| 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 | 35.7 | Very low | 46.2 | Very low | 243 Ų | 243 | 109.5 Ų | 109.5 | 100% | 1.197 | 65% | 0.645 | S | S | * | * | 0 | 146.8 | 0 | -64.3 | -172 | -73.7 | 0 | 0 | 108.5 | |||||
| 2 | G | 34.7 | Very low | 48.6 | Very low | 62 Ų | 62 | 109.9 Ų | 109.9 | 64% | 0.639 | 64% | 0.64 | S | S | * | * | trans | -166.7 | 76.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | E4 | G2-E4 PolarHBondContact O-N 2.89Š| ||
| 3 | A | 32.2 | Very low | 50.9 | Low | 78 Ų | 78 | 106 Ų | 106 | 65% | 0.645 | 62% | 0.615 | S | S | * | * | trans | 47.2 | 54.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116 | S5 | A3-S5 PolarHBondContact O-N 3.29Š| ||
| 4 | E | 40.5 | Very low | 53 | Low | 165 Ų | 165 | 105.1 Ų | 105.1 | 77% | 0.771 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 45.3 | 173 | 47.2 | -93.6 | 91.8 | 0 | 0 | 114.9 | G2 | G2-E4 PolarHBondContact O-N 2.89Š|
| 5 | S | 42.7 | Very low | 54.3 | Low | 106 Ų | 106 | 108.9 Ų | 108.9 | 74% | 0.741 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.7 | 32.5 | 175.8 | 63.2 | 0 | 0 | 0 | 0 | 115.9 | A3 A7 | A3-S5 PolarHBondContact O-N 3.29Å; S5-A7 PolarHBondContact O-N 3Å |
| 6 | S | 41.5 | Very low | 55.8 | Low | 111 Ų | 111 | 107.2 Ų | 107.2 | 78% | 0.776 | 61% | 0.607 | S | S | * | * | trans | -69.1 | 67.5 | 167.7 | -68.4 | 0 | 0 | 0 | 0 | 112.5 | M8 | S6-M8 PolarHBondContact O-N 3.06Š| ||
| 7 | A | 42.1 | Very low | 56.8 | Low | 65 Ų | 65 | 104.3 Ų | 104.3 | 54% | 0.537 | 59% | 0.589 | S | S | . | * | trans | -66.2 | 115.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | S5 R9 | S5-A7 PolarHBondContact O-N 3Å; A7-R9 PolarHBondContact O-N 2.91Å | ||
| 8 | M | 48.3 | Very low | 58 | Low | 60 Ų | 60 | 101.2 Ų | 101.2 | 30% | 0.296 | 57% | 0.571 | S | S | . | * | trans | -66.8 | 95.5 | 169.8 | -76.1 | -156.5 | -76.2 | 0 | 0 | 109.2 | S6 L31 S70 | S6-M8 PolarHBondContact O-N 3.06Å; M8-L31 HydrophobicContact CE-CD2 3.93Å; M8-S70 WeakPolarHBondContact CE-OG 3.13Å | ||
| 9 | R | 56 | Low | 59 | Low | 209 Ų | 209 | 100.1 Ų | 100.1 | 79% | 0.789 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -62.8 | 131.7 | 175.8 | -66.1 | 177 | 175.4 | 170.1 | -1.8 | 109 | A7 Q32 | A7-R9 PolarHBondContact O-N 2.91Å; R9-Q32 PolarHBondContact O-NE2 2.97Å |
| 10 | S | 61.9 | Low | 59.5 | Low | 88 Ų | 88 | 95.6 Ų | 95.6 | 62% | 0.615 | 54% | 0.541 | S | S | * | . | trans | 53.3 | 100.4 | -168.2 | 67.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 11 | I | 72.8 | Confident | 59.7 | Low | 17 Ų | 17 | 96.1 Ų | 96.1 | 9% | 0.087 | 55% | 0.548 | C | S | . | . | trans | -101.2 | 131.1 | 151.1 | -60.8 | 171.6 | 0 | 0 | 0 | 105.3 | L13 A29 V39 V81 | I11-L13 HydrophobicContact CG2-CD2 4.33Å; I11-A29 HydrophobicContact CG2-CB 3.87Å; I11-V39 HydrophobicContact CG2-CG2 4.12Å; I11-V81 HydrophobicContact CD1-CG2 3.59Å | ||
| 12 | I | 74.4 | Confident | 61 | Low | 115 Ų | 115 | 87.3 Ų | 87.3 | 59% | 0.59 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 113.7 | 174 | -59 | 177.7 | 0 | 0 | 0 | 107 | A29 V30 | I12-A29 VanDerWaalsContact O-CA 3.24Å; I12-A29 WeakPolarHBondContact O-CA 3.5Å; I12-A29 WeakPolarHBondContact O-CB 3.35Å; I12-V30 PolarHBondContact N-O 3.13Å; I12-V30 PolarHBondContact O-N 3.13Å |
| 13 | L | 78.3 | Confident | 62.7 | Low | 59 Ų | 59 | 85.9 Ų | 85.9 | 31% | 0.309 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 131.6 | 167.6 | -58.5 | -175.6 | 0 | 0 | 0 | 108.8 | I11 Y27 A29 V39 V41 | I11-L13 HydrophobicContact CG2-CD2 4.33Å; L13-Y27 HydrophobicContact CB-CD1 4.5Å; L13-Y27 HydrophobicContact CD1-CG 4.46Å; L13-A29 HydrophobicContact CD2-CB 4.29Å; L13-V39 HydrophobicContact CD2-CB 3.84Å; L13-V39 HydrophobicContact CD2-CG1 4Å; L13-V39 HydrophobicContact CD2-CG2 3.85Å; L13-V41 HydrophobicContact CD1-CG2 4.47Å |
| 14 | E | 80.4 | Confident | 65 | Low | 93 Ų | 93 | 82.8 Ų | 82.8 | 44% | 0.435 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -148.7 | 173.1 | -57.8 | 177.5 | 153.2 | 0 | 0 | 108.9 | S28 V30 | E14-S28 PolarHBondContact N-O 2.77Å; E14-S28 WeakPolarHBondContact OE2-CB 3.39Å; E14-S28 PolarHBondContact OE2-OG 3.08Å; E14-V30 WeakPolarHBondContact OE1-CG2 3.48Å |
| 15 | E | 73.4 | Confident | 67.2 | Low | 162 Ų | 162 | 76.2 Ų | 76.2 | 76% | 0.757 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 145.6 | -179.5 | -62.1 | -175 | 167.9 | 0 | 0 | 112.7 | L17 S28 | E15-L17 PolarHBondContact O-N 3.43Å; E15-S28 PolarHBondContact O-N 2.9Å; E15-S28 VanDerWaalsContact O-N 3.14Å |
| 16 | P | 77.5 | Confident | 69.5 | Low | 82 Ų | 82 | 71.2 Ų | 71.2 | 53% | 0.532 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 123.6 | 173.9 | 27.8 | -33.1 | 0 | 0 | 0 | 110.2 | T25 M26 Y27 | P16-T25 HydrophobicContact CB-CG2 3.97Å; P16-M26 CarbonylContact C-O 3.54Å; P16-Y27 HydrophobicContact CB-CD1 3.96Å; P16-Y27 HydrophobicContact CB-CE1 3.75Å; P16-Y27 HydrophobicContact CG-CE1 4.39Å |
| 17 | L | 72.8 | Confident | 71.8 | Confident | 58 Ų | 58 | 68.9 Ų | 68.9 | 30% | 0.304 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | -42.2 | -179 | -68.9 | 171.9 | 0 | 0 | 0 | 111.9 | E15 M26 | E15-L17 PolarHBondContact O-N 3.43Å; L17-M26 HydrophobicContact CB-CG 4.18Å; L17-M26 HydrophobicContact CB-SD 4.03Å; L17-M26 HydrophobicContact CD1-CG 4.01Å; L17-M26 HydrophobicContact CD1-SD 3.65Å; L17-M26 HydrophobicContact CG-SD 4.49Å; L17-M26 PolarHBondContact N-O 2.98Å |
| 18 | L | 77.9 | Confident | 74.1 | Confident | 49 Ų | 49 | 66.1 Ų | 66.1 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 151.6 | 177.6 | -174.8 | 57.7 | 0 | 0 | 0 | 110.3 | L20 T25 M26 P87 | L18-L20 HydrophobicContact CD2-CD2 3.82Å; L18-L20 HydrophobicContact CG-CD2 4.39Å; L18-T25 WeakPolarHBondContact O-CA 3.36Å; L18-M26 PolarHBondContact N-O 3.31Å; L18-M26 PolarHBondContact O-N 2.93Å; L18-P87 HydrophobicContact CB-CG 3.95Å; L18-P87 HydrophobicContact CD2-CB 3.63Å; L18-P87 HydrophobicContact CD2-CG 3.69Å; L18-P87 HydrophobicContact CG-CG 4.48Å |
| 19 | T | 76.9 | Confident | 76 | Confident | 79 Ų | 79 | 63.2 Ų | 63.2 | 49% | 0.485 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 115.5 | 157.3 | -61.4 | 0 | 0 | 0 | 0 | 108.4 | L24 T25 | T19-L24 WeakPolarHBondContact CA-O 3.42Å; T19-T25 WeakPolarHBondContact OG1-CG2 3.1Å; T19-T25 PolarHBondContact OG1-OG1 3.49Å |
| 20 | L | 70.2 | Confident | 77.6 | Confident | 11 Ų | 11 | 55.5 Ų | 55.5 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | trans | -67.8 | 156.9 | -179.4 | -61.4 | 171.3 | 0 | 0 | 0 | 110.7 | L18 S22 G23 L24 F131 | L18-L20 HydrophobicContact CD2-CD2 3.82Å; L18-L20 HydrophobicContact CG-CD2 4.39Å; L20-S22 PolarHBondContact O-N 3.49Å; L20-G23 PolarHBondContact O-N 2.93Å; L20-L24 HydrophobicContact CD1-CB 4.42Å; L20-L24 HydrophobicContact CD1-CD2 4.25Å; L20-L24 HydrophobicContact CD1-CG 4.42Å; L20-L24 PolarHBondContact N-O 3.49Å; L20-F131 HydrophobicContact CD1-CE1 4.49Å; L20-F131 HydrophobicContact CD1-CZ 4.2Å | ||
| 21 | P | 64 | Low | 78.8 | Confident | 106 Ų | 106 | 52.2 Ų | 52.2 | 69% | 0.688 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -25.5 | 178.2 | -27.9 | 36 | 0 | 0 | 0 | 114.7 | G23 | P21-G23 PolarHBondContact O-N 2.81Š|
| 22 | S | 63.2 | Low | 79.2 | Confident | 58 Ų | 58 | 57.7 Ų | 57.7 | 41% | 0.406 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -2.2 | 172.8 | 57.7 | 0 | 0 | 0 | 0 | 114.9 | L20 L24 | L20-S22 PolarHBondContact O-N 3.49Å; S22-L24 VanDerWaalsContact C-N 3.33Å |
| 23 | G | 69.3 | Low | 79.5 | Confident | 32 Ų | 32 | 56.6 Ų | 56.6 | 33% | 0.33 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 77.9 | 16.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L20 P21 | L20-G23 PolarHBondContact O-N 2.93Å; P21-G23 PolarHBondContact O-N 2.81Å |
| 24 | L | 80.5 | Confident | 79.8 | Confident | 14 Ų | 14 | 56.5 Ų | 56.5 | 7% | 0.073 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -94.3 | 120.3 | 178.1 | 177.6 | 54.8 | 0 | 0 | 0 | 110.6 | T19 L20 S22 F40 V41 H42 | T19-L24 WeakPolarHBondContact CA-O 3.42Å; L20-L24 HydrophobicContact CD1-CB 4.42Å; L20-L24 HydrophobicContact CD1-CD2 4.25Å; L20-L24 HydrophobicContact CD1-CG 4.42Å; L20-L24 PolarHBondContact N-O 3.49Å; S22-L24 VanDerWaalsContact C-N 3.33Å; L24-F40 HydrophobicContact CD1-CB 4.12Å; L24-F40 HydrophobicContact CD2-CB 4.33Å; L24-F40 HydrophobicContact CD2-CD1 3.85Å; L24-F40 HydrophobicContact CG-CB 4.45Å; L24-F40 HydrophobicContact CG-CD1 4.24Å; L24-V41 WeakPolarHBondContact CD1-O 3.17Å; L24-H42 HydrophobicContact CD1-CB 4.37Å; L24-H42 VanDerWaalsContact CD2-CE1 3.41Å; L24-H42 WeakPolarHBondContact CD2-CE1 3.28Å |
| 25 | T | 86.8 | Confident | 80.2 | Confident | 26 Ų | 26 | 57.9 Ų | 57.9 | 16% | 0.16 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 126.6 | 177.2 | -50.4 | 0 | 0 | 0 | 0 | 110.9 | P16 L18 T19 Y27 V41 | P16-T25 HydrophobicContact CB-CG2 3.97Å; L18-T25 WeakPolarHBondContact O-CA 3.36Å; T19-T25 WeakPolarHBondContact OG1-CG2 3.1Å; T19-T25 PolarHBondContact OG1-OG1 3.49Å; T25-Y27 HydrophobicContact CG2-CD2 4.01Å; T25-Y27 HydrophobicContact CG2-CE1 4.44Å; T25-Y27 HydrophobicContact CG2-CE2 3.39Å; T25-V41 PolarHBondContact O-N 3.25Å |
| 26 | M | 90.6 | Very high | 81 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 136.4 | 168.9 | 178.7 | -168.3 | -89.9 | 0 | 0 | 109.6 | P16 L17 L18 V39 F40 V85 F131 | P16-M26 CarbonylContact C-O 3.54Å; L17-M26 HydrophobicContact CB-CG 4.18Å; L17-M26 HydrophobicContact CB-SD 4.03Å; L17-M26 HydrophobicContact CD1-CG 4.01Å; L17-M26 HydrophobicContact CD1-SD 3.65Å; L17-M26 HydrophobicContact CG-SD 4.49Å; L17-M26 PolarHBondContact N-O 2.98Å; L18-M26 PolarHBondContact N-O 3.31Å; L18-M26 PolarHBondContact O-N 2.93Å; M26-V39 CarbonylContact C-O 3.55Å; M26-V39 WeakPolarHBondContact CA-O 3.42Å; M26-F40 HydrophobicContact CE-CD1 4.43Å; M26-F40 HydrophobicContact CE-CE1 3.52Å; M26-F40 HydrophobicContact CE-CE2 3.91Å; M26-F40 HydrophobicContact CE-CZ 3.21Å; M26-V85 HydrophobicContact CE-CG2 3.87Å; M26-F131 HydrophobicContact CE-CD1 3.43Å; M26-F131 VanDerWaalsContact CE-CD1 3.43Å; M26-F131 HydrophobicContact CE-CE1 3.54Å; M26-F131 HydrophobicContact CE-CG 4.4Å |
| 27 | Y | 90.1 | Very high | 81.8 | Confident | 62 Ų | 62 | 48.7 Ų | 48.7 | 24% | 0.243 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 147.8 | 173.6 | -66.7 | -98.2 | 0 | 0 | 0 | 111.3 | L13 P16 T25 V39 V41 | L13-Y27 HydrophobicContact CB-CD1 4.5Å; L13-Y27 HydrophobicContact CD1-CG 4.46Å; P16-Y27 HydrophobicContact CB-CD1 3.96Å; P16-Y27 HydrophobicContact CB-CE1 3.75Å; P16-Y27 HydrophobicContact CG-CE1 4.39Å; T25-Y27 HydrophobicContact CG2-CD2 4.01Å; T25-Y27 HydrophobicContact CG2-CE1 4.44Å; T25-Y27 HydrophobicContact CG2-CE2 3.39Å; Y27-V39 PolarHBondContact N-O 3.26Å; Y27-V39 PolarHBondContact O-N 3.32Å; Y27-V41 HydrophobicContact CD2-CB 4.22Å; Y27-V41 HydrophobicContact CD2-CG2 3.49Å; Y27-V41 VanDerWaalsContact CD2-CG2 3.49Å; Y27-V41 HydrophobicContact CE2-CB 3.91Å; Y27-V41 HydrophobicContact CE2-CG2 3.56Å |
| 28 | S | 89.8 | Confident | 82.8 | Confident | 7 Ų | 7 | 46 Ų | 46 | 5% | 0.049 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 141.9 | 159.5 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | E14 E15 R84 | E14-S28 PolarHBondContact N-O 2.77Å; E14-S28 WeakPolarHBondContact OE2-CB 3.39Å; E14-S28 PolarHBondContact OE2-OG 3.08Å; E15-S28 PolarHBondContact O-N 2.9Å; E15-S28 VanDerWaalsContact O-N 3.14Å; S28-R84 PolarHBondContact OG-NH1 3.5Å; S28-R84 PolarHBondContact OG-NH2 3.03Å |
| 29 | A | 89.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 158.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | I11 I12 L13 A37 V39 | I11-A29 HydrophobicContact CG2-CB 3.87Å; I12-A29 VanDerWaalsContact O-CA 3.24Å; I12-A29 WeakPolarHBondContact O-CA 3.5Å; I12-A29 WeakPolarHBondContact O-CB 3.35Å; L13-A29 HydrophobicContact CD2-CB 4.29Å; A29-A37 PolarHBondContact N-O 2.81Å; A29-A37 PolarHBondContact O-N 3.26Å; A29-V39 HydrophobicContact CB-CG2 3.56Å |
| 30 | V | 88.4 | Confident | 84.3 | Confident | 46 Ų | 46 | 40.3 Ų | 40.3 | 28% | 0.279 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 135.3 | 171.8 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | I12 E14 | I12-V30 PolarHBondContact N-O 3.13Å; I12-V30 PolarHBondContact O-N 3.13Å; E14-V30 WeakPolarHBondContact OE1-CG2 3.48Å |
| 31 | L | 87.6 | Confident | 85.3 | Confident | 20 Ų | 20 | 41.2 Ų | 41.2 | 11% | 0.105 | 24% | 0.243 | C | C | . | . | trans | -85 | 165.3 | 178.7 | -56.9 | 179.4 | 0 | 0 | 0 | 111.6 | M8 D33 G34 K35 A37 L69 V81 | M8-L31 HydrophobicContact CE-CD2 3.93Å; L31-D33 WeakPolarHBondContact CB-OD1 3.14Å; L31-D33 PolarHBondContact O-N 2.61Å; L31-D33 VanDerWaalsContact O-N 3.08Å; L31-G34 PolarHBondContact O-N 3.09Å; L31-K35 HydrophobicContact CD1-CB 4.42Å; L31-K35 PolarHBondContact N-O 3.2Å; L31-A37 HydrophobicContact CD1-CB 4.23Å; L31-A37 HydrophobicContact CD2-CB 3.89Å; L31-A37 HydrophobicContact CG-CB 3.91Å; L31-L69 HydrophobicContact CD1-CD1 3.84Å; L31-V81 HydrophobicContact CD2-CG1 4.12Å | ||
| 32 | Q | 81.1 | Confident | 86.4 | Confident | 131 Ų | 131 | 37 Ų | 37 | 61% | 0.612 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -30.9 | 178.8 | -67 | -177 | 12.6 | 0 | 0 | 114.1 | R9 G34 | R9-Q32 PolarHBondContact O-NE2 2.97Å; Q32-G34 PolarHBondContact O-N 2.95Å |
| 33 | D | 82.3 | Confident | 87.5 | Confident | 93 Ų | 93 | 41.2 Ų | 41.2 | 50% | 0.497 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 12.3 | -179.6 | 68.8 | -11.3 | 0 | 0 | 0 | 113.4 | L31 K35 | L31-D33 WeakPolarHBondContact CB-OD1 3.14Å; L31-D33 PolarHBondContact O-N 2.61Å; L31-D33 VanDerWaalsContact O-N 3.08Å; D33-K35 PolarHBondContact O-N 3.37Å; D33-K35 WeakPolarHBondContact OD1-CB 3.36Å; D33-K35 WeakPolarHBondContact OD1-CG 3.49Å; D33-K35 PolarHBondContact OD1-N 3.04Å; D33-K35 WeakPolarHBondContact OD2-CD 3.41Å; D33-K35 IonicContact OD2-NZ 3.82Å; D33-K35 PolarHBondContact OD2-NZ 3.26Å |
| 34 | G | 83.8 | Confident | 88.1 | Confident | 56 Ų | 56 | 46.5 Ų | 46.5 | 58% | 0.577 | 24% | 0.242 | S | C | * | . | S | Bend | trans | 75.9 | 2.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L31 Q32 | L31-G34 PolarHBondContact O-N 3.09Å; Q32-G34 PolarHBondContact O-N 2.95Å |
| 35 | K | 87.9 | Confident | 88.2 | Confident | 122 Ų | 122 | 48.9 Ų | 48.9 | 53% | 0.53 | 27% | 0.27 | S | S | . | . | trans | -77.3 | 139.2 | 178.4 | -64.1 | -170.6 | -176.1 | 96 | 0 | 111.2 | L31 D33 | L31-K35 HydrophobicContact CD1-CB 4.42Å; L31-K35 PolarHBondContact N-O 3.2Å; D33-K35 PolarHBondContact O-N 3.37Å; D33-K35 WeakPolarHBondContact OD1-CB 3.36Å; D33-K35 WeakPolarHBondContact OD1-CG 3.49Å; D33-K35 PolarHBondContact OD1-N 3.04Å; D33-K35 WeakPolarHBondContact OD2-CD 3.41Å; D33-K35 IonicContact OD2-NZ 3.82Å; D33-K35 PolarHBondContact OD2-NZ 3.26Å | ||
| 36 | P | 91.3 | Very high | 88.1 | Confident | 52 Ų | 52 | 49.8 Ų | 49.8 | 34% | 0.338 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 148 | 172.4 | 31.6 | -35.2 | 0 | 0 | 0 | 110.8 | R84 | P36-R84 HydrophobicContact CB-CB 4.11Å; P36-R84 HydrophobicContact CB-CG 4Å; P36-R84 HydrophobicContact CG-CB 4.21Å; P36-R84 HydrophobicContact CG-CG 4.32Å |
| 37 | A | 93.8 | Very high | 88 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 173.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | A29 L31 L69 V81 T82 R84 | A29-A37 PolarHBondContact N-O 2.81Å; A29-A37 PolarHBondContact O-N 3.26Å; L31-A37 HydrophobicContact CD1-CB 4.23Å; L31-A37 HydrophobicContact CD2-CB 3.89Å; L31-A37 HydrophobicContact CG-CB 3.91Å; A37-L69 HydrophobicContact CB-CD1 4.28Å; A37-V81 HydrophobicContact CB-CG1 4.21Å; A37-T82 WeakPolarHBondContact CB-O 3.21Å; A37-R84 WeakPolarHBondContact O-CD 3.31Å; A37-R84 PolarHBondContact O-NH1 3.45Å |
| 38 | S | 94.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 140.9 | 166.2 | -58.4 | 0 | 0 | 0 | 0 | 109.1 | T82 V85 | S38-T82 PolarHBondContact N-O 3.03Å; S38-T82 PolarHBondContact O-N 3.05Å; S38-T82 PolarHBondContact O-OG1 2.95Å; S38-V85 PolarHBondContact OG-N 2.69Å; S38-V85 PolarHBondContact OG-O 2.67Å |
| 39 | V | 93.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 125 | -178.1 | -178 | 0 | 0 | 0 | 0 | 110.1 | I11 L13 M26 Y27 A29 V41 H79 L80 V81 | I11-V39 HydrophobicContact CG2-CG2 4.12Å; L13-V39 HydrophobicContact CD2-CB 3.84Å; L13-V39 HydrophobicContact CD2-CG1 4Å; L13-V39 HydrophobicContact CD2-CG2 3.85Å; M26-V39 CarbonylContact C-O 3.55Å; M26-V39 WeakPolarHBondContact CA-O 3.42Å; Y27-V39 PolarHBondContact N-O 3.26Å; Y27-V39 PolarHBondContact O-N 3.32Å; A29-V39 HydrophobicContact CB-CG2 3.56Å; V39-V41 HydrophobicContact CG1-CG2 4.01Å; V39-H79 HydrophobicContact CG1-CB 3.77Å; V39-L80 WeakPolarHBondContact CA-O 3.42Å; V39-V81 HydrophobicContact CG2-CG1 4.22Å; V39-V81 HydrophobicContact CG2-CG2 4.28Å |
