | 175.7 | -104.5 | -36.3 | 0 | 0 | 0 | 105 | E2726 S2730 | E2726-N2728 PolarHBondContact O-N 3.31Å; N2728-S2730 PolarHBondContact O-N 3.33Å | ||
| 2729 | P | 34.4 | Very low | 32 | Very low | 130 Ų | 130 | 143 Ų | 143 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 50.6 | -170 | 34 | -30.5 | 0 | 0 | 0 | 109.9 | L2727 | L2727-P2729 WeakPolarHBondContact O-CD 3.38Š|
| 2730 | S | 33.8 | Very low | 32 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 66% | 0.664 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | 6.9 | -171.1 | 57.9 | 0 | 0 | 0 | 0 | 115.3 | N2728 | N2728-S2730 PolarHBondContact O-N 3.33Š|
| 2731 | S | 31.3 | Very low | 32.1 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -117.7 | 40.1 | 174.6 | 61.6 | 0 | 0 | 0 | 0 | 114 | ||
| 2732 | L | 30.8 | Very low | 32.1 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -133.2 | 54.6 | 164.6 | -93.6 | 156.2 | 0 | 0 | 0 | 109.9 | ||
| 2733 | S | 32.4 | Very low | 32.4 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 71% | 0.713 | 82% | 0.816 | S | S | * | * | trans | -168.5 | 91.7 | 156.4 | 46.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 2734 | K | 33.3 | Very low | 32.6 | Very low | 211 Ų | 211 | 144.2 Ų | 144.2 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | trans | -123.1 | 106.2 | 145.5 | -89.3 | -169.4 | 175.9 | -178 | 0 | 108 | ||||
| 2735 | P | 36.2 | Very low | 32.8 | Very low | 109 Ų | 109 | 147.8 Ų | 147.8 | 71% | 0.708 | 83% | 0.83 | S | S | * | * | trans | -81.2 | 149.6 | 172.5 | 33.7 | -30.3 | 0 | 0 | 0 | 110.1 | S2737 | P2735-S2737 PolarHBondContact O-N 2.73Š| ||
| 2736 | Y | 28.3 | Very low | 32.4 | Very low | 244 Ų | 244 | 151.1 Ų | 151.1 | 96% | 0.957 | 84% | 0.84 | S | S | * | * | trans | -12.8 | 109.6 | 161.6 | -73.4 | -92 | 0 | 0 | 0 | 116.8 | ||||
| 2737 | S | 33.5 | Very low | 32.4 | Very low | 190 Ų | 190 | 149.5 Ų | 149.5 | 100% | 1.329 | 85% | 0.845 | S | S | * | * | trans | -155.6 | 0 | 139.1 | 64.4 | 0 | 0 | 0 | 0 | 108.6 | P2735 | P2735-S2737 PolarHBondContact O-N 2.73Š|
Retrieved 2,737 of 2,737 residues in 2670.9 ms
(Link to these results)