| 40 | F | 92.2 | Very high | 88 | Confident | 10 Ų | 10 | 61.8 Ų | 61.8 | 4% | 0.044 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 116.3 | 173.9 | -63.4 | -98.6 | 0 | 0 | 0 | 108.6 | L24 M26 L66 L80 T82 F131 | L24-F40 HydrophobicContact CD1-CB 4.12Å; L24-F40 HydrophobicContact CD2-CB 4.33Å; L24-F40 HydrophobicContact CD2-CD1 3.85Å; L24-F40 HydrophobicContact CG-CB 4.45Å; L24-F40 HydrophobicContact CG-CD1 4.24Å; M26-F40 HydrophobicContact CE-CD1 4.43Å; M26-F40 HydrophobicContact CE-CE1 3.52Å; M26-F40 HydrophobicContact CE-CE2 3.91Å; M26-F40 HydrophobicContact CE-CZ 3.21Å; F40-L66 HydrophobicContact CE2-CD2 3.83Å; F40-L66 HydrophobicContact CZ-CD2 3.79Å; F40-L80 HydrophobicContact CB-CB 4.25Å; F40-L80 PolarHBondContact N-O 3.48Å; F40-L80 PolarHBondContact O-N 2.95Å; F40-T82 HydrophobicContact CD2-CG2 4.07Å; F40-T82 HydrophobicContact CE2-CG2 3.8Å; F40-F131 AromaticContact CE1-CE1 3.8Å; F40-F131 HydrophobicContact CE1-CE1 3.8Å; F40-F131 HydrophobicContact CE1-CE2 4.39Å; F40-F131 AromaticContact CE1-CZ 3.7Å; F40-F131 HydrophobicContact CE1-CZ 3.7Å; F40-F131 HydrophobicContact CZ-CD1 4.31Å; F40-F131 AromaticContact CZ-CE1 3.96Å; F40-F131 HydrophobicContact CZ-CE1 3.96Å; F40-F131 HydrophobicContact CZ-CE2 4.31Å; F40-F131 AromaticContact CZ-CZ 3.98Å; F40-F131 HydrophobicContact CZ-CZ 3.98Å |
| 41 | V | 90.9 | Very high | 88.1 | Confident | 29 Ų | 29 | 64 Ų | 64 | 18% | 0.176 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 100.6 | -175 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | L13 L24 T25 Y27 V39 | L13-V41 HydrophobicContact CD1-CG2 4.47Å; L24-V41 WeakPolarHBondContact CD1-O 3.17Å; T25-V41 PolarHBondContact O-N 3.25Å; Y27-V41 HydrophobicContact CD2-CB 4.22Å; Y27-V41 HydrophobicContact CD2-CG2 3.49Å; Y27-V41 VanDerWaalsContact CD2-CG2 3.49Å; Y27-V41 HydrophobicContact CE2-CB 3.91Å; Y27-V41 HydrophobicContact CE2-CG2 3.56Å; V39-V41 HydrophobicContact CG1-CG2 4.01Å |
| 42 | H | 88.5 | Confident | 88.4 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 8% | 0.083 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 140.4 | 177.6 | -59.3 | -106.2 | 0 | 0 | 0 | 111 | L24 N46 V50 G77 I78 | L24-H42 HydrophobicContact CD1-CB 4.37Å; L24-H42 VanDerWaalsContact CD2-CE1 3.41Å; L24-H42 WeakPolarHBondContact CD2-CE1 3.28Å; H42-N46 HydrophobicContact CB-CB 4.48Å; H42-V50 HydrophobicContact CB-CG2 3.64Å; H42-V50 VanDerWaalsContact CD2-CG2 3.47Å; H42-V50 WeakPolarHBondContact CD2-CG2 3.36Å; H42-G77 CarbonylContact O-C 3.53Å; H42-G77 VanDerWaalsContact O-CA 3.28Å; H42-G77 WeakPolarHBondContact O-CA 3.39Å; H42-I78 HydrophobicContact CB-CB 4.33Å; H42-I78 PolarHBondContact N-O 3.13Å; H42-I78 PolarHBondContact O-N 2.74Å |
| 43 | K | 86.6 | Confident | 89 | Confident | 146 Ų | 146 | 59.7 Ų | 59.7 | 64% | 0.635 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 144.7 | 173.9 | -61.1 | 175.9 | -175.1 | 174.5 | 0 | 110.8 | N46 | K43-N46 PolarHBondContact O-N 2.8Å; K43-N46 PolarHBondContact O-ND2 2.95Å |
| 44 | Q | 80.9 | Confident | 89.6 | Confident | 144 Ų | 144 | 55.4 Ų | 55.4 | 67% | 0.673 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | 145.7 | 174.6 | -162.8 | 171.7 | 21.7 | 0 | 0 | 112 | ||
| 45 | G | 82.1 | Confident | 90.1 | Very high | 64 Ų | 64 | 59.8 Ų | 59.8 | 66% | 0.66 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 4.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 46 | N | 85.8 | Confident | 90.5 | Very high | 45 Ų | 45 | 55.3 Ų | 55.3 | 24% | 0.241 | 29% | 0.285 | C | S | . | . | trans | -102.8 | 18.8 | 167.4 | -68.2 | -85.9 | 0 | 0 | 0 | 112.8 | H42 K43 D48 K49 V50 | H42-N46 HydrophobicContact CB-CB 4.48Å; K43-N46 PolarHBondContact O-N 2.8Å; K43-N46 PolarHBondContact O-ND2 2.95Å; N46-D48 PolarHBondContact O-N 2.77Å; N46-K49 HydrophobicContact CB-CD 4.43Å; N46-K49 WeakPolarHBondContact O-CB 3.46Å; N46-K49 PolarHBondContact O-N 2.88Å; N46-K49 PolarHBondContact OD1-NZ 3.13Å; N46-V50 PolarHBondContact O-N 3.42Å; N46-V50 VanDerWaalsContact O-N 3.13Å | ||
| 47 | E | 88.4 | Confident | 90.7 | Very high | 90 Ų | 90 | 53.6 Ų | 53.6 | 42% | 0.421 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -54.5 | -46.8 | -170.9 | -68.5 | 170.9 | -146.3 | 0 | 0 | 112.7 | K49 V50 N51 I78 | E47-K49 VanDerWaalsContact C-N 3.31Å; E47-K49 PolarHBondContact O-N 3.34Å; E47-V50 PolarHBondContact O-N 2.86Å; E47-N51 VanDerWaalsContact O-CB 3.27Å; E47-N51 WeakPolarHBondContact O-CB 3.28Å; E47-N51 VanDerWaalsContact O-CG 3.22Å; E47-N51 PolarHBondContact O-N 3.41Å; E47-N51 PolarHBondContact O-ND2 2.91Å; E47-N51 VanDerWaalsContact O-ND2 3.17Å; E47-I78 HydrophobicContact CB-CD1 4.14Å; E47-I78 HydrophobicContact CG-CD1 3.46Å; E47-I78 VanDerWaalsContact CG-CD1 3.46Å; E47-I78 HydrophobicContact CG-CG1 4.39Å |
| 48 | D | 88.6 | Confident | 90.7 | Very high | 138 Ų | 138 | 58.6 Ų | 58.6 | 74% | 0.738 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60.5 | -38.4 | 178 | -58.4 | -51.5 | 0 | 0 | 0 | 113.1 | N46 K52 | N46-D48 PolarHBondContact O-N 2.77Å; D48-K52 WeakPolarHBondContact O-CB 3.37Å; D48-K52 PolarHBondContact O-N 2.85Å |
| 49 | K | 88.4 | Confident | 90.7 | Very high | 93 Ų | 93 | 63.1 Ų | 63.1 | 40% | 0.404 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.7 | -45.8 | 178.5 | -61.5 | 178.4 | -170 | 161.9 | 0 | 110.8 | N46 E47 K52 A53 E144 | N46-K49 HydrophobicContact CB-CD 4.43Å; N46-K49 WeakPolarHBondContact O-CB 3.46Å; N46-K49 PolarHBondContact O-N 2.88Å; N46-K49 PolarHBondContact OD1-NZ 3.13Å; E47-K49 VanDerWaalsContact C-N 3.31Å; E47-K49 PolarHBondContact O-N 3.34Å; K49-K52 PolarHBondContact O-N 3.1Å; K49-A53 WeakPolarHBondContact O-CB 3.17Å; K49-A53 PolarHBondContact O-N 3.16Å; K49-E144 HydrophobicContact CB-CB 4.01Å |
| 50 | V | 91.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.7 | -41.1 | 179.6 | -172.9 | 0 | 0 | 0 | 0 | 111 | H42 N46 E47 K52 A53 A54 I78 L80 | H42-V50 HydrophobicContact CB-CG2 3.64Å; H42-V50 VanDerWaalsContact CD2-CG2 3.47Å; H42-V50 WeakPolarHBondContact CD2-CG2 3.36Å; N46-V50 PolarHBondContact O-N 3.42Å; N46-V50 VanDerWaalsContact O-N 3.13Å; E47-V50 PolarHBondContact O-N 2.86Å; V50-K52 VanDerWaalsContact C-N 3.35Å; V50-K52 PolarHBondContact O-N 3.41Å; V50-A53 PolarHBondContact O-N 3.26Å; V50-A54 WeakPolarHBondContact O-CB 3.17Å; V50-A54 PolarHBondContact O-N 3.13Å; V50-I78 HydrophobicContact CB-CD1 4.36Å; V50-I78 HydrophobicContact CB-CG2 4.2Å; V50-I78 HydrophobicContact CG1-CG2 3.8Å; V50-I78 HydrophobicContact CG2-CB 4.3Å; V50-I78 HydrophobicContact CG2-CD1 3.93Å; V50-I78 HydrophobicContact CG2-CG2 4.36Å; V50-L80 HydrophobicContact CG1-CB 4.05Å |
| 51 | N | 91.8 | Very high | 90.8 | Very high | 94 Ų | 94 | 73.5 Ų | 73.5 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 175.5 | -72.9 | -29.9 | 0 | 0 | 0 | 111.6 | E47 K55 | E47-N51 VanDerWaalsContact O-CB 3.27Å; E47-N51 WeakPolarHBondContact O-CB 3.28Å; E47-N51 VanDerWaalsContact O-CG 3.22Å; E47-N51 PolarHBondContact O-N 3.41Å; E47-N51 PolarHBondContact O-ND2 2.91Å; E47-N51 VanDerWaalsContact O-ND2 3.17Å; N51-K55 VanDerWaalsContact O-CB 3.27Å; N51-K55 WeakPolarHBondContact O-CB 3.37Å; N51-K55 PolarHBondContact O-N 3.48Å |
| 52 | K | 92.8 | Very high | 91 | Very high | 58 Ų | 58 | 74.1 Ų | 74.1 | 25% | 0.252 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.1 | -47.3 | 174 | -175.2 | -179.1 | 176 | -153.9 | 0 | 112.2 | D48 K49 V50 K55 H56 E144 V146 | D48-K52 WeakPolarHBondContact O-CB 3.37Å; D48-K52 PolarHBondContact O-N 2.85Å; K49-K52 PolarHBondContact O-N 3.1Å; V50-K52 VanDerWaalsContact C-N 3.35Å; V50-K52 PolarHBondContact O-N 3.41Å; K52-K55 WeakPolarHBondContact O-CB 3.36Å; K52-K55 PolarHBondContact O-N 2.89Å; K52-H56 PolarHBondContact O-N 3.47Å; K52-H56 PolarHBondContact O-ND1 2.97Å; K52-E144 WeakPolarHBondContact CD-O 3.4Å; K52-E144 WeakPolarHBondContact CE-O 3.4Å; K52-E144 PolarHBondContact NZ-O 3.1Å; K52-V146 WeakPolarHBondContact CE-O 3.39Å; K52-V146 PolarHBondContact NZ-O 2.83Å |
| 53 | A | 93.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 77.8 Ų | 77.8 | 1% | 0.008 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.6 | -49.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K49 V50 K55 H56 L57 L80 M143 E144 | K49-A53 WeakPolarHBondContact O-CB 3.17Å; K49-A53 PolarHBondContact O-N 3.16Å; V50-A53 PolarHBondContact O-N 3.26Å; A53-K55 VanDerWaalsContact C-N 3.32Å; A53-K55 PolarHBondContact O-N 3.11Å; A53-H56 PolarHBondContact O-N 3.31Å; A53-L57 WeakPolarHBondContact O-CD1 3.17Å; A53-L57 VanDerWaalsContact O-CG 3.23Å; A53-L57 WeakPolarHBondContact O-CG 3.26Å; A53-L57 PolarHBondContact O-N 3.13Å; A53-L80 HydrophobicContact CB-CD2 4.43Å; A53-M143 HydrophobicContact CB-CB 4.18Å; A53-E144 HydrophobicContact CB-CB 4.25Å |
| 54 | A | 94.6 | Very high | 91.8 | Very high | 4 Ų | 4 | 71.3 Ų | 71.3 | 3% | 0.033 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.9 | -36.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V50 K58 F68 L80 | V50-A54 WeakPolarHBondContact O-CB 3.17Å; V50-A54 PolarHBondContact O-N 3.13Å; A54-K58 WeakPolarHBondContact O-CB 3.4Å; A54-K58 WeakPolarHBondContact O-CD 3.46Å; A54-K58 WeakPolarHBondContact O-CG 3.42Å; A54-K58 PolarHBondContact O-N 3.06Å; A54-K58 VanDerWaalsContact O-N 3.14Å; A54-F68 HydrophobicContact CB-CD2 4.25Å; A54-F68 HydrophobicContact CB-CE2 3.72Å; A54-L80 HydrophobicContact CB-CD1 4.22Å |
| 55 | K | 95.1 | Very high | 92.6 | Very high | 147 Ų | 147 | 64.7 Ų | 64.7 | 64% | 0.639 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.6 | -48 | 173.6 | -177.1 | -179 | 180 | -177.4 | 0 | 110.8 | N51 K52 A53 K58 T59 | N51-K55 VanDerWaalsContact O-CB 3.27Å; N51-K55 WeakPolarHBondContact O-CB 3.37Å; N51-K55 PolarHBondContact O-N 3.48Å; K52-K55 WeakPolarHBondContact O-CB 3.36Å; K52-K55 PolarHBondContact O-N 2.89Å; A53-K55 VanDerWaalsContact C-N 3.32Å; A53-K55 PolarHBondContact O-N 3.11Å; K55-K58 PolarHBondContact O-N 3.09Å; K55-T59 PolarHBondContact O-N 2.93Å; K55-T59 PolarHBondContact O-OG1 3.35Å; K55-T59 VanDerWaalsContact O-OG1 3.1Å |
| 56 | H | 95.8 | Very high | 93.2 | Very high | 29 Ų | 29 | 62 Ų | 62 | 13% | 0.134 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.8 | -48 | 177.6 | -72.4 | 140.1 | 0 | 0 | 0 | 112.8 | K52 A53 K58 T59 L60 M143 V146 | K52-H56 PolarHBondContact O-N 3.47Å; K52-H56 PolarHBondContact O-ND1 2.97Å; A53-H56 PolarHBondContact O-N 3.31Å; H56-K58 PolarHBondContact O-N 3.43Å; H56-T59 PolarHBondContact O-N 3.15Å; H56-T59 VanDerWaalsContact O-N 3.16Å; H56-T59 PolarHBondContact O-OG1 2.51Å; H56-L60 HydrophobicContact CB-CD1 4.19Å; H56-L60 WeakPolarHBondContact O-CB 3.13Å; H56-L60 PolarHBondContact O-N 3.25Å; H56-M143 HydrophobicContact CB-CB 3.86Å; H56-M143 HydrophobicContact CB-CG 4.43Å; H56-M143 PolarHBondContact ND1-O 3.37Å; H56-V146 PolarHBondContact CE1-O 2.95Å; H56-V146 VanDerWaalsContact CE1-O 3.29Å |
| 57 | L | 95.4 | Very high | 93.7 | Very high | 16 Ų | 16 | 66.3 Ų | 66.3 | 8% | 0.084 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65 | -21.3 | -179.8 | -60.8 | 159.7 | 0 | 0 | 0 | 113.2 | A53 L66 F68 L80 M143 | A53-L57 WeakPolarHBondContact O-CD1 3.17Å; A53-L57 VanDerWaalsContact O-CG 3.23Å; A53-L57 WeakPolarHBondContact O-CG 3.26Å; A53-L57 PolarHBondContact O-N 3.13Å; L57-L66 HydrophobicContact CD2-CB 4.13Å; L57-L66 WeakPolarHBondContact CD2-O 3.49Å; L57-F68 HydrophobicContact CB-CB 3.74Å; L57-F68 HydrophobicContact CB-CD2 4.42Å; L57-F68 HydrophobicContact CB-CG 4.49Å; L57-L80 HydrophobicContact CD1-CD1 4.34Å; L57-L80 HydrophobicContact CD1-CD2 4.09Å; L57-M143 HydrophobicContact CD2-CB 4.33Å; L57-M143 HydrophobicContact CD2-CE 4.27Å; L57-M143 HydrophobicContact CD2-CG 3.41Å; L57-M143 VanDerWaalsContact CD2-CG 3.41Å; L57-M143 HydrophobicContact CG-CB 4.1Å; L57-M143 HydrophobicContact CG-CG 3.69Å |
| 58 | K | 94.4 | Very high | 94 | Very high | 104 Ų | 104 | 63.9 Ų | 63.9 | 45% | 0.452 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -78.1 | -36.7 | 173.5 | -77.3 | 170.1 | -176.5 | -179.6 | 0 | 113.3 | A54 K55 H56 R61 F68 | A54-K58 WeakPolarHBondContact O-CB 3.4Å; A54-K58 WeakPolarHBondContact O-CD 3.46Å; A54-K58 WeakPolarHBondContact O-CG 3.42Å; A54-K58 PolarHBondContact O-N 3.06Å; A54-K58 VanDerWaalsContact O-N 3.14Å; K55-K58 PolarHBondContact O-N 3.09Å; H56-K58 PolarHBondContact O-N 3.43Å; K58-R61 PolarHBondContact O-NE 2.8Å; K58-R61 VanDerWaalsContact O-NE 3.1Å; K58-F68 HydrophobicContact CD-CE1 4.26Å; K58-F68 HydrophobicContact CD-CZ 4.4Å; K58-F68 HydrophobicContact CG-CD1 3.77Å; K58-F68 HydrophobicContact CG-CD2 4.5Å; K58-F68 HydrophobicContact CG-CE1 3.95Å; K58-F68 HydrophobicContact CG-CG 4.07Å; K58-F68 HydrophobicContact CG-CZ 4.39Å |
| 59 | T | 94.7 | Very high | 94.3 | Very high | 96 Ų | 96 | 59.9 Ų | 59.9 | 59% | 0.589 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -96.4 | -40.9 | -172.4 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | K55 H56 R61 | K55-T59 PolarHBondContact O-N 2.93Å; K55-T59 PolarHBondContact O-OG1 3.35Å; K55-T59 VanDerWaalsContact O-OG1 3.1Å; H56-T59 PolarHBondContact O-N 3.15Å; H56-T59 VanDerWaalsContact O-N 3.16Å; H56-T59 PolarHBondContact O-OG1 2.51Å; T59-R61 PolarHBondContact O-N 3.16Å; T59-R61 VanDerWaalsContact O-N 3.11Å |
| 60 | L | 94.7 | Very high | 94.5 | Very high | 25 Ų | 25 | 56.2 Ų | 56.2 | 13% | 0.131 | 27% | 0.267 | C | S | . | . | trans | -84.6 | 81.6 | 179.7 | -62.2 | 174.2 | 0 | 0 | 0 | 109.9 | H56 L65 F113 L114 V146 | H56-L60 HydrophobicContact CB-CD1 4.19Å; H56-L60 WeakPolarHBondContact O-CB 3.13Å; H56-L60 PolarHBondContact O-N 3.25Å; L60-L65 HydrophobicContact CB-CD1 3.96Å; L60-L65 WeakPolarHBondContact O-CD1 3.4Å; L60-F113 HydrophobicContact CB-CE1 4.28Å; L60-F113 HydrophobicContact CD2-CE1 4.37Å; L60-L114 HydrophobicContact CD1-CD1 3.64Å; L60-V146 HydrophobicContact CD1-CG1 4.44Å | ||
| 61 | R | 93.3 | Very high | 94.5 | Very high | 203 Ų | 203 | 58.3 Ų | 58.3 | 77% | 0.766 | 28% | 0.281 | S | S | * | . | trans | -92.6 | 109.6 | -178.6 | -61.2 | -175.3 | -177.3 | -164.8 | 1.4 | 111.2 | K58 T59 | K58-R61 PolarHBondContact O-NE 2.8Å; K58-R61 VanDerWaalsContact O-NE 3.1Å; T59-R61 PolarHBondContact O-N 3.16Å; T59-R61 VanDerWaalsContact O-N 3.11Å | ||
| 62 | H | 95.3 | Very high | 94.3 | Very high | 41 Ų | 41 | 54.8 Ų | 54.8 | 19% | 0.19 | 26% | 0.264 | C | S | . | . | trans | -150.6 | 143.7 | 176.7 | 174.6 | -100.9 | 0 | 0 | 0 | 109.8 | C64 L65 F113 | H62-C64 VanDerWaalsContact C-N 3.26Å; H62-C64 PolarHBondContact ND1-N 2.99Å; H62-C64 PolarHBondContact O-N 3.36Å; H62-C64 VanDerWaalsContact O-N 3.15Å; H62-L65 HydrophobicContact CB-CD1 3.9Å; H62-L65 HydrophobicContact CB-CG 3.94Å; H62-L65 PolarHBondContact O-N 2.94Å; H62-F113 HydrophobicContact CB-CD1 3.68Å; H62-F113 HydrophobicContact CB-CD2 4.01Å; H62-F113 HydrophobicContact CB-CE1 3.72Å; H62-F113 HydrophobicContact CB-CE2 4.05Å; H62-F113 HydrophobicContact CB-CG 3.84Å; H62-F113 HydrophobicContact CB-CZ 3.91Å; H62-F113 AromaticContact CD2-CD2 3.74Å; H62-F113 AromaticContact CD2-CG 3.78Å; H62-F113 AromaticContact CG-CG 3.75Å | ||
| 63 | P | 93.8 | Very high | 93.9 | Very high | 96 Ų | 96 | 57.1 Ų | 57.1 | 62% | 0.623 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -32 | -171.3 | -28.2 | 36.8 | 0 | 0 | 0 | 115.4 | K139 | P63-K139 WeakPolarHBondContact O-CD 3.32Å; P63-K139 VanDerWaalsContact O-CE 3.23Å; P63-K139 WeakPolarHBondContact O-CE 3.28Å; P63-K139 PolarHBondContact O-NZ 3.48Å |
| 64 | C | 97 | Very high | 93.3 | Very high | 9 Ų | 9 | 59.2 Ų | 59.2 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 10.2 | -178.4 | -44.2 | 0 | 0 | 0 | 0 | 113.2 | H62 D106 A110 K139 L140 | H62-C64 VanDerWaalsContact C-N 3.26Å; H62-C64 PolarHBondContact ND1-N 2.99Å; H62-C64 PolarHBondContact O-N 3.36Å; H62-C64 VanDerWaalsContact O-N 3.15Å; C64-D106 HydrophobicContact CB-CB 4.21Å; C64-D106 WeakPolarHBondContact CB-O 3.32Å; C64-A110 HydrophobicContact CB-CB 3.95Å; C64-A110 WeakPolarHBondContact O-CB 3.41Å; C64-K139 WeakPolarHBondContact O-CA 3.32Å; C64-L140 PolarHBondContact O-N 3.25Å |
| 65 | L | 97.4 | Very high | 92.2 | Very high | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -98.6 | 149.2 | 163.4 | -58.3 | -179.8 | 0 | 0 | 0 | 108.6 | L60 H62 R67 A110 F113 L140 M143 | L60-L65 HydrophobicContact CB-CD1 3.96Å; L60-L65 WeakPolarHBondContact O-CD1 3.4Å; H62-L65 HydrophobicContact CB-CD1 3.9Å; H62-L65 HydrophobicContact CB-CG 3.94Å; H62-L65 PolarHBondContact O-N 2.94Å; L65-R67 PolarHBondContact O-N 3.31Å; L65-A110 HydrophobicContact CD2-CB 3.85Å; L65-F113 HydrophobicContact CD1-CD1 3.9Å; L65-F113 HydrophobicContact CD1-CE1 3.78Å; L65-L140 HydrophobicContact CD2-CB 4Å; L65-L140 HydrophobicContact CD2-CD2 4.19Å; L65-M143 HydrophobicContact CB-CE 4.31Å; L65-M143 HydrophobicContact CD2-CE 3.76Å; L65-M143 HydrophobicContact CG-CE 4.44Å |
| 66 | L | 96 | Very high | 91.2 | Very high | 8 Ų | 8 | 62.1 Ų | 62.1 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -63 | 128.7 | 178.1 | -176.2 | 59.4 | 0 | 0 | 0 | 110.9 | F40 L57 T82 E83 V85 F131 K139 L140 | F40-L66 HydrophobicContact CE2-CD2 3.83Å; F40-L66 HydrophobicContact CZ-CD2 3.79Å; L57-L66 HydrophobicContact CD2-CB 4.13Å; L57-L66 WeakPolarHBondContact CD2-O 3.49Å; L66-T82 HydrophobicContact CD1-CG2 4.42Å; L66-T82 HydrophobicContact CD2-CG2 3.87Å; L66-T82 HydrophobicContact CG-CG2 3.91Å; L66-E83 HydrophobicContact CD1-CG 4.34Å; L66-V85 HydrophobicContact CD1-CB 4.35Å; L66-V85 HydrophobicContact CD1-CG1 3.66Å; L66-V85 HydrophobicContact CD1-CG2 3.73Å; L66-F131 HydrophobicContact CD2-CD2 4.21Å; L66-K139 HydrophobicContact CB-CB 4.32Å; L66-K139 HydrophobicContact CD1-CB 4.38Å; L66-L140 WeakPolarHBondContact CB-O 3.48Å; L66-L140 PolarHBondContact N-O 3.49Å |
| 67 | R | 95.5 | Very high | 90.6 | Very high | 136 Ų | 136 | 61 Ų | 61 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 118.7 | -175.7 | -171.8 | 169.9 | 52.8 | 94.1 | 1.8 | 112.8 | L65 T82 E83 | L65-R67 PolarHBondContact O-N 3.31Å; R67-T82 CarbonylContact O-C 3.3Å; R67-T82 VanDerWaalsContact O-CA 3.25Å; R67-T82 WeakPolarHBondContact O-CA 3.44Å; R67-T82 WeakPolarHBondContact O-CB 3.34Å; R67-E83 HydrophobicContact CB-CB 4.2Å; R67-E83 HydrophobicContact CB-CG 3.92Å; R67-E83 WeakPolarHBondContact CB-OE1 3.42Å; R67-E83 WeakPolarHBondContact CB-OE2 3.27Å; R67-E83 IonicContact CZ-OE2 3.85Å; R67-E83 VanDerWaalsContact CZ-OE2 3.27Å; R67-E83 PolarHBondContact N-OE1 3.12Å; R67-E83 IonicContact NE-OE2 2.74Å; R67-E83 PolarHBondContact NE-OE2 3.4Å; R67-E83 IonicContact NH2-OE2 3.29Å; R67-E83 PolarHBondContact NH2-OE2 3.39Å; R67-E83 PolarHBondContact O-N 3.1Å |
| 68 | F | 95.4 | Very high | 90.4 | Very high | 38 Ų | 38 | 60.6 Ų | 60.6 | 17% | 0.167 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 140.3 | 170.6 | -179.1 | -91.2 | 0 | 0 | 0 | 112.5 | A54 L57 K58 S70 C71 L80 | A54-F68 HydrophobicContact CB-CD2 4.25Å; A54-F68 HydrophobicContact CB-CE2 3.72Å; L57-F68 HydrophobicContact CB-CB 3.74Å; L57-F68 HydrophobicContact CB-CD2 4.42Å; L57-F68 HydrophobicContact CB-CG 4.49Å; K58-F68 HydrophobicContact CD-CE1 4.26Å; K58-F68 HydrophobicContact CD-CZ 4.4Å; K58-F68 HydrophobicContact CG-CD1 3.77Å; K58-F68 HydrophobicContact CG-CD2 4.5Å; K58-F68 HydrophobicContact CG-CE1 3.95Å; K58-F68 HydrophobicContact CG-CG 4.07Å; K58-F68 HydrophobicContact CG-CZ 4.39Å; F68-S70 WeakPolarHBondContact CE2-O 3.47Å; F68-C71 HydrophobicContact CE2-CB 4.04Å; F68-C71 HydrophobicContact CZ-CB 4.15Å; F68-L80 HydrophobicContact CD2-CD1 3.75Å; F68-L80 HydrophobicContact CE2-CD1 3.71Å |
| 69 | L | 94.2 | Very high | 90.2 | Very high | 54 Ų | 54 | 55.9 Ų | 55.9 | 28% | 0.283 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | -54.7 | 167.6 | -56.8 | -177 | 0 | 0 | 0 | 111.6 | L31 A37 V81 T82 | L31-L69 HydrophobicContact CD1-CD1 3.84Å; A37-L69 HydrophobicContact CB-CD1 4.28Å; L69-V81 HydrophobicContact CB-CG1 4.29Å; L69-V81 HydrophobicContact CD1-CG1 4.42Å; L69-V81 PolarHBondContact N-O 3.43Å; L69-T82 VanDerWaalsContact CD1-C 3.49Å; L69-T82 VanDerWaalsContact CD1-O 3.26Å; L69-T82 WeakPolarHBondContact CD1-O 3.37Å |
| 70 | S | 92.1 | Very high | 90.1 | Very high | 16 Ų | 16 | 51.8 Ų | 51.8 | 11% | 0.112 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 170.6 | 178.8 | 68.3 | 0 | 0 | 0 | 0 | 112.5 | M8 F68 V81 | M8-S70 WeakPolarHBondContact CE-OG 3.13Å; F68-S70 WeakPolarHBondContact CE2-O 3.47Å; S70-V81 PolarHBondContact N-O 3.41Å; S70-V81 PolarHBondContact O-N 3.4Å; S70-V81 WeakPolarHBondContact OG-CB 3.38Å; S70-V81 VanDerWaalsContact OG-CG2 3.32Å; S70-V81 WeakPolarHBondContact OG-CG2 3.43Å |
| 71 | C | 90.8 | Very high | 90.1 | Very high | 44 Ų | 44 | 50.6 Ų | 50.6 | 30% | 0.297 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 140.6 | 168.6 | -174.2 | 0 | 0 | 0 | 0 | 107.9 | F68 H79 | F68-C71 HydrophobicContact CE2-CB 4.04Å; F68-C71 HydrophobicContact CZ-CB 4.15Å; C71-H79 WeakPolarHBondContact CA-O 3.31Å |
| 72 | S | 87.8 | Confident | 90.2 | Very high | 20 Ų | 20 | 41 Ų | 41 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 155.9 | 179.6 | 57.3 | 0 | 0 | 0 | 0 | 111.2 | Q74 H79 | S72-Q74 PolarHBondContact OG-NE2 3.32Å; S72-H79 PolarHBondContact N-O 3.27Å; S72-H79 PolarHBondContact O-N 2.96Å |
| 73 | V | 85.5 | Confident | 90.2 | Very high | 107 Ų | 107 | 40 Ų | 40 | 65% | 0.648 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 124.6 | 171.6 | -179.1 | 0 | 0 | 0 | 0 | 108 | G77 I78 | V73-G77 WeakPolarHBondContact CA-O 3.49Å; V73-G77 WeakPolarHBondContact CG1-O 3.36Å; V73-I78 HydrophobicContact CG2-CG2 4.35Å |
| 74 | Q | 81.1 | Confident | 90.2 | Very high | 46 Ų | 46 | 38 Ų | 38 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 146 | -177.5 | -59.8 | -175.8 | 48.3 | 0 | 0 | 108.7 | S72 G76 G77 | S72-Q74 PolarHBondContact OG-NE2 3.32Å; Q74-G76 PolarHBondContact O-N 3.24Å; Q74-G77 PolarHBondContact N-O 3.48Å; Q74-G77 CarbonylContact O-C 3.58Å; Q74-G77 PolarHBondContact O-N 3.13Å |
| 75 | D | 70.9 | Confident | 90.1 | Very high | 158 Ų | 158 | 37.7 Ų | 37.7 | 85% | 0.845 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 30.4 | 170 | -52.6 | -32.1 | 0 | 0 | 0 | 116.9 | G77 | D75-G77 VanDerWaalsContact C-N 3.33Š|
| 76 | G | 74.4 | Confident | 90 | Very high | 53 Ų | 53 | 42 Ų | 42 | 55% | 0.546 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 6.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q74 | Q74-G76 PolarHBondContact O-N 3.24Š|
| 77 | G | 83.5 | Confident | 89.9 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 175.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | H42 V73 Q74 D75 | H42-G77 CarbonylContact O-C 3.53Å; H42-G77 VanDerWaalsContact O-CA 3.28Å; H42-G77 WeakPolarHBondContact O-CA 3.39Å; V73-G77 WeakPolarHBondContact CA-O 3.49Å; V73-G77 WeakPolarHBondContact CG1-O 3.36Å; Q74-G77 PolarHBondContact N-O 3.48Å; Q74-G77 CarbonylContact O-C 3.58Å; Q74-G77 PolarHBondContact O-N 3.13Å; D75-G77 VanDerWaalsContact C-N 3.33Å |
| 78 | I | 89.7 | Confident | 89.8 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 116.3 | 175.7 | -38.5 | 167.5 | 0 | 0 | 0 | 107.6 | H42 E47 V50 V73 | H42-I78 HydrophobicContact CB-CB 4.33Å; H42-I78 PolarHBondContact N-O 3.13Å; H42-I78 PolarHBondContact O-N 2.74Å; E47-I78 HydrophobicContact CB-CD1 4.14Å; E47-I78 HydrophobicContact CG-CD1 3.46Å; E47-I78 VanDerWaalsContact CG-CD1 3.46Å; E47-I78 HydrophobicContact CG-CG1 4.39Å; V50-I78 HydrophobicContact CB-CD1 4.36Å; V50-I78 HydrophobicContact CB-CG2 4.2Å; V50-I78 HydrophobicContact CG1-CG2 3.8Å; V50-I78 HydrophobicContact CG2-CB 4.3Å; V50-I78 HydrophobicContact CG2-CD1 3.93Å; V50-I78 HydrophobicContact CG2-CG2 4.36Å; V73-I78 HydrophobicContact CG2-CG2 4.35Å |
| 79 | H | 91.6 | Very high | 89.6 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.028 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 101.5 | -175.4 | -66.7 | -171.9 | 0 | 0 | 0 | 108.8 | V39 C71 S72 | V39-H79 HydrophobicContact CG1-CB 3.77Å; C71-H79 WeakPolarHBondContact CA-O 3.31Å; S72-H79 PolarHBondContact N-O 3.27Å; S72-H79 PolarHBondContact O-N 2.96Å |
| 80 | L | 93.1 | Very high | 89.4 | Confident | 10 Ų | 10 | 39.2 Ų | 39.2 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 119.4 | 169.4 | 172.8 | 63.3 | 0 | 0 | 0 | 108.4 | V39 F40 V50 A53 A54 L57 F68 | V39-L80 WeakPolarHBondContact CA-O 3.42Å; F40-L80 HydrophobicContact CB-CB 4.25Å; F40-L80 PolarHBondContact N-O 3.48Å; F40-L80 PolarHBondContact O-N 2.95Å; V50-L80 HydrophobicContact CG1-CB 4.05Å; A53-L80 HydrophobicContact CB-CD2 4.43Å; A54-L80 HydrophobicContact CB-CD1 4.22Å; L57-L80 HydrophobicContact CD1-CD1 4.34Å; L57-L80 HydrophobicContact CD1-CD2 4.09Å; F68-L80 HydrophobicContact CD2-CD1 3.75Å; F68-L80 HydrophobicContact CE2-CD1 3.71Å |
| 81 | V | 93.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 126.5 | -170.4 | -169.3 | 0 | 0 | 0 | 0 | 109.4 | I11 L31 A37 V39 L69 S70 | I11-V81 HydrophobicContact CD1-CG2 3.59Å; L31-V81 HydrophobicContact CD2-CG1 4.12Å; A37-V81 HydrophobicContact CB-CG1 4.21Å; V39-V81 HydrophobicContact CG2-CG1 4.22Å; V39-V81 HydrophobicContact CG2-CG2 4.28Å; L69-V81 HydrophobicContact CB-CG1 4.29Å; L69-V81 HydrophobicContact CD1-CG1 4.42Å; L69-V81 PolarHBondContact N-O 3.43Å; S70-V81 PolarHBondContact N-O 3.41Å; S70-V81 PolarHBondContact O-N 3.4Å; S70-V81 WeakPolarHBondContact OG-CB 3.38Å; S70-V81 VanDerWaalsContact OG-CG2 3.32Å; S70-V81 WeakPolarHBondContact OG-CG2 3.43Å |
| 82 | T | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 172.9 | -177.5 | 68.1 | 0 | 0 | 0 | 0 | 111.3 | A37 S38 F40 L66 R67 L69 | A37-T82 WeakPolarHBondContact CB-O 3.21Å; S38-T82 PolarHBondContact N-O 3.03Å; S38-T82 PolarHBondContact O-N 3.05Å; S38-T82 PolarHBondContact O-OG1 2.95Å; F40-T82 HydrophobicContact CD2-CG2 4.07Å; F40-T82 HydrophobicContact CE2-CG2 3.8Å; L66-T82 HydrophobicContact CD1-CG2 4.42Å; L66-T82 HydrophobicContact CD2-CG2 3.87Å; L66-T82 HydrophobicContact CG-CG2 3.91Å; R67-T82 CarbonylContact O-C 3.3Å; R67-T82 VanDerWaalsContact O-CA 3.25Å; R67-T82 WeakPolarHBondContact O-CA 3.44Å; R67-T82 WeakPolarHBondContact O-CB 3.34Å; L69-T82 VanDerWaalsContact CD1-C 3.49Å; L69-T82 VanDerWaalsContact CD1-O 3.26Å; L69-T82 WeakPolarHBondContact CD1-O 3.37Å |
| 83 | E | 94.6 | Very high | 89.5 | Confident | 22 Ų | 22 | 44.6 Ų | 44.6 | 10% | 0.103 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 157.4 | 164.2 | 74.1 | -170.9 | 158.5 | 0 | 0 | 112.2 | L66 R67 V85 K139 | L66-E83 HydrophobicContact CD1-CG 4.34Å; R67-E83 HydrophobicContact CB-CB 4.2Å; R67-E83 HydrophobicContact CB-CG 3.92Å; R67-E83 WeakPolarHBondContact CB-OE1 3.42Å; R67-E83 WeakPolarHBondContact CB-OE2 3.27Å; R67-E83 IonicContact CZ-OE2 3.85Å; R67-E83 VanDerWaalsContact CZ-OE2 3.27Å; R67-E83 PolarHBondContact N-OE1 3.12Å; R67-E83 IonicContact NE-OE2 2.74Å; R67-E83 PolarHBondContact NE-OE2 3.4Å; R67-E83 IonicContact NH2-OE2 3.29Å; R67-E83 PolarHBondContact NH2-OE2 3.39Å; R67-E83 PolarHBondContact O-N 3.1Å; E83-V85 HydrophobicContact CG-CG1 4.07Å; E83-V85 PolarHBondContact O-N 1.81Å; E83-V85 VanDerWaalsContact O-N 3.17Å; E83-K139 IonicContact OE1-NZ 3.71Å; E83-K139 PolarHBondContact OE1-NZ 2.97Å; E83-K139 IonicContact OE2-NZ 2.88Å |
| 84 | R | 94.9 | Very high | 89.6 | Confident | 54 Ų | 54 | 43.6 Ų | 43.6 | 20% | 0.204 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -63.2 | 115.5 | 179.9 | -177.8 | 52.3 | 158 | -132.2 | 0.2 | 110.8 | S28 P36 A37 E134 | S28-R84 PolarHBondContact OG-NH1 3.5Å; S28-R84 PolarHBondContact OG-NH2 3.03Å; P36-R84 HydrophobicContact CB-CB 4.11Å; P36-R84 HydrophobicContact CB-CG 4Å; P36-R84 HydrophobicContact CG-CB 4.21Å; P36-R84 HydrophobicContact CG-CG 4.32Å; A37-R84 WeakPolarHBondContact O-CD 3.31Å; A37-R84 PolarHBondContact O-NH1 3.45Å; R84-E134 HydrophobicContact CB-CG 4.11Å; R84-E134 HydrophobicContact CG-CG 3.65Å; R84-E134 VanDerWaalsContact CG-OE1 3.29Å; R84-E134 WeakPolarHBondContact CG-OE1 3.32Å |
| 85 | V | 95.4 | Very high | 90 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 155.6 | 175.5 | -61.8 | 0 | 0 | 0 | 0 | 111.2 | M26 S38 L66 E83 F131 V132 K139 | M26-V85 HydrophobicContact CE-CG2 3.87Å; S38-V85 PolarHBondContact OG-N 2.69Å; S38-V85 PolarHBondContact OG-O 2.67Å; L66-V85 HydrophobicContact CD1-CB 4.35Å; L66-V85 HydrophobicContact CD1-CG1 3.66Å; L66-V85 HydrophobicContact CD1-CG2 3.73Å; E83-V85 HydrophobicContact CG-CG1 4.07Å; E83-V85 PolarHBondContact O-N 1.81Å; E83-V85 VanDerWaalsContact O-N 3.17Å; V85-F131 HydrophobicContact CB-CB 3.84Å; V85-F131 HydrophobicContact CG1-CB 4.38Å; V85-F131 HydrophobicContact CG2-CB 3.75Å; V85-F131 HydrophobicContact CG2-CD1 4.37Å; V85-F131 HydrophobicContact CG2-CG 4.18Å; V85-V132 CarbonylContact C-O 3.52Å; V85-V132 WeakPolarHBondContact CA-O 3.44Å; V85-V132 WeakPolarHBondContact CB-O 3.28Å; V85-K139 HydrophobicContact CG1-CG 4.24Å |
| 86 | Q | 93.6 | Very high | 90.8 | Very high | 95 Ų | 95 | 36.2 Ų | 36.2 | 44% | 0.444 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 153.5 | 168.4 | -68.5 | 176.1 | -78.4 | 0 | 0 | 109.7 | L91 F131 V132 | Q86-L91 HydrophobicContact CB-CD1 3.93Å; Q86-F131 CarbonylContact O-C 3.53Å; Q86-F131 WeakPolarHBondContact O-CA 3.24Å; Q86-F131 WeakPolarHBondContact O-CB 3.41Å; Q86-V132 PolarHBondContact N-O 2.91Å; Q86-V132 PolarHBondContact O-N 2.87Å |
| 87 | P | 93.8 | Very high | 91.5 | Very high | 11 Ų | 11 | 34 Ų | 34 | 7% | 0.071 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 147.8 | 170.5 | 29.2 | -35.3 | 0 | 0 | 0 | 111 | L18 P90 F131 | L18-P87 HydrophobicContact CB-CG 3.95Å; L18-P87 HydrophobicContact CD2-CB 3.63Å; L18-P87 HydrophobicContact CD2-CG 3.69Å; L18-P87 HydrophobicContact CG-CG 4.48Å; P87-P90 HydrophobicContact CG-CG 4.02Å; P87-F131 HydrophobicContact CB-CD1 4.41Å; P87-F131 HydrophobicContact CB-CE1 4.48Å |
| 88 | L | 94.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -69.4 | -43 | -178 | 176 | 57.7 | 0 | 0 | 0 | 113.3 | L91 L92 L95 M127 V130 V132 W138 | L88-L91 WeakPolarHBondContact O-CB 3.32Å; L88-L91 PolarHBondContact O-N 3.31Å; L88-L92 HydrophobicContact CD1-CD2 3.85Å; L88-L92 HydrophobicContact CD1-CG 4.5Å; L88-L92 HydrophobicContact CD2-CD2 4.41Å; L88-L92 HydrophobicContact CG-CD2 3.92Å; L88-L92 HydrophobicContact CG-CG 4.4Å; L88-L92 PolarHBondContact O-N 2.88Å; L88-L95 HydrophobicContact CD1-CD1 3.91Å; L88-M127 HydrophobicContact CD2-CE 3.43Å; L88-M127 VanDerWaalsContact CD2-CE 3.43Å; L88-M127 HydrophobicContact CD2-SD 4.46Å; L88-M127 HydrophobicContact CG-CE 3.9Å; L88-V130 HydrophobicContact CB-CB 4.1Å; L88-V130 HydrophobicContact CB-CG1 4.07Å; L88-V130 WeakPolarHBondContact CB-O 3.47Å; L88-V130 HydrophobicContact CD2-CB 3.88Å; L88-V130 HydrophobicContact CD2-CG1 3.59Å; L88-V130 HydrophobicContact CG-CG1 4.42Å; L88-V130 PolarHBondContact N-O 3.27Å; L88-V132 HydrophobicContact CB-CG2 4.37Å; L88-V132 HydrophobicContact CD1-CG2 3.8Å; L88-W138 HydrophobicContact CD1-CD2 4.26Å; L88-W138 HydrophobicContact CD1-CH2 4.05Å; L88-W138 HydrophobicContact CD1-CZ2 3.44Å; L88-W138 VanDerWaalsContact CD1-CZ2 3.44Å; L88-W138 HydrophobicContact CD2-CD2 4Å; L88-W138 HydrophobicContact CD2-CE3 3.76Å; L88-W138 HydrophobicContact CD2-CH2 3.57Å; L88-W138 HydrophobicContact CD2-CZ2 3.8Å; L88-W138 HydrophobicContact CD2-CZ3 3.54Å; L88-W138 HydrophobicContact CG-CH2 4.45Å; L88-W138 HydrophobicContact CG-CZ2 4.28Å |
| 89 | E | 90.9 | Very high | 91.7 | Very high | 81 Ų | 81 | 35.4 Ų | 35.4 | 38% | 0.379 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -53.3 | -46.3 | -170 | -67.2 | 169.1 | -165.4 | 0 | 0 | 114.2 | L91 L92 M127 S128 | E89-L91 VanDerWaalsContact C-N 3.25Å; E89-L91 PolarHBondContact O-N 2.89Å; E89-L92 PolarHBondContact O-N 3.47Å; E89-M127 HydrophobicContact CG-CB 3.73Å; E89-M127 VanDerWaalsContact OE1-CB 3.24Å; E89-M127 WeakPolarHBondContact OE1-CB 3.15Å; E89-S128 PolarHBondContact OE1-N 3.31Å |
| 90 | P | 91.1 | Very high | 91.7 | Very high | 84 Ų | 84 | 35.2 Ų | 35.2 | 55% | 0.545 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -72.3 | -12.3 | 178 | -18.7 | 34.6 | 0 | 0 | 0 | 114.9 | P87 | P87-P90 HydrophobicContact CG-CG 4.02Š|
| 91 | L | 91.9 | Very high | 91.8 | Very high | 31 Ų | 31 | 34.8 Ų | 34.8 | 16% | 0.162 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -91.8 | -19.3 | 179.3 | -63.8 | 178.1 | 0 | 0 | 0 | 112.7 | Q86 L88 E89 D93 S94 L95 V132 | Q86-L91 HydrophobicContact CB-CD1 3.93Å; L88-L91 WeakPolarHBondContact O-CB 3.32Å; L88-L91 PolarHBondContact O-N 3.31Å; E89-L91 VanDerWaalsContact C-N 3.25Å; E89-L91 PolarHBondContact O-N 2.89Å; L91-D93 VanDerWaalsContact C-N 3.27Å; L91-D93 PolarHBondContact O-N 2.88Å; L91-D93 VanDerWaalsContact O-N 3.14Å; L91-S94 WeakPolarHBondContact O-CA 3.42Å; L91-S94 WeakPolarHBondContact O-CB 3.17Å; L91-S94 PolarHBondContact O-N 3.06Å; L91-S94 PolarHBondContact O-OG 2.73Å; L91-L95 PolarHBondContact O-N 3.39Å; L91-V132 HydrophobicContact CD1-CB 3.74Å; L91-V132 HydrophobicContact CD1-CG1 4.33Å; L91-V132 HydrophobicContact CD1-CG2 3.74Å |
| 92 | L | 92.1 | Very high | 91.7 | Very high | 26 Ų | 26 | 34.8 Ų | 34.8 | 14% | 0.136 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -42.5 | -173.3 | -72.5 | 176.4 | 0 | 0 | 0 | 113.9 | L88 E89 S94 L95 L100 M127 L201 L204 K208 | L88-L92 HydrophobicContact CD1-CD2 3.85Å; L88-L92 HydrophobicContact CD1-CG 4.5Å; L88-L92 HydrophobicContact CD2-CD2 4.41Å; L88-L92 HydrophobicContact CG-CD2 3.92Å; L88-L92 HydrophobicContact CG-CG 4.4Å; L88-L92 PolarHBondContact O-N 2.88Å; E89-L92 PolarHBondContact O-N 3.47Å; L92-S94 PolarHBondContact O-N 3.33Å; L92-L95 PolarHBondContact O-N 3.25Å; L92-L100 HydrophobicContact CD2-CD2 4.09Å; L92-M127 HydrophobicContact CD1-CE 3.83Å; L92-M127 HydrophobicContact CD2-CE 3.85Å; L92-M127 HydrophobicContact CG-CE 4.34Å; L92-L201 HydrophobicContact CD2-CD2 3.73Å; L92-L204 HydrophobicContact CB-CD2 3.78Å; L92-L204 HydrophobicContact CD1-CD2 4.47Å; L92-L204 HydrophobicContact CD2-CD2 4.15Å; L92-L204 HydrophobicContact CG-CD2 4.35Å; L92-K208 WeakPolarHBondContact O-CE 3.39Å; L92-K208 PolarHBondContact O-NZ 3.15Å |
| 93 | D | 88.8 | Confident | 91.7 | Very high | 136 Ų | 136 | 34.8 Ų | 34.8 | 73% | 0.727 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -24.9 | 179.3 | -69.3 | -26.8 | 0 | 0 | 0 | 112.9 | L91 K208 | L91-D93 VanDerWaalsContact C-N 3.27Å; L91-D93 PolarHBondContact O-N 2.88Å; L91-D93 VanDerWaalsContact O-N 3.14Å; D93-K208 VanDerWaalsContact C-NZ 3.34Å; D93-K208 PolarHBondContact O-NZ 3.12Å |
| 94 | S | 87.8 | Confident | 91.8 | Very high | 86 Ų | 86 | 33.9 Ų | 33.9 | 60% | 0.601 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -25.5 | 179.6 | 69.1 | 0 | 0 | 0 | 0 | 115.2 | L91 L92 | L91-S94 WeakPolarHBondContact O-CA 3.42Å; L91-S94 WeakPolarHBondContact O-CB 3.17Å; L91-S94 PolarHBondContact O-N 3.06Å; L91-S94 PolarHBondContact O-OG 2.73Å; L92-S94 PolarHBondContact O-N 3.33Å |
| 95 | L | 89.1 | Confident | 91.9 | Very high | 15 Ų | 15 | 32.5 Ų | 32.5 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | trans | -71.7 | 146.2 | -173.7 | -62.8 | 177.2 | 0 | 0 | 0 | 113.3 | L88 L91 L92 E99 L100 W138 K208 | L88-L95 HydrophobicContact CD1-CD1 3.91Å; L91-L95 PolarHBondContact O-N 3.39Å; L92-L95 PolarHBondContact O-N 3.25Å; L95-E99 VanDerWaalsContact CA-OE2 3.3Å; L95-E99 WeakPolarHBondContact CA-OE2 3.07Å; L95-E99 HydrophobicContact CB-CB 4.19Å; L95-E99 HydrophobicContact CD2-CB 4.18Å; L95-L100 HydrophobicContact CB-CD2 4.29Å; L95-L100 HydrophobicContact CB-CG 4.15Å; L95-L100 HydrophobicContact CD1-CD2 3.97Å; L95-W138 HydrophobicContact CD1-CZ2 3.79Å; L95-K208 WeakPolarHBondContact O-CD 3.43Å; L95-K208 WeakPolarHBondContact O-CE 3.21Å; L95-K208 PolarHBondContact O-NZ 3.1Å | ||
| 96 | T | 87.4 | Confident | 92 | Very high | 35 Ų | 35 | 32.5 Ų | 32.5 | 22% | 0.215 | 18% | 0.179 | C | C | . | . | trans | -77.7 | 165 | 170.7 | 91.5 | 0 | 0 | 0 | 0 | 112.4 | E98 E99 L100 | T96-E98 WeakPolarHBondContact CB-OE2 3.27Å; T96-E98 PolarHBondContact O-N 3.36Å; T96-E98 PolarHBondContact OG1-N 2.8Å; T96-E98 PolarHBondContact OG1-OE2 3.11Å; T96-E99 HydrophobicContact CG2-CG 4.35Å; T96-E99 PolarHBondContact N-OE2 3.08Å; T96-E99 PolarHBondContact O-N 2.59Å; T96-E99 PolarHBondContact OG1-N 3.38Å; T96-L100 WeakPolarHBondContact O-CG 3.24Å; T96-L100 PolarHBondContact O-N 2.77Å | ||
| 97 | P | 89.3 | Confident | 92.2 | Very high | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.032 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -54 | -37.9 | 170.8 | -27.1 | 36.5 | 0 | 0 | 0 | 113.9 | C101 L205 K208 I209 V217 | P97-C101 WeakPolarHBondContact O-CB 3.4Å; P97-C101 PolarHBondContact O-N 2.7Å; P97-L205 HydrophobicContact CB-CD1 3.71Å; P97-K208 HydrophobicContact CG-CB 3.91Å; P97-I209 HydrophobicContact CB-CG1 4.04Å; P97-I209 HydrophobicContact CG-CG1 4.04Å; P97-V217 HydrophobicContact CB-CB 3.96Å; P97-V217 HydrophobicContact CB-CG2 3.97Å |
| 98 | E | 86.8 | Confident | 92.4 | Very high | 9 Ų | 9 | 27.5 Ų | 27.5 | 4% | 0.042 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.6 | -38.8 | 178.7 | -59.5 | 68.4 | -149.5 | 0 | 0 | 111.6 | T96 C101 A102 G215 Y216 V217 P290 L293 | T96-E98 WeakPolarHBondContact CB-OE2 3.27Å; T96-E98 PolarHBondContact O-N 3.36Å; T96-E98 PolarHBondContact OG1-N 2.8Å; T96-E98 PolarHBondContact OG1-OE2 3.11Å; E98-C101 WeakPolarHBondContact O-CB 3.23Å; E98-C101 PolarHBondContact O-N 2.69Å; E98-A102 WeakPolarHBondContact O-CB 3.23Å; E98-A102 PolarHBondContact O-N 2.83Å; E98-G215 WeakPolarHBondContact OE1-CA 3.14Å; E98-Y216 PolarHBondContact OE1-N 3.47Å; E98-V217 HydrophobicContact CG-CG2 4.38Å; E98-P290 HydrophobicContact CG-CG 4.28Å; E98-L293 HydrophobicContact CB-CD2 3.69Å; E98-L293 HydrophobicContact CG-CD2 4.21Å |
| 99 | E | 89.5 | Confident | 92.6 | Very high | 34 Ų | 34 | 29.8 Ų | 29.8 | 16% | 0.159 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.1 | -39 | 174.2 | -66.2 | -176.5 | 125.1 | 0 | 0 | 112.1 | L95 T96 A102 G103 L293 | L95-E99 VanDerWaalsContact CA-OE2 3.3Å; L95-E99 WeakPolarHBondContact CA-OE2 3.07Å; L95-E99 HydrophobicContact CB-CB 4.19Å; L95-E99 HydrophobicContact CD2-CB 4.18Å; T96-E99 HydrophobicContact CG2-CG 4.35Å; T96-E99 PolarHBondContact N-OE2 3.08Å; T96-E99 PolarHBondContact O-N 2.59Å; T96-E99 PolarHBondContact OG1-N 3.38Å; E99-A102 PolarHBondContact O-N 3.32Å; E99-G103 PolarHBondContact O-N 3.21Å; E99-L293 HydrophobicContact CG-CD1 3.65Å |
| 100 | L | 92.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.5 | -45.9 | 171.3 | -72 | 169.9 | 0 | 0 | 0 | 111 | L92 L95 T96 G103 I104 W138 L201 L205 K208 | L92-L100 HydrophobicContact CD2-CD2 4.09Å; L95-L100 HydrophobicContact CB-CD2 4.29Å; L95-L100 HydrophobicContact CB-CG 4.15Å; L95-L100 HydrophobicContact CD1-CD2 3.97Å; T96-L100 WeakPolarHBondContact O-CG 3.24Å; T96-L100 PolarHBondContact O-N 2.77Å; L100-G103 PolarHBondContact O-N 3.25Å; L100-I104 WeakPolarHBondContact O-CD1 3.3Å; L100-I104 WeakPolarHBondContact O-CG1 3.45Å; L100-I104 PolarHBondContact O-N 2.94Å; L100-W138 HydrophobicContact CD2-CH2 4.09Å; L100-W138 HydrophobicContact CD2-CZ2 4.01Å; L100-L201 HydrophobicContact CD2-CD2 4.43Å; L100-L205 HydrophobicContact CB-CD1 4.14Å; L100-L205 HydrophobicContact CD1-CB 4.48Å; L100-L205 HydrophobicContact CD1-CD1 3.91Å; L100-K208 HydrophobicContact CD1-CD 3.73Å |
| 101 | C | 93.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.007 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.8 | -50.2 | 174.6 | 172.1 | 0 | 0 | 0 | 0 | 111.8 | P97 E98 G103 I104 Y105 V217 F252 N255 | P97-C101 WeakPolarHBondContact O-CB 3.4Å; P97-C101 PolarHBondContact O-N 2.7Å; E98-C101 WeakPolarHBondContact O-CB 3.23Å; E98-C101 PolarHBondContact O-N 2.69Å; C101-G103 VanDerWaalsContact C-N 3.34Å; C101-G103 PolarHBondContact O-N 3.47Å; C101-I104 PolarHBondContact O-N 3.08Å; C101-Y105 PolarHBondContact O-N 3.19Å; C101-V217 HydrophobicContact CB-CG2 4.34Å; C101-F252 HydrophobicContact CB-CE1 3.91Å; C101-F252 HydrophobicContact CB-CZ 4.03Å; C101-F252 PolarHBondContact SG-O 3.11Å; C101-N255 PolarHBondContact SG-ND2 3.47Å |
| 102 | A | 92.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.2 | -37.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | E98 E99 Y105 D106 F257 L258 | E98-A102 WeakPolarHBondContact O-CB 3.23Å; E98-A102 PolarHBondContact O-N 2.83Å; E99-A102 PolarHBondContact O-N 3.32Å; A102-Y105 WeakPolarHBondContact O-CB 3.37Å; A102-Y105 PolarHBondContact O-N 3.29Å; A102-D106 PolarHBondContact O-N 2.84Å; A102-F257 HydrophobicContact CB-CD1 4.06Å; A102-F257 HydrophobicContact CB-CE1 3.59Å; A102-L258 HydrophobicContact CB-CD2 4.21Å |
| 103 | G | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.2 | -43.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | E99 L100 C101 Y105 D106 L107 W138 | E99-G103 PolarHBondContact O-N 3.21Å; L100-G103 PolarHBondContact O-N 3.25Å; C101-G103 VanDerWaalsContact C-N 3.34Å; C101-G103 PolarHBondContact O-N 3.47Å; G103-Y105 PolarHBondContact O-N 2.95Å; G103-D106 PolarHBondContact O-N 3.45Å; G103-L107 PolarHBondContact O-N 3.49Å; G103-L107 VanDerWaalsContact O-N 3.09Å; G103-W138 VanDerWaalsContact C-CD2 3.46Å; G103-W138 VanDerWaalsContact O-CE3 3.25Å |
| 104 | I | 97.2 | Very high | 94.3 | Very high | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.015 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.5 | -38.2 | 172.5 | -65.9 | 162.2 | 0 | 0 | 0 | 110.1 | L100 C101 L107 L108 W138 F194 V198 L201 F252 F253 | L100-I104 WeakPolarHBondContact O-CD1 3.3Å; L100-I104 WeakPolarHBondContact O-CG1 3.45Å; L100-I104 PolarHBondContact O-N 2.94Å; C101-I104 PolarHBondContact O-N 3.08Å; I104-L107 PolarHBondContact O-N 3.14Å; I104-L108 WeakPolarHBondContact O-CB 3.24Å; I104-L108 PolarHBondContact O-N 3.34Å; I104-W138 HydrophobicContact CG1-CH2 4.32Å; I104-W138 HydrophobicContact CG1-CZ3 4.02Å; I104-F194 HydrophobicContact CG2-CE2 4.29Å; I104-F194 HydrophobicContact CG2-CZ 3.77Å; I104-V198 HydrophobicContact CD1-CG1 4.25Å; I104-V198 HydrophobicContact CG1-CG2 4.4Å; I104-V198 HydrophobicContact CG2-CG1 4.48Å; I104-V198 HydrophobicContact CG2-CG2 3.77Å; I104-L201 HydrophobicContact CD1-CD1 4.16Å; I104-L201 HydrophobicContact CG1-CD1 4.11Å; I104-F252 HydrophobicContact CD1-CE1 4.49Å; I104-F253 HydrophobicContact CB-CE1 4.33Å; I104-F253 HydrophobicContact CG2-CE1 3.88Å; I104-F253 HydrophobicContact CG2-CZ 3.77Å |
| 105 | Y | 96.9 | Very high | 94.7 | Very high | 24 Ų | 24 | 11.3 Ų | 11.3 | 9% | 0.094 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -66.5 | -43.3 | 175.1 | -173.1 | -96.6 | 0 | 0 | 0 | 113.3 | C101 A102 G103 L107 L108 Q109 L248 F253 L258 N262 | C101-Y105 PolarHBondContact O-N 3.19Å; A102-Y105 WeakPolarHBondContact O-CB 3.37Å; A102-Y105 PolarHBondContact O-N 3.29Å; G103-Y105 PolarHBondContact O-N 2.95Å; Y105-L107 VanDerWaalsContact C-N 3.3Å; Y105-L107 PolarHBondContact O-N 2.81Å; Y105-L108 WeakPolarHBondContact O-CB 3.43Å; Y105-L108 PolarHBondContact O-N 3.38Å; Y105-L108 VanDerWaalsContact O-N 3.17Å; Y105-Q109 HydrophobicContact CD1-CG 4.12Å; Y105-Q109 HydrophobicContact CE1-CG 3.86Å; Y105-Q109 WeakPolarHBondContact O-CG 3.37Å; Y105-Q109 PolarHBondContact O-N 2.86Å; Y105-Q109 PolarHBondContact OH-NE2 3.06Å; Y105-L248 HydrophobicContact CD2-CD2 4.32Å; Y105-L248 HydrophobicContact CE2-CD2 3.69Å; Y105-F253 HydrophobicContact CD2-CB 3.89Å; Y105-F253 AromaticContact CD2-CD1 3.59Å; Y105-F253 HydrophobicContact CD2-CD1 3.59Å; Y105-F253 HydrophobicContact CD2-CE1 4.37Å; Y105-F253 AromaticContact CD2-CG 3.91Å; Y105-F253 HydrophobicContact CD2-CG 3.91Å; Y105-F253 HydrophobicContact CE2-CB 4.17Å; Y105-F253 HydrophobicContact CG-CD1 4.2Å; Y105-L258 HydrophobicContact CD1-CD1 4.35Å; Y105-L258 HydrophobicContact CD1-CD2 3.73Å; Y105-L258 HydrophobicContact CD2-CD1 3.94Å; Y105-L258 HydrophobicContact CE1-CD2 4.26Å; Y105-L258 HydrophobicContact CE2-CD1 4.44Å; Y105-L258 HydrophobicContact CG-CD1 3.86Å; Y105-L258 HydrophobicContact CG-CD2 3.99Å; Y105-N262 PolarHBondContact OH-ND2 3.37Å |
| 106 | D | 97.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 14.7 Ų | 14.7 | 2% | 0.016 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59 | -40.8 | 175.3 | -77.5 | -30.1 | 0 | 0 | 0 | 111.1 | C64 A102 G103 Q109 A110 H137 W138 R297 | C64-D106 HydrophobicContact CB-CB 4.21Å; C64-D106 WeakPolarHBondContact CB-O 3.32Å; A102-D106 PolarHBondContact O-N 2.84Å; G103-D106 PolarHBondContact O-N 3.45Å; D106-Q109 PolarHBondContact O-N 2.85Å; D106-A110 PolarHBondContact O-N 3.1Å; D106-H137 VanDerWaalsContact CG-ND1 3.29Å; D106-H137 IonicContact OD1-CE1 2.7Å; D106-H137 IonicContact OD1-ND1 3.76Å; D106-H137 PolarHBondContact OD1-ND1 3.29Å; D106-H137 VanDerWaalsContact OD1-ND1 3.14Å; D106-H137 WeakPolarHBondContact OD2-CA 3.07Å; D106-H137 IonicContact OD2-CE1 3.72Å; D106-H137 IonicContact OD2-CG 1.81Å; D106-H137 IonicContact OD2-ND1 2.69Å; D106-H137 PolarHBondContact OD2-ND1 3.46Å; D106-W138 HydrophobicContact CB-CB 4.13Å; D106-W138 PolarHBondContact OD2-N 3.26Å; D106-R297 IonicContact OD2-NH2 2.6Å |
| 107 | L | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -69.1 | -37.4 | 173.6 | -68.5 | -176.9 | 0 | 0 | 0 | 113.6 | G103 I104 Y105 Q109 A110 L111 V130 W138 L140 F194 M197 | G103-L107 PolarHBondContact O-N 3.49Å; G103-L107 VanDerWaalsContact O-N 3.09Å; I104-L107 PolarHBondContact O-N 3.14Å; Y105-L107 VanDerWaalsContact C-N 3.3Å; Y105-L107 PolarHBondContact O-N 2.81Å; L107-Q109 VanDerWaalsContact C-N 3.3Å; L107-Q109 PolarHBondContact O-N 2.75Å; L107-A110 WeakPolarHBondContact O-CB 3.34Å; L107-A110 PolarHBondContact O-N 3Å; L107-L111 WeakPolarHBondContact O-CG 3.46Å; L107-L111 PolarHBondContact O-N 3.21Å; L107-V130 HydrophobicContact CD1-CB 4.4Å; L107-V130 HydrophobicContact CD1-CG1 3.95Å; L107-V130 HydrophobicContact CD1-CG2 3.5Å; L107-V130 HydrophobicContact CD2-CG1 4.05Å; L107-V130 HydrophobicContact CD2-CG2 4.04Å; L107-V130 HydrophobicContact CG-CG1 4.36Å; L107-V130 HydrophobicContact CG-CG2 4.41Å; L107-W138 HydrophobicContact CD1-CE3 3.63Å; L107-W138 HydrophobicContact CD1-CZ3 4.14Å; L107-W138 HydrophobicContact CD2-CB 4.38Å; L107-W138 HydrophobicContact CG-CB 4.22Å; L107-W138 HydrophobicContact CG-CE3 3.98Å; L107-L140 HydrophobicContact CD2-CB 4.08Å; L107-L140 HydrophobicContact CD2-CD1 4.42Å; L107-F194 HydrophobicContact CB-CE2 4.23Å; L107-M197 HydrophobicContact CD1-CE 3.55Å; L107-M197 HydrophobicContact CD1-SD 4.28Å |
| 108 | L | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 175.3 | -173.3 | 62.6 | 0 | 0 | 0 | 110.1 | I104 Y105 L111 I112 F194 L244 L247 L248 F253 | I104-L108 WeakPolarHBondContact O-CB 3.24Å; I104-L108 PolarHBondContact O-N 3.34Å; Y105-L108 WeakPolarHBondContact O-CB 3.43Å; Y105-L108 PolarHBondContact O-N 3.38Å; Y105-L108 VanDerWaalsContact O-N 3.17Å; L108-L111 PolarHBondContact O-N 2.87Å; L108-I112 HydrophobicContact CD1-CD1 4.24Å; L108-I112 HydrophobicContact CG-CD1 3.93Å; L108-I112 WeakPolarHBondContact O-CB 3.29Å; L108-I112 WeakPolarHBondContact O-CD1 3.29Å; L108-I112 WeakPolarHBondContact O-CG1 3.14Å; L108-I112 PolarHBondContact O-N 3.33Å; L108-F194 HydrophobicContact CB-CE2 4.38Å; L108-F194 HydrophobicContact CB-CZ 4.1Å; L108-F194 HydrophobicContact CD1-CE1 4.01Å; L108-F194 HydrophobicContact CD1-CZ 3.85Å; L108-F194 HydrophobicContact CG-CZ 4.5Å; L108-L244 HydrophobicContact CD1-CB 3.8Å; L108-L244 HydrophobicContact CD1-CD2 3.98Å; L108-L244 HydrophobicContact CD1-CG 4.31Å; L108-L247 HydrophobicContact CD1-CB 4.29Å; L108-L247 HydrophobicContact CD1-CD2 4.18Å; L108-L247 HydrophobicContact CD2-CB 4.18Å; L108-L247 HydrophobicContact CD2-CD2 4.27Å; L108-L248 HydrophobicContact CD2-CD2 3.72Å; L108-L248 HydrophobicContact CD2-CG 4.37Å; L108-L248 HydrophobicContact CG-CD2 4.11Å; L108-F253 HydrophobicContact CD2-CD2 4.3Å; L108-F253 HydrophobicContact CD2-CE2 4.01Å; L108-F253 HydrophobicContact CD2-CZ 4.11Å |
| 109 | Q | 97.6 | Very high | 96.1 | Very high | 50 Ų | 50 | 28 Ų | 28 | 23% | 0.234 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 172.3 | -67.1 | -68.3 | -25.9 | 0 | 0 | 112.4 | Y105 D106 L107 L111 F113 | Y105-Q109 HydrophobicContact CD1-CG 4.12Å; Y105-Q109 HydrophobicContact CE1-CG 3.86Å; Y105-Q109 WeakPolarHBondContact O-CG 3.37Å; Y105-Q109 PolarHBondContact O-N 2.86Å; Y105-Q109 PolarHBondContact OH-NE2 3.06Å; D106-Q109 PolarHBondContact O-N 2.85Å; L107-Q109 VanDerWaalsContact C-N 3.3Å; L107-Q109 PolarHBondContact O-N 2.75Å; Q109-L111 PolarHBondContact O-N 2.92Å; Q109-F113 WeakPolarHBondContact O-CB 3.37Å; Q109-F113 PolarHBondContact O-N 3.34Å |
| 110 | A | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.8 | -44 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | C64 L65 D106 L107 L114 L140 | C64-A110 HydrophobicContact CB-CB 3.95Å; C64-A110 WeakPolarHBondContact O-CB 3.41Å; L65-A110 HydrophobicContact CD2-CB 3.85Å; D106-A110 PolarHBondContact O-N 3.1Å; L107-A110 WeakPolarHBondContact O-CB 3.34Å; L107-A110 PolarHBondContact O-N 3Å; A110-L114 PolarHBondContact O-N 3.47Å; A110-L114 VanDerWaalsContact O-N 3.15Å; A110-L140 HydrophobicContact CB-CB 4.23Å; A110-L140 HydrophobicContact CB-CD2 4.49Å |
| 111 | L | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -75.6 | -40.7 | -179.1 | -66.3 | 170.9 | 0 | 0 | 0 | 112 | L107 L108 Q109 F113 L114 H115 H122 V125 L140 F194 L244 | L107-L111 WeakPolarHBondContact O-CG 3.46Å; L107-L111 PolarHBondContact O-N 3.21Å; L108-L111 PolarHBondContact O-N 2.87Å; Q109-L111 PolarHBondContact O-N 2.92Å; L111-F113 VanDerWaalsContact C-N 3.3Å; L111-F113 PolarHBondContact O-N 2.93Å; L111-L114 WeakPolarHBondContact O-CB 3.39Å; L111-L114 PolarHBondContact O-N 3Å; L111-L114 VanDerWaalsContact O-N 3.09Å; L111-H115 WeakPolarHBondContact O-CB 3.46Å; L111-H115 PolarHBondContact O-N 3.17Å; L111-H122 HydrophobicContact CD2-CB 4.18Å; L111-V125 HydrophobicContact CD1-CG1 4.07Å; L111-V125 HydrophobicContact CD1-CG2 4.06Å; L111-V125 HydrophobicContact CD2-CG2 3.71Å; L111-L140 HydrophobicContact CD2-CD2 3.67Å; L111-L140 HydrophobicContact CG-CD2 4.37Å; L111-F194 HydrophobicContact CD1-CB 4.01Å; L111-F194 HydrophobicContact CD1-CD2 3.64Å; L111-F194 HydrophobicContact CD1-CE2 4.46Å; L111-F194 HydrophobicContact CD1-CG 4.1Å; L111-L244 HydrophobicContact CB-CD1 3.4Å; L111-L244 VanDerWaalsContact CB-CD1 3.4Å; L111-L244 HydrophobicContact CD1-CD1 3.77Å; L111-L244 HydrophobicContact CG-CD1 4.22Å |
| 112 | I | 98.1 | Very high | 96.7 | Very high | 14 Ų | 14 | 26.3 Ų | 26.3 | 7% | 0.072 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.5 | -44.7 | 173.2 | -69.8 | 165.5 | 0 | 0 | 0 | 110.6 | L108 L114 H115 E116 L244 L248 | L108-I112 HydrophobicContact CD1-CD1 4.24Å; L108-I112 HydrophobicContact CG-CD1 3.93Å; L108-I112 WeakPolarHBondContact O-CB 3.29Å; L108-I112 WeakPolarHBondContact O-CD1 3.29Å; L108-I112 WeakPolarHBondContact O-CG1 3.14Å; L108-I112 PolarHBondContact O-N 3.33Å; I112-L114 PolarHBondContact O-N 2.9Å; I112-H115 PolarHBondContact O-N 3.37Å; I112-E116 HydrophobicContact CG2-CG 4.24Å; I112-E116 WeakPolarHBondContact O-CB 3.35Å; I112-E116 PolarHBondContact O-N 3.17Å; I112-L244 HydrophobicContact CD1-CB 4.31Å; I112-L244 HydrophobicContact CG1-CB 3.72Å; I112-L248 HydrophobicContact CD1-CD1 3.71Å; I112-L248 HydrophobicContact CD1-CD2 4.02Å; I112-L248 HydrophobicContact CD1-CG 3.76Å |
| 113 | F | 98 | Very high | 96.8 | Very high | 33 Ų | 33 | 26.3 Ų | 26.3 | 15% | 0.145 | 11% | 0.113 | C | C | . | . | I | π-helix | trans | -57.5 | -47.1 | 173.1 | 170.4 | -92 | 0 | 0 | 0 | 112.3 | L60 H62 L65 Q109 L111 R117 G118 | L60-F113 HydrophobicContact CB-CE1 4.28Å; L60-F113 HydrophobicContact CD2-CE1 4.37Å; H62-F113 HydrophobicContact CB-CD1 3.68Å; H62-F113 HydrophobicContact CB-CD2 4.01Å; H62-F113 HydrophobicContact CB-CE1 3.72Å; H62-F113 HydrophobicContact CB-CE2 4.05Å; H62-F113 HydrophobicContact CB-CG 3.84Å; H62-F113 HydrophobicContact CB-CZ 3.91Å; H62-F113 AromaticContact CD2-CD2 3.74Å; H62-F113 AromaticContact CD2-CG 3.78Å; H62-F113 AromaticContact CG-CG 3.75Å; L65-F113 HydrophobicContact CD1-CD1 3.9Å; L65-F113 HydrophobicContact CD1-CE1 3.78Å; Q109-F113 WeakPolarHBondContact O-CB 3.37Å; Q109-F113 PolarHBondContact O-N 3.34Å; L111-F113 VanDerWaalsContact C-N 3.3Å; L111-F113 PolarHBondContact O-N 2.93Å; F113-R117 HydrophobicContact CD2-CB 4.38Å; F113-R117 HydrophobicContact CD2-CG 4.49Å; F113-R117 HydrophobicContact CE2-CB 4.44Å; F113-R117 WeakPolarHBondContact O-CB 3.39Å; F113-R117 PolarHBondContact O-N 3.34Å; F113-R117 VanDerWaalsContact O-N 3.07Å; F113-G118 PolarHBondContact O-N 2.78Å |
| 114 | L | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | I | π-helix | trans | -64.9 | -39.3 | -179 | -171 | 69.2 | 0 | 0 | 0 | 112.4 | L60 A110 L111 I112 G118 K119 S120 H122 V146 | L60-L114 HydrophobicContact CD1-CD1 3.64Å; A110-L114 PolarHBondContact O-N 3.47Å; A110-L114 VanDerWaalsContact O-N 3.15Å; L111-L114 WeakPolarHBondContact O-CB 3.39Å; L111-L114 PolarHBondContact O-N 3Å; L111-L114 VanDerWaalsContact O-N 3.09Å; I112-L114 PolarHBondContact O-N 2.9Å; L114-G118 CarbonylContact O-C 3.45Å; L114-G118 VanDerWaalsContact O-C 3.27Å; L114-G118 WeakPolarHBondContact O-CA 3.45Å; L114-G118 PolarHBondContact O-N 2.73Å; L114-K119 PolarHBondContact O-N 2.98Å; L114-S120 PolarHBondContact O-N 2.93Å; L114-S120 VanDerWaalsContact O-N 3.15Å; L114-H122 HydrophobicContact CD2-CB 3.72Å; L114-V146 HydrophobicContact CD1-CG1 4.31Å; L114-V146 HydrophobicContact CD2-CG2 4.48Å |
| 115 | H | 97.4 | Very high | 96.7 | Very high | 7 Ų | 7 | 26.7 Ų | 26.7 | 3% | 0.032 | 12% | 0.115 | C | C | . | . | I | π-helix | trans | -75.8 | -54.7 | -179.8 | -63 | 168 | 0 | 0 | 0 | 112 | L111 I112 K119 S120 F149 H187 D190 | L111-H115 WeakPolarHBondContact O-CB 3.46Å; L111-H115 PolarHBondContact O-N 3.17Å; I112-H115 PolarHBondContact O-N 3.37Å; H115-K119 WeakPolarHBondContact O-CA 3.49Å; H115-K119 WeakPolarHBondContact O-CD 3.26Å; H115-K119 PolarHBondContact O-N 3.47Å; H115-S120 PolarHBondContact CD2-O 2.93Å; H115-F149 HydrophobicContact CB-CZ 4.2Å; H115-H187 HydrophobicContact CB-CB 4.31Å; H115-D190 IonicContact CD2-OD2 3.48Å; H115-D190 IonicContact CE1-OD2 2.72Å; H115-D190 WeakPolarHBondContact NE2-CB 3.32Å; H115-D190 IonicContact NE2-OD2 3.33Å; H115-D190 PolarHBondContact NE2-OD2 3.29Å |
| 116 | E | 96 | Very high | 96.6 | Very high | 87 Ų | 87 | 25.7 Ų | 25.7 | 41% | 0.407 | 11% | 0.112 | S | C | . | . | I | π-helix | trans | -80.1 | -42.4 | -169.2 | -63.9 | -174.3 | 173.3 | 0 | 0 | 112.4 | I112 K119 S245 | I112-E116 HydrophobicContact CG2-CG 4.24Å; I112-E116 WeakPolarHBondContact O-CB 3.35Å; I112-E116 PolarHBondContact O-N 3.17Å; E116-K119 VanDerWaalsContact O-CE 3.3Å; E116-K119 WeakPolarHBondContact O-CE 3.38Å; E116-K119 PolarHBondContact O-NZ 3Å; E116-S245 WeakPolarHBondContact OE1-CB 3.44Å; E116-S245 PolarHBondContact OE1-OG 2.95Å |
| 117 | R | 95.3 | Very high | 96.3 | Very high | 205 Ų | 205 | 26.9 Ų | 26.9 | 77% | 0.774 | 12% | 0.117 | S | C | * | . | I | π-helix | trans | -95.8 | -40.9 | 178.1 | -55.7 | -170.5 | -174.9 | -168.2 | 0.3 | 112.2 | F113 | F113-R117 HydrophobicContact CD2-CB 4.38Å; F113-R117 HydrophobicContact CD2-CG 4.49Å; F113-R117 HydrophobicContact CE2-CB 4.44Å; F113-R117 WeakPolarHBondContact O-CB 3.39Å; F113-R117 PolarHBondContact O-N 3.34Å; F113-R117 VanDerWaalsContact O-N 3.07Å |
| 118 | G | 93.9 | Very high | 96 | Very high | 5 Ų | 5 | 28.2 Ų | 28.2 | 5% | 0.052 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -28.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | F113 L114 S120 K148 | F113-G118 PolarHBondContact O-N 2.78Å; L114-G118 CarbonylContact O-C 3.45Å; L114-G118 VanDerWaalsContact O-C 3.27Å; L114-G118 WeakPolarHBondContact O-CA 3.45Å; L114-G118 PolarHBondContact O-N 2.73Å; G118-S120 PolarHBondContact O-N 3.29Å; G118-S120 PolarHBondContact O-OG 3.03Å; G118-K148 PolarHBondContact O-NZ 2.91Å |
| 119 | K | 95.6 | Very high | 95.8 | Very high | 117 Ų | 117 | 28.4 Ų | 28.4 | 51% | 0.509 | 13% | 0.128 | S | C | . | . | trans | 51.2 | 39.2 | -168.7 | -52.1 | -51.2 | -168 | -162.4 | 0 | 112.5 | L114 H115 E116 F149 | L114-K119 PolarHBondContact O-N 2.98Å; H115-K119 WeakPolarHBondContact O-CA 3.49Å; H115-K119 WeakPolarHBondContact O-CD 3.26Å; H115-K119 PolarHBondContact O-N 3.47Å; E116-K119 VanDerWaalsContact O-CE 3.3Å; E116-K119 WeakPolarHBondContact O-CE 3.38Å; E116-K119 PolarHBondContact O-NZ 3Å; K119-F149 HydrophobicContact CB-CD2 4.25Å; K119-F149 HydrophobicContact CB-CE2 4.35Å; K119-F149 HydrophobicContact CD-CE2 4.38Å; K119-F149 WeakPolarHBondContact O-CG 3.31Å; K119-F149 PolarHBondContact O-N 2.86Å; K119-F149 VanDerWaalsContact O-N 3.08Å | ||
| 120 | S | 96.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 148.4 | -174 | -69.8 | 0 | 0 | 0 | 0 | 111 | L114 H115 G118 C147 F149 | L114-S120 PolarHBondContact O-N 2.93Å; L114-S120 VanDerWaalsContact O-N 3.15Å; H115-S120 PolarHBondContact CD2-O 2.93Å; G118-S120 PolarHBondContact O-N 3.29Å; G118-S120 PolarHBondContact O-OG 3.03Å; S120-C147 CarbonylContact C-O 3.58Å; S120-C147 WeakPolarHBondContact CA-O 3.43Å; S120-C147 WeakPolarHBondContact CB-O 3.3Å; S120-C147 PolarHBondContact OG-O 2.73Å; S120-F149 VanDerWaalsContact O-CE1 3.23Å; S120-F149 WeakPolarHBondContact O-CE1 3.42Å |
| 121 | S | 96 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 149.6 | 166.2 | -62.3 | 0 | 0 | 0 | 0 | 110 | N123 V146 C147 F149 A186 R189 D190 | S121-N123 WeakPolarHBondContact CB-OD1 3.47Å; S121-N123 PolarHBondContact O-ND2 3.24Å; S121-V146 VanDerWaalsContact O-CA 3.26Å; S121-V146 WeakPolarHBondContact O-CA 3.34Å; S121-C147 PolarHBondContact N-O 2.6Å; S121-C147 PolarHBondContact O-N 2.88Å; S121-C147 VanDerWaalsContact O-N 3.15Å; S121-F149 WeakPolarHBondContact OG-CD1 3.48Å; S121-A186 PolarHBondContact OG-O 3.31Å; S121-R189 PolarHBondContact OG-NH2 2.88Å; S121-D190 WeakPolarHBondContact CA-OD2 3.4Å |
| 122 | H | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -82.2 | -36.1 | 170.4 | -177.5 | -110.4 | 0 | 0 | 0 | 111.8 | L111 L114 N124 V125 G141 T145 D190 | L111-H122 HydrophobicContact CD2-CB 4.18Å; L114-H122 HydrophobicContact CD2-CB 3.72Å; H122-N124 VanDerWaalsContact CE1-C 3.45Å; H122-N124 PolarHBondContact CE1-O 3.41Å; H122-N124 PolarHBondContact ND1-N 3.45Å; H122-N124 PolarHBondContact ND1-O 3.34Å; H122-N124 PolarHBondContact O-N 2.94Å; H122-V125 HydrophobicContact CB-CG2 4.01Å; H122-V125 WeakPolarHBondContact ND1-CG2 3.44Å; H122-V125 PolarHBondContact ND1-N 2.9Å; H122-G141 PolarHBondContact NE2-O 3.48Å; H122-G141 VanDerWaalsContact NE2-O 3.1Å; H122-T145 CarbonylContact O-C 3.44Å; H122-T145 VanDerWaalsContact O-C 3.3Å; H122-T145 WeakPolarHBondContact O-CB 3.33Å; H122-T145 PolarHBondContact O-OG1 3.37Å; H122-D190 PolarHBondContact N-OD1 2.66Å; H122-D190 PolarHBondContact N-OD2 3.05Å | ||
| 123 | N | 95.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 65.2 | -8.9 | 178.4 | -49.9 | -65.3 | 0 | 0 | 0 | 116.1 | S121 T145 C147 L157 I160 R164 D190 | S121-N123 WeakPolarHBondContact CB-OD1 3.47Å; S121-N123 PolarHBondContact O-ND2 3.24Å; N123-T145 PolarHBondContact ND2-O 3.37Å; N123-C147 PolarHBondContact ND2-SG 3.47Å; N123-L157 HydrophobicContact CB-CD2 4.37Å; N123-I160 HydrophobicContact CB-CD1 3.74Å; N123-R164 PolarHBondContact O-NE 3.15Å; N123-R164 PolarHBondContact O-NH2 2.86Å; N123-D190 WeakPolarHBondContact CA-OD1 3.48Å; N123-D190 PolarHBondContact N-OD1 3.5Å |
| 124 | N | 93.7 | Very high | 94.9 | Very high | 10 Ų | 10 | 32 Ų | 32 | 5% | 0.053 | 15% | 0.147 | C | C | . | . | trans | -138 | 42.7 | -179.3 | -164.6 | 20.6 | 0 | 0 | 0 | 113.9 | H122 C126 S129 T145 V163 R164 E165 | H122-N124 VanDerWaalsContact CE1-C 3.45Å; H122-N124 PolarHBondContact CE1-O 3.41Å; H122-N124 PolarHBondContact ND1-N 3.45Å; H122-N124 PolarHBondContact ND1-O 3.34Å; H122-N124 PolarHBondContact O-N 2.94Å; N124-C126 PolarHBondContact O-N 2.85Å; N124-C126 VanDerWaalsContact O-N 3.11Å; N124-C126 PolarHBondContact O-SG 3.31Å; N124-C126 VanDerWaalsContact O-SG 3.41Å; N124-S129 PolarHBondContact O-OG 3.17Å; N124-T145 HydrophobicContact CB-CG2 3.97Å; N124-T145 VanDerWaalsContact CB-OG1 3.3Å; N124-T145 WeakPolarHBondContact CB-OG1 3.05Å; N124-V163 PolarHBondContact ND2-O 3.39Å; N124-R164 HydrophobicContact CB-CG 4.16Å; N124-R164 WeakPolarHBondContact OD1-CA 3.45Å; N124-E165 PolarHBondContact OD1-N 2.87Å | ||
| 125 | V | 96.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | trans | -68.3 | 111.4 | 177.4 | -172.6 | 0 | 0 | 0 | 0 | 108.9 | L111 H122 T168 D190 F194 M197 | L111-V125 HydrophobicContact CD1-CG1 4.07Å; L111-V125 HydrophobicContact CD1-CG2 4.06Å; L111-V125 HydrophobicContact CD2-CG2 3.71Å; H122-V125 HydrophobicContact CB-CG2 4.01Å; H122-V125 WeakPolarHBondContact ND1-CG2 3.44Å; H122-V125 PolarHBondContact ND1-N 2.9Å; V125-T168 PolarHBondContact O-OG1 2.88Å; V125-D190 HydrophobicContact CG2-CB 4.19Å; V125-F194 HydrophobicContact CG1-CB 4.19Å; V125-M197 HydrophobicContact CG1-CE 4.07Å; V125-M197 HydrophobicContact CG1-SD 3.94Å | ||
| 126 | C | 93.8 | Very high | 94.1 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.02 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -161.2 | 167.4 | -179.1 | 63.8 | 0 | 0 | 0 | 0 | 110.8 | N124 S128 S129 E165 T168 | N124-C126 PolarHBondContact O-N 2.85Å; N124-C126 VanDerWaalsContact O-N 3.11Å; N124-C126 PolarHBondContact O-SG 3.31Å; N124-C126 VanDerWaalsContact O-SG 3.41Å; C126-S128 VanDerWaalsContact C-N 3.34Å; C126-S128 PolarHBondContact O-N 2.69Å; C126-S128 PolarHBondContact SG-OG 2.84Å; C126-S128 VanDerWaalsContact SG-OG 3.38Å; C126-S129 PolarHBondContact N-OG 2.98Å; C126-S129 WeakPolarHBondContact O-CB 3.24Å; C126-S129 PolarHBondContact O-N 3.42Å; C126-S129 PolarHBondContact O-OG 3.49Å; C126-E165 HydrophobicContact CB-CB 3.75Å; C126-E165 HydrophobicContact CB-CG 4.19Å; C126-T168 HydrophobicContact CB-CG2 4.2Å |
| 127 | M | 92.5 | Very high | 93.9 | Very high | 27 Ų | 27 | 32.8 Ų | 32.8 | 13% | 0.133 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -54.8 | -44.4 | -177.2 | -59.8 | -53.9 | -68.3 | 0 | 0 | 113.3 | L88 E89 L92 S129 V130 M197 L201 | L88-M127 HydrophobicContact CD2-CE 3.43Å; L88-M127 VanDerWaalsContact CD2-CE 3.43Å; L88-M127 HydrophobicContact CD2-SD 4.46Å; L88-M127 HydrophobicContact CG-CE 3.9Å; E89-M127 HydrophobicContact CG-CB 3.73Å; E89-M127 VanDerWaalsContact OE1-CB 3.24Å; E89-M127 WeakPolarHBondContact OE1-CB 3.15Å; L92-M127 HydrophobicContact CD1-CE 3.83Å; L92-M127 HydrophobicContact CD2-CE 3.85Å; L92-M127 HydrophobicContact CG-CE 4.34Å; M127-S129 PolarHBondContact O-N 3.31Å; M127-S129 VanDerWaalsContact O-N 3.14Å; M127-V130 PolarHBondContact O-N 3.14Å; M127-M197 HydrophobicContact CG-CG 4.28Å; M127-M197 HydrophobicContact SD-CG 3.43Å; M127-M197 WeakPolarHBondContact SD-CG 3.41Å; M127-M197 HydrophobicContact SD-SD 4.17Å; M127-L201 HydrophobicContact CE-CD1 4.22Å; M127-L201 HydrophobicContact CE-CD2 3.72Å; M127-L201 HydrophobicContact CE-CG 4.17Å; M127-L201 HydrophobicContact SD-CD1 4.16Å; M127-L201 HydrophobicContact SD-CD2 4.37Å; M127-L201 HydrophobicContact SD-CG 4.19Å |
| 128 | S | 91.3 | Very high | 94 | Very high | 28 Ų | 28 | 23.1 Ų | 23.1 | 20% | 0.196 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -66.1 | -12.8 | 177.6 | 75.3 | 0 | 0 | 0 | 0 | 115.2 | E89 C126 | E89-S128 PolarHBondContact OE1-N 3.31Å; C126-S128 VanDerWaalsContact C-N 3.34Å; C126-S128 PolarHBondContact O-N 2.69Å; C126-S128 PolarHBondContact SG-OG 2.84Å; C126-S128 VanDerWaalsContact SG-OG 3.38Å |
| 129 | S | 93.9 | Very high | 94.2 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 3% | 0.028 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -89.2 | -1.8 | 172.8 | 74.4 | 0 | 0 | 0 | 0 | 113.6 | N124 C126 M127 F131 G141 | N124-S129 PolarHBondContact O-OG 3.17Å; C126-S129 PolarHBondContact N-OG 2.98Å; C126-S129 WeakPolarHBondContact O-CB 3.24Å; C126-S129 PolarHBondContact O-N 3.42Å; C126-S129 PolarHBondContact O-OG 3.49Å; M127-S129 PolarHBondContact O-N 3.31Å; M127-S129 VanDerWaalsContact O-N 3.14Å; S129-F131 WeakPolarHBondContact O-CE2 3.22Å; S129-G141 PolarHBondContact O-N 2.84Å |
| 130 | V | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 134.9 | -173.8 | -175 | 0 | 0 | 0 | 0 | 111.3 | L88 L107 M127 W138 M197 | L88-V130 HydrophobicContact CB-CB 4.1Å; L88-V130 HydrophobicContact CB-CG1 4.07Å; L88-V130 WeakPolarHBondContact CB-O 3.47Å; L88-V130 HydrophobicContact CD2-CB 3.88Å; L88-V130 HydrophobicContact CD2-CG1 3.59Å; L88-V130 HydrophobicContact CG-CG1 4.42Å; L88-V130 PolarHBondContact N-O 3.27Å; L107-V130 HydrophobicContact CD1-CB 4.4Å; L107-V130 HydrophobicContact CD1-CG1 3.95Å; L107-V130 HydrophobicContact CD1-CG2 3.5Å; L107-V130 HydrophobicContact CD2-CG1 4.05Å; L107-V130 HydrophobicContact CD2-CG2 4.04Å; L107-V130 HydrophobicContact CG-CG1 4.36Å; L107-V130 HydrophobicContact CG-CG2 4.41Å; M127-V130 PolarHBondContact O-N 3.14Å; V130-W138 HydrophobicContact CG1-CB 4.12Å; V130-W138 HydrophobicContact CG1-CD2 4.11Å; V130-W138 HydrophobicContact CG1-CE3 3.95Å; V130-W138 HydrophobicContact CG1-CG 4.22Å; V130-M197 HydrophobicContact CG2-SD 4.22Å |
| 131 | F | 96.3 | Very high | 94.2 | Very high | 6 Ų | 6 | 18 Ų | 18 | 3% | 0.026 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 154.5 | -179.4 | -52.7 | -83.5 | 0 | 0 | 0 | 110.1 | L20 M26 F40 L66 V85 Q86 P87 S129 W138 K139 | L20-F131 HydrophobicContact CD1-CE1 4.49Å; L20-F131 HydrophobicContact CD1-CZ 4.2Å; M26-F131 HydrophobicContact CE-CD1 3.43Å; M26-F131 VanDerWaalsContact CE-CD1 3.43Å; M26-F131 HydrophobicContact CE-CE1 3.54Å; M26-F131 HydrophobicContact CE-CG 4.4Å; F40-F131 AromaticContact CE1-CE1 3.8Å; F40-F131 HydrophobicContact CE1-CE1 3.8Å; F40-F131 HydrophobicContact CE1-CE2 4.39Å; F40-F131 AromaticContact CE1-CZ 3.7Å; F40-F131 HydrophobicContact CE1-CZ 3.7Å; F40-F131 HydrophobicContact CZ-CD1 4.31Å; F40-F131 AromaticContact CZ-CE1 3.96Å; F40-F131 HydrophobicContact CZ-CE1 3.96Å; F40-F131 HydrophobicContact CZ-CE2 4.31Å; F40-F131 AromaticContact CZ-CZ 3.98Å; F40-F131 HydrophobicContact CZ-CZ 3.98Å; L66-F131 HydrophobicContact CD2-CD2 4.21Å; V85-F131 HydrophobicContact CB-CB 3.84Å; V85-F131 HydrophobicContact CG1-CB 4.38Å; V85-F131 HydrophobicContact CG2-CB 3.75Å; V85-F131 HydrophobicContact CG2-CD1 4.37Å; V85-F131 HydrophobicContact CG2-CG 4.18Å; Q86-F131 CarbonylContact O-C 3.53Å; Q86-F131 WeakPolarHBondContact O-CA 3.24Å; Q86-F131 WeakPolarHBondContact O-CB 3.41Å; P87-F131 HydrophobicContact CB-CD1 4.41Å; P87-F131 HydrophobicContact CB-CE1 4.48Å; S129-F131 WeakPolarHBondContact O-CE2 3.22Å; F131-W138 CarbonylContact O-C 3.44Å; F131-W138 WeakPolarHBondContact O-CA 3.27Å; F131-K139 PolarHBondContact N-O 3.1Å; F131-K139 PolarHBondContact O-N 3.16Å |
| 132 | V | 96.1 | Very high | 94.1 | Very high | 11 Ų | 11 | 18.8 Ų | 18.8 | 7% | 0.067 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 128.2 | -179.9 | -170.8 | 0 | 0 | 0 | 0 | 108.9 | V85 Q86 L88 L91 H137 W138 | V85-V132 CarbonylContact C-O 3.52Å; V85-V132 WeakPolarHBondContact CA-O 3.44Å; V85-V132 WeakPolarHBondContact CB-O 3.28Å; Q86-V132 PolarHBondContact N-O 2.91Å; Q86-V132 PolarHBondContact O-N 2.87Å; L88-V132 HydrophobicContact CB-CG2 4.37Å; L88-V132 HydrophobicContact CD1-CG2 3.8Å; L91-V132 HydrophobicContact CD1-CB 3.74Å; L91-V132 HydrophobicContact CD1-CG1 4.33Å; L91-V132 HydrophobicContact CD1-CG2 3.74Å; V132-H137 WeakPolarHBondContact CA-O 3.41Å; V132-W138 HydrophobicContact CG2-CG 4.49Å |
| 133 | S | 94.4 | Very high | 94 | Very high | 11 Ų | 11 | 18.9 Ų | 18.9 | 8% | 0.077 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 164.9 | 174.6 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | D135 G136 H137 K139 | S133-D135 PolarHBondContact O-N 2.75Å; S133-D135 VanDerWaalsContact O-N 3.08Å; S133-D135 PolarHBondContact OG-OD1 3.28Å; S133-G136 WeakPolarHBondContact O-CA 3.48Å; S133-G136 PolarHBondContact O-N 3.25Å; S133-H137 PolarHBondContact N-O 3.36Å; S133-H137 PolarHBondContact OG-N 2.74Å; S133-H137 PolarHBondContact OG-O 3.47Å; S133-K139 WeakPolarHBondContact OG-CE 3.48Å |
| 134 | E | 88.8 | Confident | 93.8 | Very high | 147 Ų | 147 | 20.5 Ų | 20.5 | 69% | 0.687 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -23.8 | 178.7 | -59 | -177.2 | 135.9 | 0 | 0 | 114 | R84 | R84-E134 HydrophobicContact CB-CG 4.11Å; R84-E134 HydrophobicContact CG-CG 3.65Å; R84-E134 VanDerWaalsContact CG-OE1 3.29Å; R84-E134 WeakPolarHBondContact CG-OE1 3.32Å |
| 135 | D | 86.4 | Confident | 93.9 | Very high | 64 Ų | 64 | 20 Ų | 20 | 34% | 0.342 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 16.2 | 174.1 | 75.5 | -26.9 | 0 | 0 | 0 | 113.8 | S133 H137 R297 K301 | S133-D135 PolarHBondContact O-N 2.75Å; S133-D135 VanDerWaalsContact O-N 3.08Å; S133-D135 PolarHBondContact OG-OD1 3.28Å; D135-H137 PolarHBondContact O-N 2.95Å; D135-H137 IonicContact OD1-CD2 3.97Å; D135-H137 IonicContact OD2-CD2 2.69Å; D135-H137 PolarHBondContact OD2-CD2 2.91Å; D135-R297 WeakPolarHBondContact O-CD 3.5Å; D135-R297 PolarHBondContact O-NH1 3.42Å; D135-K301 IonicContact OD2-NZ 2.66Å; D135-K301 PolarHBondContact OD2-NZ 3.39Å |
| 136 | G | 90 | Very high | 93.9 | Very high | 21 Ų | 21 | 20 Ų | 20 | 22% | 0.216 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 76.4 | 8.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | S133 R297 | S133-G136 WeakPolarHBondContact O-CA 3.48Å; S133-G136 PolarHBondContact O-N 3.25Å; G136-R297 VanDerWaalsContact C-CZ 3.4Å; G136-R297 VanDerWaalsContact C-NH1 3.27Å; G136-R297 PolarHBondContact O-NH1 3.08Å; G136-R297 PolarHBondContact O-NH2 3.4Å |
| 137 | H | 92.9 | Very high | 93.9 | Very high | 24 Ų | 24 | 19.9 Ų | 19.9 | 11% | 0.111 | 11% | 0.111 | C | C | . | . | trans | -78.5 | 138.8 | 176.2 | -79.9 | -66.3 | 0 | 0 | 0 | 111.6 | D106 V132 S133 D135 R297 | D106-H137 VanDerWaalsContact CG-ND1 3.29Å; D106-H137 IonicContact OD1-CE1 2.7Å; D106-H137 IonicContact OD1-ND1 3.76Å; D106-H137 PolarHBondContact OD1-ND1 3.29Å; D106-H137 VanDerWaalsContact OD1-ND1 3.14Å; D106-H137 WeakPolarHBondContact OD2-CA 3.07Å; D106-H137 IonicContact OD2-CE1 3.72Å; D106-H137 IonicContact OD2-CG 1.81Å; D106-H137 IonicContact OD2-ND1 2.69Å; D106-H137 PolarHBondContact OD2-ND1 3.46Å; V132-H137 WeakPolarHBondContact CA-O 3.41Å; S133-H137 PolarHBondContact N-O 3.36Å; S133-H137 PolarHBondContact OG-N 2.74Å; S133-H137 PolarHBondContact OG-O 3.47Å; D135-H137 PolarHBondContact O-N 2.95Å; D135-H137 IonicContact OD1-CD2 3.97Å; D135-H137 IonicContact OD2-CD2 2.69Å; D135-H137 PolarHBondContact OD2-CD2 2.91Å; H137-R297 PolarHBondContact CD2-NH1 3.49Å; H137-R297 PolarHBondContact CE1-NH1 3.32Å; H137-R297 VanDerWaalsContact CE1-NH1 3.28Å; H137-R297 PolarHBondContact ND1-NH1 2.85Å; H137-R297 PolarHBondContact NE2-NH1 3.26Å | ||
| 138 | W | 97.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 133.8 | 173.7 | -71.8 | 20 | 0 | 0 | 0 | 110.4 | L88 L95 L100 G103 I104 D106 L107 V130 F131 V132 L201 | L88-W138 HydrophobicContact CD1-CD2 4.26Å; L88-W138 HydrophobicContact CD1-CH2 4.05Å; L88-W138 HydrophobicContact CD1-CZ2 3.44Å; L88-W138 VanDerWaalsContact CD1-CZ2 3.44Å; L88-W138 HydrophobicContact CD2-CD2 4Å; L88-W138 HydrophobicContact CD2-CE3 3.76Å; L88-W138 HydrophobicContact CD2-CH2 3.57Å; L88-W138 HydrophobicContact CD2-CZ2 3.8Å; L88-W138 HydrophobicContact CD2-CZ3 3.54Å; L88-W138 HydrophobicContact CG-CH2 4.45Å; L88-W138 HydrophobicContact CG-CZ2 4.28Å; L95-W138 HydrophobicContact CD1-CZ2 3.79Å; L100-W138 HydrophobicContact CD2-CH2 4.09Å; L100-W138 HydrophobicContact CD2-CZ2 4.01Å; G103-W138 VanDerWaalsContact C-CD2 3.46Å; G103-W138 VanDerWaalsContact O-CE3 3.25Å; I104-W138 HydrophobicContact CG1-CH2 4.32Å; I104-W138 HydrophobicContact CG1-CZ3 4.02Å; D106-W138 HydrophobicContact CB-CB 4.13Å; D106-W138 PolarHBondContact OD2-N 3.26Å; L107-W138 HydrophobicContact CD1-CE3 3.63Å; L107-W138 HydrophobicContact CD1-CZ3 4.14Å; L107-W138 HydrophobicContact CD2-CB 4.38Å; L107-W138 HydrophobicContact CG-CB 4.22Å; L107-W138 HydrophobicContact CG-CE3 3.98Å; V130-W138 HydrophobicContact CG1-CB 4.12Å; V130-W138 HydrophobicContact CG1-CD2 4.11Å; V130-W138 HydrophobicContact CG1-CE3 3.95Å; V130-W138 HydrophobicContact CG1-CG 4.22Å; F131-W138 CarbonylContact O-C 3.44Å; F131-W138 WeakPolarHBondContact O-CA 3.27Å; V132-W138 HydrophobicContact CG2-CG 4.49Å; W138-L201 HydrophobicContact CH2-CD1 4.04Å; W138-L201 HydrophobicContact CZ3-CD1 4.17Å |
| 139 | K | 98 | Very high | 94.3 | Very high | 16 Ų | 16 | 22.7 Ų | 22.7 | 7% | 0.07 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 121.5 | -174.7 | -53.6 | -51.2 | -172.3 | 103.9 | 0 | 109.4 | P63 C64 L66 E83 V85 F131 S133 | P63-K139 WeakPolarHBondContact O-CD 3.32Å; P63-K139 VanDerWaalsContact O-CE 3.23Å; P63-K139 WeakPolarHBondContact O-CE 3.28Å; P63-K139 PolarHBondContact O-NZ 3.48Å; C64-K139 WeakPolarHBondContact O-CA 3.32Å; L66-K139 HydrophobicContact CB-CB 4.32Å; L66-K139 HydrophobicContact CD1-CB 4.38Å; E83-K139 IonicContact OE1-NZ 3.71Å; E83-K139 PolarHBondContact OE1-NZ 2.97Å; E83-K139 IonicContact OE2-NZ 2.88Å; V85-K139 HydrophobicContact CG1-CG 4.24Å; F131-K139 PolarHBondContact N-O 3.1Å; F131-K139 PolarHBondContact O-N 3.16Å; S133-K139 WeakPolarHBondContact OG-CE 3.48Å |
| 140 | L | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 126.5 | 169.3 | -170.9 | 66.3 | 0 | 0 | 0 | 109.6 | C64 L65 L66 L107 A110 L111 M143 | C64-L140 PolarHBondContact O-N 3.25Å; L65-L140 HydrophobicContact CD2-CB 4Å; L65-L140 HydrophobicContact CD2-CD2 4.19Å; L66-L140 WeakPolarHBondContact CB-O 3.48Å; L66-L140 PolarHBondContact N-O 3.49Å; L107-L140 HydrophobicContact CD2-CB 4.08Å; L107-L140 HydrophobicContact CD2-CD1 4.42Å; A110-L140 HydrophobicContact CB-CB 4.23Å; A110-L140 HydrophobicContact CB-CD2 4.49Å; L111-L140 HydrophobicContact CD2-CD2 3.67Å; L111-L140 HydrophobicContact CG-CD2 4.37Å; L140-M143 HydrophobicContact CB-CE 4.36Å; L140-M143 HydrophobicContact CG-CE 4.23Å; L140-M143 WeakPolarHBondContact O-CE 3.36Å |
| 141 | G | 95.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | trans | -103.7 | -133.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | H122 S129 M143 | H122-G141 PolarHBondContact NE2-O 3.48Å; H122-G141 VanDerWaalsContact NE2-O 3.1Å; S129-G141 PolarHBondContact O-N 2.84Å; G141-M143 VanDerWaalsContact C-N 3.26Å; G141-M143 WeakPolarHBondContact O-CE 3.49Å; G141-M143 PolarHBondContact O-N 3.07Å; G141-M143 VanDerWaalsContact O-N 3.1Å | ||
| 142 | G | 92.2 | Very high | 93.9 | Very high | 17 Ų | 17 | 30.5 Ų | 30.5 | 18% | 0.175 | 17% | 0.167 | C | C | . | . | trans | 64.1 | 16.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | E144 T145 | G142-E144 WeakPolarHBondContact CA-OE2 3.23Å; G142-E144 PolarHBondContact O-N 3.16Å; G142-T145 PolarHBondContact O-N 3.03Å; G142-T145 VanDerWaalsContact O-N 3.08Å; G142-T145 PolarHBondContact O-OG1 3.15Å; G142-T145 VanDerWaalsContact O-OG1 3.1Å | ||
| 143 | M | 94.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -2.4 | -166 | -57.1 | -60 | 166.6 | 0 | 0 | 115.8 | A53 H56 L57 L65 L140 G141 T145 V146 | A53-M143 HydrophobicContact CB-CB 4.18Å; H56-M143 HydrophobicContact CB-CB 3.86Å; H56-M143 HydrophobicContact CB-CG 4.43Å; H56-M143 PolarHBondContact ND1-O 3.37Å; L57-M143 HydrophobicContact CD2-CB 4.33Å; L57-M143 HydrophobicContact CD2-CE 4.27Å; L57-M143 HydrophobicContact CD2-CG 3.41Å; L57-M143 VanDerWaalsContact CD2-CG 3.41Å; L57-M143 HydrophobicContact CG-CB 4.1Å; L57-M143 HydrophobicContact CG-CG 3.69Å; L65-M143 HydrophobicContact CB-CE 4.31Å; L65-M143 HydrophobicContact CD2-CE 3.76Å; L65-M143 HydrophobicContact CG-CE 4.44Å; L140-M143 HydrophobicContact CB-CE 4.36Å; L140-M143 HydrophobicContact CG-CE 4.23Å; L140-M143 WeakPolarHBondContact O-CE 3.36Å; G141-M143 VanDerWaalsContact C-N 3.26Å; G141-M143 WeakPolarHBondContact O-CE 3.49Å; G141-M143 PolarHBondContact O-N 3.07Å; G141-M143 VanDerWaalsContact O-N 3.1Å; M143-T145 VanDerWaalsContact C-N 3.34Å; M143-V146 HydrophobicContact CB-CG2 4.37Å; M143-V146 HydrophobicContact SD-CG2 3.63Å |
| 144 | E | 92.3 | Very high | 93.7 | Very high | 34 Ų | 34 | 33.1 Ų | 33.1 | 16% | 0.159 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -30.1 | 168.3 | 66.1 | -85.9 | -154.2 | 0 | 0 | 112.9 | K49 K52 A53 G142 | K49-E144 HydrophobicContact CB-CB 4.01Å; K52-E144 WeakPolarHBondContact CD-O 3.4Å; K52-E144 WeakPolarHBondContact CE-O 3.4Å; K52-E144 PolarHBondContact NZ-O 3.1Å; A53-E144 HydrophobicContact CB-CB 4.25Å; G142-E144 WeakPolarHBondContact CA-OE2 3.23Å; G142-E144 PolarHBondContact O-N 3.16Å |
| 145 | T | 94.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -86.2 | -11.6 | 177.9 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | H122 N123 N124 G142 M143 F156 I160 V163 | H122-T145 CarbonylContact O-C 3.44Å; H122-T145 VanDerWaalsContact O-C 3.3Å; H122-T145 WeakPolarHBondContact O-CB 3.33Å; H122-T145 PolarHBondContact O-OG1 3.37Å; N123-T145 PolarHBondContact ND2-O 3.37Å; N124-T145 HydrophobicContact CB-CG2 3.97Å; N124-T145 VanDerWaalsContact CB-OG1 3.3Å; N124-T145 WeakPolarHBondContact CB-OG1 3.05Å; G142-T145 PolarHBondContact O-N 3.03Å; G142-T145 VanDerWaalsContact O-N 3.08Å; G142-T145 PolarHBondContact O-OG1 3.15Å; G142-T145 VanDerWaalsContact O-OG1 3.1Å; M143-T145 VanDerWaalsContact C-N 3.34Å; T145-F156 WeakPolarHBondContact O-CZ 3.41Å; T145-I160 HydrophobicContact CG2-CB 4.06Å; T145-I160 HydrophobicContact CG2-CD1 4.05Å; T145-I160 HydrophobicContact CG2-CG2 4.16Å; T145-V163 HydrophobicContact CG2-CG2 3.65Å |
| 146 | V | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -62.3 | 140.6 | 176.4 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | K52 H56 L60 L114 S121 M143 | K52-V146 WeakPolarHBondContact CE-O 3.39Å; K52-V146 PolarHBondContact NZ-O 2.83Å; H56-V146 PolarHBondContact CE1-O 2.95Å; H56-V146 VanDerWaalsContact CE1-O 3.29Å; L60-V146 HydrophobicContact CD1-CG1 4.44Å; L114-V146 HydrophobicContact CD1-CG1 4.31Å; L114-V146 HydrophobicContact CD2-CG2 4.48Å; S121-V146 VanDerWaalsContact O-CA 3.26Å; S121-V146 WeakPolarHBondContact O-CA 3.34Å; M143-V146 HydrophobicContact CB-CG2 4.37Å; M143-V146 HydrophobicContact SD-CG2 3.63Å | ||
| 147 | C | 95.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.014 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 165.9 | 170.2 | 66.9 | 0 | 0 | 0 | 0 | 109.9 | S120 S121 N123 E151 A152 F156 | S120-C147 CarbonylContact C-O 3.58Å; S120-C147 WeakPolarHBondContact CA-O 3.43Å; S120-C147 WeakPolarHBondContact CB-O 3.3Å; S120-C147 PolarHBondContact OG-O 2.73Å; S121-C147 PolarHBondContact N-O 2.6Å; S121-C147 PolarHBondContact O-N 2.88Å; S121-C147 VanDerWaalsContact O-N 3.15Å; N123-C147 PolarHBondContact ND2-SG 3.47Å; C147-E151 HydrophobicContact CB-CB 3.95Å; C147-E151 WeakPolarHBondContact CB-OE2 3.45Å; C147-A152 WeakPolarHBondContact SG-CB 3.33Å; C147-F156 HydrophobicContact CB-CD1 4.45Å; C147-F156 HydrophobicContact CB-CE1 3.91Å; C147-F156 HydrophobicContact CB-CZ 4.05Å; C147-F156 WeakPolarHBondContact SG-CE1 3.46Å |
| 148 | K | 95.8 | Very high | 94.2 | Very high | 98 Ų | 98 | 32.2 Ų | 32.2 | 43% | 0.426 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 157 | 168.4 | -66.4 | -72.5 | 175.1 | 178.8 | 0 | 110.7 | G118 A150 E151 A152 | G118-K148 PolarHBondContact O-NZ 2.91Å; K148-A150 PolarHBondContact O-N 3.24Å; K148-E151 HydrophobicContact CB-CB 4.3Å; K148-E151 HydrophobicContact CB-CG 3.89Å; K148-E151 PolarHBondContact N-OE2 3.46Å; K148-E151 WeakPolarHBondContact O-CB 3.23Å; K148-E151 PolarHBondContact O-N 2.83Å; K148-E151 VanDerWaalsContact O-N 3.11Å; K148-A152 PolarHBondContact O-N 3.23Å |
| 149 | F | 95.4 | Very high | 93.9 | Very high | 15 Ų | 15 | 36.8 Ų | 36.8 | 7% | 0.066 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -47.4 | 178.9 | -69.4 | -26.4 | 0 | 0 | 0 | 113 | H115 K119 S120 S121 E151 A152 A186 H187 | H115-F149 HydrophobicContact CB-CZ 4.2Å; K119-F149 HydrophobicContact CB-CD2 4.25Å; K119-F149 HydrophobicContact CB-CE2 4.35Å; K119-F149 HydrophobicContact CD-CE2 4.38Å; K119-F149 WeakPolarHBondContact O-CG 3.31Å; K119-F149 PolarHBondContact O-N 2.86Å; K119-F149 VanDerWaalsContact O-N 3.08Å; S120-F149 VanDerWaalsContact O-CE1 3.23Å; S120-F149 WeakPolarHBondContact O-CE1 3.42Å; S121-F149 WeakPolarHBondContact OG-CD1 3.48Å; F149-E151 VanDerWaalsContact C-N 3.34Å; F149-E151 PolarHBondContact O-N 3Å; F149-A152 VanDerWaalsContact O-CB 3.31Å; F149-A152 WeakPolarHBondContact O-CB 3.48Å; F149-A152 PolarHBondContact O-N 2.89Å; F149-A186 HydrophobicContact CB-CB 3.51Å; F149-A186 HydrophobicContact CD1-CB 3.48Å; F149-A186 VanDerWaalsContact CD1-CB 3.48Å; F149-A186 HydrophobicContact CD2-CB 4.01Å; F149-A186 HydrophobicContact CE1-CB 4.1Å; F149-A186 HydrophobicContact CG-CB 3.41Å; F149-A186 VanDerWaalsContact CG-CB 3.41Å; F149-H187 HydrophobicContact CZ-CB 4.32Å |
| 150 | A | 92.8 | Very high | 93.5 | Very high | 67 Ų | 67 | 36.7 Ų | 36.7 | 55% | 0.554 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -25.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | K148 A152 | K148-A150 PolarHBondContact O-N 3.24Å; A150-A152 VanDerWaalsContact C-N 3.25Å; A150-A152 PolarHBondContact O-N 2.85Å |
| 151 | E | 93.5 | Very high | 93 | Very high | 107 Ų | 107 | 42.8 Ų | 42.8 | 50% | 0.5 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -13.2 | 176.8 | -67.8 | 167.7 | -179.8 | 0 | 0 | 112.6 | C147 K148 F149 T153 | C147-E151 HydrophobicContact CB-CB 3.95Å; C147-E151 WeakPolarHBondContact CB-OE2 3.45Å; K148-E151 HydrophobicContact CB-CB 4.3Å; K148-E151 HydrophobicContact CB-CG 3.89Å; K148-E151 PolarHBondContact N-OE2 3.46Å; K148-E151 WeakPolarHBondContact O-CB 3.23Å; K148-E151 PolarHBondContact O-N 2.83Å; K148-E151 VanDerWaalsContact O-N 3.11Å; F149-E151 VanDerWaalsContact C-N 3.34Å; F149-E151 PolarHBondContact O-N 3Å; E151-T153 PolarHBondContact O-N 2.95Å |
| 152 | A | 93 | Very high | 92.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -84.7 | 53.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | C147 K148 F149 A150 R189 | C147-A152 WeakPolarHBondContact SG-CB 3.33Å; K148-A152 PolarHBondContact O-N 3.23Å; F149-A152 VanDerWaalsContact O-CB 3.31Å; F149-A152 WeakPolarHBondContact O-CB 3.48Å; F149-A152 PolarHBondContact O-N 2.89Å; A150-A152 VanDerWaalsContact C-N 3.25Å; A150-A152 PolarHBondContact O-N 2.85Å; A152-R189 VanDerWaalsContact CB-CZ 3.48Å; A152-R189 VanDerWaalsContact CB-NH1 3.29Å; A152-R189 PolarHBondContact O-NH1 2.85Å | ||
| 153 | T | 93.7 | Very high | 92.1 | Very high | 37 Ų | 37 | 50.8 Ų | 50.8 | 23% | 0.227 | 28% | 0.275 | C | S | . | . | trans | -77.8 | 164.5 | -175.1 | 80.7 | 0 | 0 | 0 | 0 | 112.7 | E151 E155 F156 L157 | E151-T153 PolarHBondContact O-N 2.95Å; T153-E155 WeakPolarHBondContact CB-OE2 3.45Å; T153-E155 PolarHBondContact O-N 2.83Å; T153-E155 PolarHBondContact OG1-N 2.84Å; T153-E155 PolarHBondContact OG1-OE2 3.02Å; T153-F156 PolarHBondContact O-N 3.17Å; T153-F156 PolarHBondContact OG1-N 2.75Å; T153-L157 VanDerWaalsContact O-CG 3.3Å; T153-L157 WeakPolarHBondContact O-CG 3.35Å; T153-L157 PolarHBondContact O-N 3.47Å | ||
| 154 | P | 92.4 | Very high | 91.7 | Very high | 40 Ų | 40 | 51.6 Ų | 51.6 | 26% | 0.26 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -55.7 | -37.2 | 174.8 | -24.1 | 34.8 | 0 | 0 | 0 | 113.1 | L157 S158 F178 | P154-L157 PolarHBondContact O-N 2.94Å; P154-S158 PolarHBondContact O-N 2.8Å; P154-F178 HydrophobicContact CB-CD1 4.33Å; P154-F178 HydrophobicContact CG-CD1 3.96Å; P154-F178 HydrophobicContact CG-CE1 4.36Å; P154-F178 WeakPolarHBondContact CG-O 3.37Å |
| 155 | E | 92.5 | Very high | 91.3 | Very high | 125 Ų | 125 | 53.7 Ų | 53.7 | 58% | 0.584 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64 | -49.9 | 176.8 | -55.3 | 71.6 | -154.3 | 0 | 0 | 110.2 | T153 L157 S158 T159 | T153-E155 WeakPolarHBondContact CB-OE2 3.45Å; T153-E155 PolarHBondContact O-N 2.83Å; T153-E155 PolarHBondContact OG1-N 2.84Å; T153-E155 PolarHBondContact OG1-OE2 3.02Å; E155-L157 PolarHBondContact O-N 2.91Å; E155-S158 PolarHBondContact O-N 2.98Å; E155-S158 PolarHBondContact O-OG 3.46Å; E155-T159 PolarHBondContact O-N 2.98Å |
| 156 | F | 93 | Very high | 91 | Very high | 37 Ų | 37 | 58.5 Ų | 58.5 | 16% | 0.162 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.9 | -47.8 | 175.7 | 171 | -106 | 0 | 0 | 0 | 111.8 | T145 C147 T153 S158 T159 I160 | T145-F156 WeakPolarHBondContact O-CZ 3.41Å; C147-F156 HydrophobicContact CB-CD1 4.45Å; C147-F156 HydrophobicContact CB-CE1 3.91Å; C147-F156 HydrophobicContact CB-CZ 4.05Å; C147-F156 WeakPolarHBondContact SG-CE1 3.46Å; T153-F156 PolarHBondContact O-N 3.17Å; T153-F156 PolarHBondContact OG1-N 2.75Å; F156-S158 PolarHBondContact O-N 3.01Å; F156-T159 PolarHBondContact O-N 3.38Å; F156-T159 PolarHBondContact O-OG1 2.9Å; F156-I160 HydrophobicContact CE1-CD1 3.74Å; F156-I160 HydrophobicContact CE1-CG1 4.39Å; F156-I160 HydrophobicContact CE2-CG2 4Å; F156-I160 HydrophobicContact CZ-CD1 3.9Å; F156-I160 HydrophobicContact CZ-CG1 4.4Å; F156-I160 HydrophobicContact CZ-CG2 3.94Å; F156-I160 PolarHBondContact O-N 2.95Å |
| 157 | L | 92.5 | Very high | 90.5 | Very high | 9 Ų | 9 | 61.4 Ų | 61.4 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.4 | -33.8 | 180 | -67.7 | 166.6 | 0 | 0 | 0 | 112.2 | N123 T153 P154 E155 I160 Q161 E173 F178 | N123-L157 HydrophobicContact CB-CD2 4.37Å; T153-L157 VanDerWaalsContact O-CG 3.3Å; T153-L157 WeakPolarHBondContact O-CG 3.35Å; T153-L157 PolarHBondContact O-N 3.47Å; P154-L157 PolarHBondContact O-N 2.94Å; E155-L157 PolarHBondContact O-N 2.91Å; L157-I160 HydrophobicContact CD2-CD1 4.33Å; L157-I160 WeakPolarHBondContact O-CG1 3.49Å; L157-I160 PolarHBondContact O-N 3.12Å; L157-Q161 PolarHBondContact O-N 3.06Å; L157-E173 HydrophobicContact CD1-CG 4.5Å; L157-F178 HydrophobicContact CD1-CE1 3.73Å; L157-F178 HydrophobicContact CD1-CZ 4.41Å |
| 158 | S | 90.6 | Very high | 90.2 | Very high | 67 Ų | 67 | 61.7 Ų | 61.7 | 47% | 0.469 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 173.2 | 80.3 | 0 | 0 | 0 | 0 | 112.7 | P154 E155 F156 I160 Q161 | P154-S158 PolarHBondContact O-N 2.8Å; E155-S158 PolarHBondContact O-N 2.98Å; E155-S158 PolarHBondContact O-OG 3.46Å; F156-S158 PolarHBondContact O-N 3.01Å; S158-I160 PolarHBondContact O-N 3.31Å; S158-Q161 WeakPolarHBondContact O-CB 3.33Å; S158-Q161 PolarHBondContact O-N 3.01Å |
| 159 | T | 90.4 | Very high | 90.1 | Very high | 97 Ų | 97 | 58 Ų | 58 | 60% | 0.595 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.8 | -27.8 | 179.2 | 69.5 | 0 | 0 | 0 | 0 | 113.3 | E155 F156 | E155-T159 PolarHBondContact O-N 2.98Å; F156-T159 PolarHBondContact O-N 3.38Å; F156-T159 PolarHBondContact O-OG1 2.9Å |
| 160 | I | 90.5 | Very high | 90 | Very high | 14 Ų | 14 | 57.3 Ų | 57.3 | 7% | 0.072 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 0.2 | 178.7 | 61.5 | 164.4 | 0 | 0 | 0 | 113.7 | N123 T145 F156 L157 S158 N162 V163 R164 | N123-I160 HydrophobicContact CB-CD1 3.74Å; T145-I160 HydrophobicContact CG2-CB 4.06Å; T145-I160 HydrophobicContact CG2-CD1 4.05Å; T145-I160 HydrophobicContact CG2-CG2 4.16Å; F156-I160 HydrophobicContact CE1-CD1 3.74Å; F156-I160 HydrophobicContact CE1-CG1 4.39Å; F156-I160 HydrophobicContact CE2-CG2 4Å; F156-I160 HydrophobicContact CZ-CD1 3.9Å; F156-I160 HydrophobicContact CZ-CG1 4.4Å; F156-I160 HydrophobicContact CZ-CG2 3.94Å; F156-I160 PolarHBondContact O-N 2.95Å; L157-I160 HydrophobicContact CD2-CD1 4.33Å; L157-I160 WeakPolarHBondContact O-CG1 3.49Å; L157-I160 PolarHBondContact O-N 3.12Å; S158-I160 PolarHBondContact O-N 3.31Å; I160-N162 PolarHBondContact O-N 2.84Å; I160-V163 HydrophobicContact CB-CG2 4.13Å; I160-V163 WeakPolarHBondContact O-CG2 3.44Å; I160-V163 PolarHBondContact O-N 3.08Å; I160-R164 WeakPolarHBondContact O-CG 3.49Å; I160-R164 PolarHBondContact O-N 3.36Å |
| 161 | Q | 87.4 | Confident | 90 | Very high | 129 Ų | 129 | 56 Ų | 56 | 60% | 0.603 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -55.7 | -39.5 | -178.3 | -171.3 | 176.3 | 13.2 | 0 | 0 | 112.5 | L157 S158 V163 R164 | L157-Q161 PolarHBondContact O-N 3.06Å; S158-Q161 WeakPolarHBondContact O-CB 3.33Å; S158-Q161 PolarHBondContact O-N 3.01Å; Q161-V163 PolarHBondContact O-N 2.78Å; Q161-R164 PolarHBondContact O-N 2.81Å |
| 162 | N | 84.4 | Confident | 89.9 | Confident | 152 Ų | 152 | 51.9 Ų | 51.9 | 81% | 0.813 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -70.4 | -6.8 | -179.2 | -65.4 | -36.7 | 0 | 0 | 0 | 115.1 | I160 | I160-N162 PolarHBondContact O-N 2.84Š|
| 163 | V | 82.5 | Confident | 89.8 | Confident | 35 Ų | 35 | 53.4 Ų | 53.4 | 21% | 0.212 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -115.1 | 1.6 | 174.2 | -61.1 | 0 | 0 | 0 | 0 | 112.9 | N124 T145 I160 Q161 | N124-V163 PolarHBondContact ND2-O 3.39Å; T145-V163 HydrophobicContact CG2-CG2 3.65Å; I160-V163 HydrophobicContact CB-CG2 4.13Å; I160-V163 WeakPolarHBondContact O-CG2 3.44Å; I160-V163 PolarHBondContact O-N 3.08Å; Q161-V163 PolarHBondContact O-N 2.78Å |
| 164 | R | 87.4 | Confident | 89.5 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 7% | 0.072 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -95.5 | 138.6 | -178 | -72.6 | 170.4 | 80.2 | -161.8 | 8.9 | 112.1 | N123 N124 I160 Q161 T166 V169 E173 | N123-R164 PolarHBondContact O-NE 3.15Å; N123-R164 PolarHBondContact O-NH2 2.86Å; N124-R164 HydrophobicContact CB-CG 4.16Å; N124-R164 WeakPolarHBondContact OD1-CA 3.45Å; I160-R164 WeakPolarHBondContact O-CG 3.49Å; I160-R164 PolarHBondContact O-N 3.36Å; Q161-R164 PolarHBondContact O-N 2.81Å; R164-T166 PolarHBondContact O-N 3.45Å; R164-V169 HydrophobicContact CB-CG2 4.19Å; R164-E173 IonicContact CZ-OE1 3.73Å; R164-E173 IonicContact CZ-OE2 3.41Å; R164-E173 VanDerWaalsContact CZ-OE2 3.29Å; R164-E173 IonicContact NH1-OE1 3.03Å; R164-E173 IonicContact NH1-OE2 3.71Å; R164-E173 PolarHBondContact NH1-OE2 3.41Å; R164-E173 VanDerWaalsContact NH2-CD 3.32Å; R164-E173 IonicContact NH2-OE1 3.69Å; R164-E173 PolarHBondContact NH2-OE1 3.31Å; R164-E173 IonicContact NH2-OE2 3.81Å; R164-E173 PolarHBondContact NH2-OE2 3.23Å |
| 165 | E | 84.1 | Confident | 89.3 | Confident | 78 Ų | 78 | 61 Ų | 61 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | trans | -68.8 | 118.4 | 174.1 | 174.6 | 38.6 | -122 | 0 | 0 | 110.4 | N124 C126 S167 T168 V169 | N124-E165 PolarHBondContact OD1-N 2.87Å; C126-E165 HydrophobicContact CB-CB 3.75Å; C126-E165 HydrophobicContact CB-CG 4.19Å; E165-S167 VanDerWaalsContact CD-OG 3.31Å; E165-S167 VanDerWaalsContact CG-OG 3.31Å; E165-S167 WeakPolarHBondContact CG-OG 3.46Å; E165-S167 PolarHBondContact O-N 3.03Å; E165-S167 VanDerWaalsContact OE1-CB 3.31Å; E165-S167 WeakPolarHBondContact OE1-CB 3.42Å; E165-S167 PolarHBondContact OE1-N 3.44Å; E165-S167 PolarHBondContact OE1-OG 3.04Å; E165-T168 HydrophobicContact CG-CG2 4.22Å; E165-T168 PolarHBondContact O-N 3.48Å; E165-T168 PolarHBondContact O-OG1 2.87Å; E165-V169 PolarHBondContact O-N 2.88Å | ||
| 166 | T | 87.1 | Confident | 89 | Confident | 100 Ų | 100 | 64.4 Ų | 64.4 | 61% | 0.613 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -22.6 | -170.4 | -65.1 | 0 | 0 | 0 | 0 | 113.1 | R164 R174 | R164-T166 PolarHBondContact O-N 3.45Å; T166-R174 PolarHBondContact O-NH2 2.66Å |
| 167 | S | 86.5 | Confident | 88.4 | Confident | 62 Ų | 62 | 66 Ų | 66 | 43% | 0.434 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -24.5 | 172.6 | 58.9 | 0 | 0 | 0 | 0 | 114 | E165 | E165-S167 VanDerWaalsContact CD-OG 3.31Å; E165-S167 VanDerWaalsContact CG-OG 3.31Å; E165-S167 WeakPolarHBondContact CG-OG 3.46Å; E165-S167 PolarHBondContact O-N 3.03Å; E165-S167 VanDerWaalsContact OE1-CB 3.31Å; E165-S167 WeakPolarHBondContact OE1-CB 3.42Å; E165-S167 PolarHBondContact OE1-N 3.44Å; E165-S167 PolarHBondContact OE1-OG 3.04Å |
| 168 | T | 89.2 | Confident | 88.2 | Confident | 7 Ų | 7 | 67.3 Ų | 67.3 | 4% | 0.043 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -13.9 | -180 | 65.1 | 0 | 0 | 0 | 0 | 114.4 | V125 C126 E165 P170 F192 S193 M196 | V125-T168 PolarHBondContact O-OG1 2.88Å; C126-T168 HydrophobicContact CB-CG2 4.2Å; E165-T168 HydrophobicContact CG-CG2 4.22Å; E165-T168 PolarHBondContact O-N 3.48Å; E165-T168 PolarHBondContact O-OG1 2.87Å; T168-P170 WeakPolarHBondContact O-CD 3.18Å; T168-F192 WeakPolarHBondContact O-CD1 3.38Å; T168-S193 PolarHBondContact O-OG 2.97Å; T168-M196 HydrophobicContact CG2-CB 4.12Å |
| 169 | V | 92.2 | Very high | 88.1 | Confident | 22 Ų | 22 | 72.1 Ų | 72.1 | 13% | 0.133 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -57.1 | 121.4 | 175.8 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | R164 E165 E173 R174 | R164-V169 HydrophobicContact CB-CG2 4.19Å; E165-V169 PolarHBondContact O-N 2.88Å; V169-E173 HydrophobicContact CG1-CB 4.22Å; V169-R174 PolarHBondContact O-NE 2.7Å; V169-R174 PolarHBondContact O-NH2 3.19Å |
| 170 | P | 93.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.373 | C | S | . | . | trans | -56.5 | 150.7 | -179.2 | -25.4 | 33.1 | 0 | 0 | 0 | 114.7 | T168 E172 E173 R189 F192 | T168-P170 WeakPolarHBondContact O-CD 3.18Å; P170-E172 VanDerWaalsContact C-N 3.35Å; P170-E172 HydrophobicContact CB-CG 4.44Å; P170-E172 VanDerWaalsContact CB-OE1 3.23Å; P170-E172 WeakPolarHBondContact CB-OE1 3.44Å; P170-E172 VanDerWaalsContact CB-OE2 3.25Å; P170-E172 WeakPolarHBondContact CB-OE2 3.18Å; P170-E172 PolarHBondContact O-N 3.14Å; P170-E173 HydrophobicContact CB-CG 4.47Å; P170-E173 WeakPolarHBondContact CD-OE1 3.21Å; P170-E173 PolarHBondContact O-N 3.33Å; P170-R189 HydrophobicContact CG-CB 3.91Å; P170-R189 HydrophobicContact CG-CG 4.12Å; P170-F192 HydrophobicContact CB-CB 4.36Å; P170-F192 HydrophobicContact CB-CD1 4.02Å; P170-F192 HydrophobicContact CB-CG 4.21Å; P170-F192 HydrophobicContact CG-CB 4.2Å; P170-F192 HydrophobicContact CG-CD1 4.05Å; P170-F192 HydrophobicContact CG-CG 4.37Å | ||
| 171 | P | 92.9 | Very high | 88.2 | Confident | 40 Ų | 40 | 70.1 Ų | 70.1 | 26% | 0.26 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -66.1 | -33.3 | -177 | 26.2 | -34.9 | 0 | 0 | 0 | 113.3 | E173 R174 F192 | P171-E173 VanDerWaalsContact C-N 3.29Å; P171-E173 PolarHBondContact O-N 2.97Å; P171-R174 WeakPolarHBondContact O-CB 3.47Å; P171-R174 PolarHBondContact O-N 2.91Å; P171-R174 VanDerWaalsContact O-N 3.09Å; P171-F192 HydrophobicContact CG-CE2 4.23Å; P171-F192 HydrophobicContact CG-CZ 4.5Å |
| 172 | E | 92.1 | Very high | 88.4 | Confident | 19 Ų | 19 | 67.8 Ų | 67.8 | 9% | 0.089 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -64.2 | -31.4 | -179.7 | 65.7 | -84.3 | -163 | 0 | 0 | 113.2 | P170 R174 V175 F178 P238 R241 | P170-E172 VanDerWaalsContact C-N 3.35Å; P170-E172 HydrophobicContact CB-CG 4.44Å; P170-E172 VanDerWaalsContact CB-OE1 3.23Å; P170-E172 WeakPolarHBondContact CB-OE1 3.44Å; P170-E172 VanDerWaalsContact CB-OE2 3.25Å; P170-E172 WeakPolarHBondContact CB-OE2 3.18Å; P170-E172 PolarHBondContact O-N 3.14Å; E172-R174 PolarHBondContact O-N 3.24Å; E172-V175 PolarHBondContact O-N 2.86Å; E172-F178 HydrophobicContact CB-CD2 4.26Å; E172-F178 HydrophobicContact CB-CE2 4.26Å; E172-F178 HydrophobicContact CG-CD2 4.2Å; E172-F178 HydrophobicContact CG-CE2 3.71Å; E172-F178 VanDerWaalsContact O-CD2 3.22Å; E172-F178 WeakPolarHBondContact O-CD2 3.5Å; E172-P238 HydrophobicContact CB-CG 4.25Å; E172-P238 HydrophobicContact CG-CB 4.3Å; E172-P238 HydrophobicContact CG-CG 3.96Å; E172-R241 IonicContact OE1-CZ 3.6Å; E172-R241 IonicContact OE1-NH1 3.58Å; E172-R241 PolarHBondContact OE1-NH1 3.3Å; E172-R241 IonicContact OE1-NH2 3.62Å; E172-R241 IonicContact OE2-CZ 2.73Å; E172-R241 IonicContact OE2-NH1 3.53Å; E172-R241 PolarHBondContact OE2-NH1 3.21Å; E172-R241 IonicContact OE2-NH2 2.64Å; E172-R241 PolarHBondContact OE2-NH2 2.93Å |
| 173 | E | 91.2 | Very high | 88.7 | Confident | 33 Ų | 33 | 65.1 Ų | 65.1 | 15% | 0.154 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -71.4 | -13.5 | 176.8 | -62.6 | -172.8 | -140 | 0 | 0 | 112.6 | L157 R164 V169 P170 P171 F178 R189 | L157-E173 HydrophobicContact CD1-CG 4.5Å; R164-E173 IonicContact CZ-OE1 3.73Å; R164-E173 IonicContact CZ-OE2 3.41Å; R164-E173 VanDerWaalsContact CZ-OE2 3.29Å; R164-E173 IonicContact NH1-OE1 3.03Å; R164-E173 IonicContact NH1-OE2 3.71Å; R164-E173 PolarHBondContact NH1-OE2 3.41Å; R164-E173 VanDerWaalsContact NH2-CD 3.32Å; R164-E173 IonicContact NH2-OE1 3.69Å; R164-E173 PolarHBondContact NH2-OE1 3.31Å; R164-E173 IonicContact NH2-OE2 3.81Å; R164-E173 PolarHBondContact NH2-OE2 3.23Å; V169-E173 HydrophobicContact CG1-CB 4.22Å; P170-E173 HydrophobicContact CB-CG 4.47Å; P170-E173 WeakPolarHBondContact CD-OE1 3.21Å; P170-E173 PolarHBondContact O-N 3.33Å; P171-E173 VanDerWaalsContact C-N 3.29Å; P171-E173 PolarHBondContact O-N 2.97Å; E173-F178 HydrophobicContact CG-CE1 4.21Å; E173-F178 HydrophobicContact CG-CE2 4.28Å; E173-F178 HydrophobicContact CG-CZ 4.03Å; E173-R189 VanDerWaalsContact OE1-CD 3.25Å; E173-R189 WeakPolarHBondContact OE1-CD 3.34Å; E173-R189 WeakPolarHBondContact OE1-CG 3.47Å |
| 174 | R | 87.9 | Confident | 89.1 | Confident | 144 Ų | 144 | 71.3 Ų | 71.3 | 54% | 0.543 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -92.4 | -0.3 | -179.3 | -49.4 | 177.1 | -171 | -132.4 | 1 | 112.7 | T166 V169 P171 E172 | T166-R174 PolarHBondContact O-NH2 2.66Å; V169-R174 PolarHBondContact O-NE 2.7Å; V169-R174 PolarHBondContact O-NH2 3.19Å; P171-R174 WeakPolarHBondContact O-CB 3.47Å; P171-R174 PolarHBondContact O-N 2.91Å; P171-R174 VanDerWaalsContact O-N 3.09Å; E172-R174 PolarHBondContact O-N 3.24Å |
| 175 | V | 88.1 | Confident | 89.4 | Confident | 93 Ų | 93 | 72 Ų | 72 | 56% | 0.564 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -97.2 | 134.7 | -177.3 | -174.7 | 0 | 0 | 0 | 0 | 110.3 | E172 G177 F178 | E172-V175 PolarHBondContact O-N 2.86Å; V175-G177 PolarHBondContact O-N 3.47Å; V175-F178 PolarHBondContact O-N 3.04Å |
| 176 | E | 84.9 | Confident | 89.8 | Confident | 195 Ų | 195 | 68.3 Ų | 68.3 | 91% | 0.911 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 132.1 | 174.7 | -65.9 | -171.7 | 162.5 | 0 | 0 | 111.2 | ||
| 177 | G | 82.1 | Confident | 90.2 | Very high | 70 Ų | 70 | 64.6 Ų | 64.6 | 72% | 0.722 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 17 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V175 | V175-G177 PolarHBondContact O-N 3.47Š|
| 178 | F | 87 | Confident | 90.7 | Very high | 38 Ų | 38 | 61.7 Ų | 61.7 | 17% | 0.167 | 32% | 0.321 | C | S | . | . | trans | -48.5 | 144 | 165.9 | 175.2 | -101.6 | 0 | 0 | 0 | 111.9 | P154 L157 E172 E173 V175 L181 | P154-F178 HydrophobicContact CB-CD1 4.33Å; P154-F178 HydrophobicContact CG-CD1 3.96Å; P154-F178 HydrophobicContact CG-CE1 4.36Å; P154-F178 WeakPolarHBondContact CG-O 3.37Å; L157-F178 HydrophobicContact CD1-CE1 3.73Å; L157-F178 HydrophobicContact CD1-CZ 4.41Å; E172-F178 HydrophobicContact CB-CD2 4.26Å; E172-F178 HydrophobicContact CB-CE2 4.26Å; E172-F178 HydrophobicContact CG-CD2 4.2Å; E172-F178 HydrophobicContact CG-CE2 3.71Å; E172-F178 VanDerWaalsContact O-CD2 3.22Å; E172-F178 WeakPolarHBondContact O-CD2 3.5Å; E173-F178 HydrophobicContact CG-CE1 4.21Å; E173-F178 HydrophobicContact CG-CE2 4.28Å; E173-F178 HydrophobicContact CG-CZ 4.03Å; V175-F178 PolarHBondContact O-N 3.04Å; F178-L181 HydrophobicContact CE2-CD2 4.24Å; F178-L181 HydrophobicContact CE2-CG 4.45Å; F178-L181 HydrophobicContact CZ-CG 4.38Å | ||
| 179 | K | 88.7 | Confident | 91 | Very high | 167 Ų | 167 | 61.3 Ų | 61.3 | 73% | 0.726 | 32% | 0.319 | S | S | * | . | trans | -132.2 | 155.2 | -179.3 | -64.1 | -178.1 | -178.1 | 179.3 | 0 | 109.9 | L181 | K179-L181 PolarHBondContact O-N 3.16Š| ||
| 180 | T | 90.3 | Very high | 91.2 | Very high | 54 Ų | 54 | 60.3 Ų | 60.3 | 33% | 0.331 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -47.1 | 125.9 | 171.4 | -42.8 | 0 | 0 | 0 | 0 | 110.6 | ||
| 181 | L | 92.1 | Very high | 91.4 | Very high | 15 Ų | 15 | 60.3 Ų | 60.3 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 144.9 | 176 | -62.3 | 177 | 0 | 0 | 0 | 109.9 | F178 K179 H185 R189 P238 | F178-L181 HydrophobicContact CE2-CD2 4.24Å; F178-L181 HydrophobicContact CE2-CG 4.45Å; F178-L181 HydrophobicContact CZ-CG 4.38Å; K179-L181 PolarHBondContact O-N 3.16Å; L181-H185 WeakPolarHBondContact CD1-O 3.47Å; L181-R189 HydrophobicContact CD1-CG 4.02Å; L181-P238 HydrophobicContact CD1-CB 3.97Å; L181-P238 HydrophobicContact CD2-CB 4Å; L181-P238 HydrophobicContact CD2-CG 3.7Å |
| 182 | P | 92.7 | Very high | 91.6 | Very high | 81 Ų | 81 | 59.4 Ų | 59.4 | 53% | 0.526 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 142.9 | 172.4 | -21 | 32.1 | 0 | 0 | 0 | 110.8 | K184 H185 A186 | P182-K184 PolarHBondContact O-N 3.12Å; P182-H185 CarbonylContact O-C 3.56Å; P182-H185 WeakPolarHBondContact O-CA 3.46Å; P182-H185 PolarHBondContact O-N 3.38Å; P182-A186 PolarHBondContact O-N 2.89Å; P182-A186 VanDerWaalsContact O-N 3.08Å |
| 183 | D | 89.8 | Confident | 91.9 | Very high | 96 Ų | 96 | 58.5 Ų | 58.5 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -46.4 | -39.4 | -176.2 | -83 | 30 | 0 | 0 | 0 | 114.4 | H185 A186 | D183-H185 PolarHBondContact O-N 3.36Å; D183-H185 VanDerWaalsContact O-N 3.14Å; D183-A186 PolarHBondContact O-N 2.94Å |
| 184 | K | 91.5 | Very high | 92.2 | Very high | 165 Ų | 165 | 57 Ų | 57 | 72% | 0.717 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -54.8 | -30.4 | 175.5 | -177 | -177.6 | 173 | -169.3 | 0 | 113.4 | P182 H187 | P182-K184 PolarHBondContact O-N 3.12Å; K184-H187 PolarHBondContact O-CE1 3.26Å; K184-H187 PolarHBondContact O-ND1 2.91Å; K184-H187 VanDerWaalsContact O-ND1 3.14Å |
| 185 | H | 94.4 | Very high | 92.7 | Very high | 34 Ų | 34 | 50.1 Ų | 50.1 | 16% | 0.157 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -119.7 | 11.1 | -177.1 | -61.2 | -88.5 | 0 | 0 | 0 | 112.9 | L181 P182 D183 H187 S188 L239 | L181-H185 WeakPolarHBondContact CD1-O 3.47Å; P182-H185 CarbonylContact O-C 3.56Å; P182-H185 WeakPolarHBondContact O-CA 3.46Å; P182-H185 PolarHBondContact O-N 3.38Å; D183-H185 PolarHBondContact O-N 3.36Å; D183-H185 VanDerWaalsContact O-N 3.14Å; H185-H187 PolarHBondContact O-N 3.14Å; H185-S188 WeakPolarHBondContact O-CB 3.14Å; H185-S188 PolarHBondContact O-N 3.1Å; H185-S188 PolarHBondContact O-OG 2.98Å; H185-L239 HydrophobicContact CB-CD2 3.89Å; H185-L239 PolarHBondContact CE1-O 3.19Å; H185-L239 PolarHBondContact ND1-O 2.9Å |
| 186 | A | 92.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -19.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S121 F149 P182 D183 S188 R189 | S121-A186 PolarHBondContact OG-O 3.31Å; F149-A186 HydrophobicContact CB-CB 3.51Å; F149-A186 HydrophobicContact CD1-CB 3.48Å; F149-A186 VanDerWaalsContact CD1-CB 3.48Å; F149-A186 HydrophobicContact CD2-CB 4.01Å; F149-A186 HydrophobicContact CE1-CB 4.1Å; F149-A186 HydrophobicContact CG-CB 3.41Å; F149-A186 VanDerWaalsContact CG-CB 3.41Å; P182-A186 PolarHBondContact O-N 2.89Å; P182-A186 VanDerWaalsContact O-N 3.08Å; D183-A186 PolarHBondContact O-N 2.94Å; A186-S188 VanDerWaalsContact C-N 3.28Å; A186-S188 PolarHBondContact O-N 3.44Å; A186-R189 PolarHBondContact O-NH2 2.78Å |
| 187 | H | 95.3 | Very high | 93.6 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 10% | 0.102 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -22.9 | 170.8 | 66 | -81 | 0 | 0 | 0 | 113.3 | H115 F149 K184 H185 R189 D190 C191 S243 | H115-H187 HydrophobicContact CB-CB 4.31Å; F149-H187 HydrophobicContact CZ-CB 4.32Å; K184-H187 PolarHBondContact O-CE1 3.26Å; K184-H187 PolarHBondContact O-ND1 2.91Å; K184-H187 VanDerWaalsContact O-ND1 3.14Å; H185-H187 PolarHBondContact O-N 3.14Å; H187-R189 PolarHBondContact O-N 2.94Å; H187-D190 PolarHBondContact O-N 3.3Å; H187-C191 VanDerWaalsContact CD2-SG 3.56Å; H187-C191 PolarHBondContact O-N 2.9Å; H187-S243 PolarHBondContact NE2-N 3.29Å |
| 188 | S | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.4 | -22.2 | -171.4 | -63.8 | 0 | 0 | 0 | 0 | 115.5 | H185 A186 F192 P238 R241 | H185-S188 WeakPolarHBondContact O-CB 3.14Å; H185-S188 PolarHBondContact O-N 3.1Å; H185-S188 PolarHBondContact O-OG 2.98Å; A186-S188 VanDerWaalsContact C-N 3.28Å; A186-S188 PolarHBondContact O-N 3.44Å; S188-F192 PolarHBondContact O-N 2.77Å; S188-P238 VanDerWaalsContact CB-O 3.22Å; S188-P238 WeakPolarHBondContact CB-O 3.39Å; S188-P238 PolarHBondContact OG-O 3.26Å; S188-R241 WeakPolarHBondContact O-CD 3.43Å; S188-R241 PolarHBondContact O-NH1 3.43Å |
| 189 | R | 94.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70.7 | -44.8 | 173.5 | -67 | 174.5 | -66.2 | -136.3 | -6.8 | 112.1 | S121 A152 P170 E173 L181 A186 H187 F192 S193 | S121-R189 PolarHBondContact OG-NH2 2.88Å; A152-R189 VanDerWaalsContact CB-CZ 3.48Å; A152-R189 VanDerWaalsContact CB-NH1 3.29Å; A152-R189 PolarHBondContact O-NH1 2.85Å; P170-R189 HydrophobicContact CG-CB 3.91Å; P170-R189 HydrophobicContact CG-CG 4.12Å; E173-R189 VanDerWaalsContact OE1-CD 3.25Å; E173-R189 WeakPolarHBondContact OE1-CD 3.34Å; E173-R189 WeakPolarHBondContact OE1-CG 3.47Å; L181-R189 HydrophobicContact CD1-CG 4.02Å; A186-R189 PolarHBondContact O-NH2 2.78Å; H187-R189 PolarHBondContact O-N 2.94Å; R189-F192 PolarHBondContact O-N 3.04Å; R189-S193 WeakPolarHBondContact O-CB 3.49Å; R189-S193 PolarHBondContact O-N 3.31Å; R189-S193 PolarHBondContact O-OG 2.85Å |
| 190 | D | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -71.8 | -34.3 | 177.5 | -67.5 | -30.9 | 0 | 0 | 0 | 110.8 | H115 S121 H122 N123 V125 H187 F192 S193 F194 | H115-D190 IonicContact CD2-OD2 3.48Å; H115-D190 IonicContact CE1-OD2 2.72Å; H115-D190 WeakPolarHBondContact NE2-CB 3.32Å; H115-D190 IonicContact NE2-OD2 3.33Å; H115-D190 PolarHBondContact NE2-OD2 3.29Å; S121-D190 WeakPolarHBondContact CA-OD2 3.4Å; H122-D190 PolarHBondContact N-OD1 2.66Å; H122-D190 PolarHBondContact N-OD2 3.05Å; N123-D190 WeakPolarHBondContact CA-OD1 3.48Å; N123-D190 PolarHBondContact N-OD1 3.5Å; V125-D190 HydrophobicContact CG2-CB 4.19Å; H187-D190 PolarHBondContact O-N 3.3Å; D190-F192 PolarHBondContact O-N 3.18Å; D190-S193 PolarHBondContact O-N 2.9Å; D190-F194 VanDerWaalsContact O-CB 3.22Å; D190-F194 WeakPolarHBondContact O-CB 3.37Å; D190-F194 PolarHBondContact O-N 3.21Å |
| 191 | C | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -53.4 | -52.7 | 170.1 | -73.9 | 0 | 0 | 0 | 0 | 111.8 | H187 G195 L233 P242 | H187-C191 VanDerWaalsContact CD2-SG 3.56Å; H187-C191 PolarHBondContact O-N 2.9Å; C191-G195 PolarHBondContact O-N 2.77Å; C191-L233 HydrophobicContact CB-CB 4.49Å; C191-L233 HydrophobicContact CB-CD2 3.94Å; C191-P242 PolarHBondContact SG-O 3.04Å |
| 192 | F | 97.6 | Very high | 95.3 | Very high | 21 Ų | 21 | 29.5 Ų | 29.5 | 9% | 0.092 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.4 | -44.9 | 178.2 | -177.3 | -84.9 | 0 | 0 | 0 | 111.7 | T168 P170 P171 S188 R189 D190 F194 G195 M196 L233 L234 | T168-F192 WeakPolarHBondContact O-CD1 3.38Å; P170-F192 HydrophobicContact CB-CB 4.36Å; P170-F192 HydrophobicContact CB-CD1 4.02Å; P170-F192 HydrophobicContact CB-CG 4.21Å; P170-F192 HydrophobicContact CG-CB 4.2Å; P170-F192 HydrophobicContact CG-CD1 4.05Å; P170-F192 HydrophobicContact CG-CG 4.37Å; P171-F192 HydrophobicContact CG-CE2 4.23Å; P171-F192 HydrophobicContact CG-CZ 4.5Å; S188-F192 PolarHBondContact O-N 2.77Å; R189-F192 PolarHBondContact O-N 3.04Å; D190-F192 PolarHBondContact O-N 3.18Å; F192-F194 PolarHBondContact O-N 2.86Å; F192-G195 PolarHBondContact O-N 3.27Å; F192-G195 VanDerWaalsContact O-N 3.14Å; F192-M196 HydrophobicContact CD1-CG 3.91Å; F192-M196 HydrophobicContact CE1-CG 3.38Å; F192-M196 HydrophobicContact CE1-SD 4.14Å; F192-M196 HydrophobicContact CE2-CG 4.5Å; F192-M196 HydrophobicContact CZ-CG 3.71Å; F192-M196 HydrophobicContact CZ-SD 3.85Å; F192-M196 WeakPolarHBondContact O-CG 3.47Å; F192-M196 PolarHBondContact O-N 2.97Å; F192-L233 WeakPolarHBondContact CA-O 3.22Å; F192-L234 HydrophobicContact CD2-CD2 4.03Å; F192-L234 HydrophobicContact CE2-CD2 3.96Å; F192-L234 HydrophobicContact CZ-CD2 4.39Å |
| 193 | S | 97.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.4 | -45 | 179.8 | -55.3 | 0 | 0 | 0 | 0 | 112 | T168 R189 D190 M196 M197 | T168-S193 PolarHBondContact O-OG 2.97Å; R189-S193 WeakPolarHBondContact O-CB 3.49Å; R189-S193 PolarHBondContact O-N 3.31Å; R189-S193 PolarHBondContact O-OG 2.85Å; D190-S193 PolarHBondContact O-N 2.9Å; S193-M196 PolarHBondContact O-N 2.87Å; S193-M197 WeakPolarHBondContact O-CB 3.49Å; S193-M197 PolarHBondContact O-N 2.75Å; S193-M197 VanDerWaalsContact O-N 3.08Å |
| 194 | F | 98.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.7 | -43.9 | 172.3 | 176.4 | -92.9 | 0 | 0 | 0 | 111.7 | I104 L107 L108 L111 V125 D190 F192 M196 M197 V198 L233 L244 L247 | I104-F194 HydrophobicContact CG2-CE2 4.29Å; I104-F194 HydrophobicContact CG2-CZ 3.77Å; L107-F194 HydrophobicContact CB-CE2 4.23Å; L108-F194 HydrophobicContact CB-CE2 4.38Å; L108-F194 HydrophobicContact CB-CZ 4.1Å; L108-F194 HydrophobicContact CD1-CE1 4.01Å; L108-F194 HydrophobicContact CD1-CZ 3.85Å; L108-F194 HydrophobicContact CG-CZ 4.5Å; L111-F194 HydrophobicContact CD1-CB 4.01Å; L111-F194 HydrophobicContact CD1-CD2 3.64Å; L111-F194 HydrophobicContact CD1-CE2 4.46Å; L111-F194 HydrophobicContact CD1-CG 4.1Å; V125-F194 HydrophobicContact CG1-CB 4.19Å; D190-F194 VanDerWaalsContact O-CB 3.22Å; D190-F194 WeakPolarHBondContact O-CB 3.37Å; D190-F194 PolarHBondContact O-N 3.21Å; F192-F194 PolarHBondContact O-N 2.86Å; F194-M196 PolarHBondContact O-N 3.2Å; F194-M197 HydrophobicContact CD2-CE 3.8Å; F194-M197 HydrophobicContact CE2-CE 4.21Å; F194-M197 PolarHBondContact O-N 2.93Å; F194-V198 HydrophobicContact CD1-CG2 4.22Å; F194-V198 HydrophobicContact CD2-CG2 4.43Å; F194-V198 HydrophobicContact CE1-CG2 3.86Å; F194-V198 HydrophobicContact CE2-CG2 4.1Å; F194-V198 HydrophobicContact CG-CG2 4.49Å; F194-V198 HydrophobicContact CZ-CG2 3.81Å; F194-V198 WeakPolarHBondContact O-CG2 3.48Å; F194-V198 PolarHBondContact O-N 2.97Å; F194-L233 HydrophobicContact CD1-CD1 3.86Å; F194-L233 HydrophobicContact CE1-CD1 4.37Å; F194-L244 HydrophobicContact CD1-CD2 3.79Å; F194-L244 HydrophobicContact CE1-CD2 4.26Å; F194-L244 HydrophobicContact CG-CD2 4.27Å; F194-L247 HydrophobicContact CE1-CD2 3.85Å |
| 195 | G | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.7 | -44 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | C191 F192 V198 E199 | C191-G195 PolarHBondContact O-N 2.77Å; F192-G195 PolarHBondContact O-N 3.27Å; F192-G195 VanDerWaalsContact O-N 3.14Å; G195-V198 PolarHBondContact O-N 2.96Å; G195-E199 WeakPolarHBondContact O-CB 3.39Å; G195-E199 PolarHBondContact O-N 3.38Å |
| 196 | M | 96.7 | Very high | 95.1 | Very high | 45 Ų | 45 | 19.1 Ų | 19.1 | 22% | 0.222 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.6 | -41.2 | 177.8 | -73.9 | -57.7 | -52.2 | 0 | 0 | 111.7 | T168 F192 S193 F194 E199 T200 L234 | T168-M196 HydrophobicContact CG2-CB 4.12Å; F192-M196 HydrophobicContact CD1-CG 3.91Å; F192-M196 HydrophobicContact CE1-CG 3.38Å; F192-M196 HydrophobicContact CE1-SD 4.14Å; F192-M196 HydrophobicContact CE2-CG 4.5Å; F192-M196 HydrophobicContact CZ-CG 3.71Å; F192-M196 HydrophobicContact CZ-SD 3.85Å; F192-M196 WeakPolarHBondContact O-CG 3.47Å; F192-M196 PolarHBondContact O-N 2.97Å; S193-M196 PolarHBondContact O-N 2.87Å; F194-M196 PolarHBondContact O-N 3.2Å; M196-E199 PolarHBondContact O-N 3.25Å; M196-T200 WeakPolarHBondContact O-CB 3.36Å; M196-T200 PolarHBondContact O-N 2.69Å; M196-T200 PolarHBondContact O-OG1 3.15Å; M196-L234 HydrophobicContact CB-CD2 4.47Å; M196-L234 HydrophobicContact CG-CD2 3.71Å; M196-L234 HydrophobicContact SD-CD2 3.58Å; M196-L234 VanDerWaalsContact SD-CD2 3.58Å |
| 197 | M | 95.9 | Very high | 95 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.015 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.7 | -44.5 | 176.1 | -176.6 | -170.8 | 73.3 | 0 | 0 | 111.5 | L107 V125 M127 V130 S193 F194 T200 L201 | L107-M197 HydrophobicContact CD1-CE 3.55Å; L107-M197 HydrophobicContact CD1-SD 4.28Å; V125-M197 HydrophobicContact CG1-CE 4.07Å; V125-M197 HydrophobicContact CG1-SD 3.94Å; M127-M197 HydrophobicContact CG-CG 4.28Å; M127-M197 HydrophobicContact SD-CG 3.43Å; M127-M197 WeakPolarHBondContact SD-CG 3.41Å; M127-M197 HydrophobicContact SD-SD 4.17Å; V130-M197 HydrophobicContact CG2-SD 4.22Å; S193-M197 WeakPolarHBondContact O-CB 3.49Å; S193-M197 PolarHBondContact O-N 2.75Å; S193-M197 VanDerWaalsContact O-N 3.08Å; F194-M197 HydrophobicContact CD2-CE 3.8Å; F194-M197 HydrophobicContact CE2-CE 4.21Å; F194-M197 PolarHBondContact O-N 2.93Å; M197-T200 WeakPolarHBondContact O-CB 3.45Å; M197-T200 PolarHBondContact O-N 2.71Å; M197-L201 PolarHBondContact O-N 2.76Å |
| 198 | V | 96.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -71.6 | -39.2 | 176.9 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | I104 F194 G195 T200 L201 I202 L225 L229 | I104-V198 HydrophobicContact CD1-CG1 4.25Å; I104-V198 HydrophobicContact CG1-CG2 4.4Å; I104-V198 HydrophobicContact CG2-CG1 4.48Å; I104-V198 HydrophobicContact CG2-CG2 3.77Å; F194-V198 HydrophobicContact CD1-CG2 4.22Å; F194-V198 HydrophobicContact CD2-CG2 4.43Å; F194-V198 HydrophobicContact CE1-CG2 3.86Å; F194-V198 HydrophobicContact CE2-CG2 4.1Å; F194-V198 HydrophobicContact CG-CG2 4.49Å; F194-V198 HydrophobicContact CZ-CG2 3.81Å; F194-V198 WeakPolarHBondContact O-CG2 3.48Å; F194-V198 PolarHBondContact O-N 2.97Å; G195-V198 PolarHBondContact O-N 2.96Å; V198-T200 PolarHBondContact O-N 3.09Å; V198-L201 WeakPolarHBondContact O-CB 3.38Å; V198-L201 PolarHBondContact O-N 3.04Å; V198-I202 HydrophobicContact CG1-CD1 4.48Å; V198-I202 WeakPolarHBondContact O-CG1 3.5Å; V198-I202 PolarHBondContact O-N 3.14Å; V198-I202 VanDerWaalsContact O-N 3.1Å; V198-L225 HydrophobicContact CG1-CD2 3.85Å; V198-L229 HydrophobicContact CB-CD1 3.9Å; V198-L229 HydrophobicContact CG1-CD1 3.61Å |
| 199 | E | 95.4 | Very high | 94 | Very high | 41 Ų | 41 | 25.7 Ų | 25.7 | 19% | 0.192 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.7 | -32.7 | 173.7 | -176.7 | 166.3 | -144.8 | 0 | 0 | 112.1 | G195 M196 L201 P203 K226 Q230 L234 | G195-E199 WeakPolarHBondContact O-CB 3.39Å; G195-E199 PolarHBondContact O-N 3.38Å; M196-E199 PolarHBondContact O-N 3.25Å; E199-L201 VanDerWaalsContact C-N 3.34Å; E199-P203 VanDerWaalsContact O-CD 3.29Å; E199-P203 WeakPolarHBondContact O-CD 3.34Å; E199-K226 VanDerWaalsContact OE1-CE 3.25Å; E199-K226 WeakPolarHBondContact OE1-CE 3.43Å; E199-K226 IonicContact OE1-NZ 2.93Å; E199-K226 PolarHBondContact OE1-NZ 3.13Å; E199-Q230 PolarHBondContact OE1-NE2 3.38Å; E199-L234 HydrophobicContact CB-CD1 4.37Å; E199-L234 WeakPolarHBondContact OE2-CD1 3.42Å |
| 200 | T | 94.6 | Very high | 93.4 | Very high | 90 Ų | 90 | 30.9 Ų | 30.9 | 55% | 0.552 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -68.7 | -30.1 | 173.2 | -55 | 0 | 0 | 0 | 0 | 112.7 | M196 M197 V198 | M196-T200 WeakPolarHBondContact O-CB 3.36Å; M196-T200 PolarHBondContact O-N 2.69Å; M196-T200 PolarHBondContact O-OG1 3.15Å; M197-T200 WeakPolarHBondContact O-CB 3.45Å; M197-T200 PolarHBondContact O-N 2.71Å; V198-T200 PolarHBondContact O-N 3.09Å |
| 201 | L | 95 | Very high | 92.6 | Very high | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -80.3 | -26.2 | 177.1 | -76.5 | 170.6 | 0 | 0 | 0 | 114 | L92 L100 I104 M127 W138 M197 V198 E199 L204 L205 | L92-L201 HydrophobicContact CD2-CD2 3.73Å; L100-L201 HydrophobicContact CD2-CD2 4.43Å; I104-L201 HydrophobicContact CD1-CD1 4.16Å; I104-L201 HydrophobicContact CG1-CD1 4.11Å; M127-L201 HydrophobicContact CE-CD1 4.22Å; M127-L201 HydrophobicContact CE-CD2 3.72Å; M127-L201 HydrophobicContact CE-CG 4.17Å; M127-L201 HydrophobicContact SD-CD1 4.16Å; M127-L201 HydrophobicContact SD-CD2 4.37Å; M127-L201 HydrophobicContact SD-CG 4.19Å; W138-L201 HydrophobicContact CH2-CD1 4.04Å; W138-L201 HydrophobicContact CZ3-CD1 4.17Å; M197-L201 PolarHBondContact O-N 2.76Å; V198-L201 WeakPolarHBondContact O-CB 3.38Å; V198-L201 PolarHBondContact O-N 3.04Å; E199-L201 VanDerWaalsContact C-N 3.34Å; L201-L204 HydrophobicContact CD2-CD2 4.39Å; L201-L204 PolarHBondContact O-N 2.73Å; L201-L204 VanDerWaalsContact O-N 3.16Å; L201-L205 WeakPolarHBondContact O-CB 3.45Å; L201-L205 PolarHBondContact O-N 2.74Å |
| 202 | I | 94.4 | Very high | 91.4 | Very high | 10 Ų | 10 | 39 Ų | 39 | 5% | 0.051 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.1 | -40.3 | -175.6 | -73.6 | 170.5 | 0 | 0 | 0 | 113.9 | V198 L204 L205 N206 K226 L229 | V198-I202 HydrophobicContact CG1-CD1 4.48Å; V198-I202 WeakPolarHBondContact O-CG1 3.5Å; V198-I202 PolarHBondContact O-N 3.14Å; V198-I202 VanDerWaalsContact O-N 3.1Å; I202-L204 PolarHBondContact O-N 3.23Å; I202-L205 WeakPolarHBondContact O-CB 3.24Å; I202-L205 PolarHBondContact O-N 3.14Å; I202-N206 PolarHBondContact O-N 3.25Å; I202-N206 PolarHBondContact O-OD1 3.28Å; I202-K226 HydrophobicContact CD1-CB 3.8Å; I202-K226 HydrophobicContact CD1-CG 4.17Å; I202-K226 HydrophobicContact CG2-CD 4.49Å; I202-L229 HydrophobicContact CD1-CD1 4.21Å |
| 203 | P | 92.9 | Very high | 89.7 | Confident | 85 Ų | 85 | 46.2 Ų | 46.2 | 55% | 0.552 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -61.5 | -40.4 | 174.5 | -25.7 | 35.3 | 0 | 0 | 0 | 114.1 | E199 L207 | E199-P203 VanDerWaalsContact O-CD 3.29Å; E199-P203 WeakPolarHBondContact O-CD 3.34Å; P203-L207 PolarHBondContact O-N 3Å; P203-L207 VanDerWaalsContact O-N 3.12Å |
| 204 | L | 90.9 | Very high | 88 | Confident | 36 Ų | 36 | 53.2 Ų | 53.2 | 19% | 0.188 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.9 | -41.7 | 175.5 | 177.1 | 71.1 | 0 | 0 | 0 | 110.9 | L92 L201 I202 L207 K208 | L92-L204 HydrophobicContact CB-CD2 3.78Å; L92-L204 HydrophobicContact CD1-CD2 4.47Å; L92-L204 HydrophobicContact CD2-CD2 4.15Å; L92-L204 HydrophobicContact CG-CD2 4.35Å; L201-L204 HydrophobicContact CD2-CD2 4.39Å; L201-L204 PolarHBondContact O-N 2.73Å; L201-L204 VanDerWaalsContact O-N 3.16Å; I202-L204 PolarHBondContact O-N 3.23Å; L204-L207 PolarHBondContact O-N 3.41Å; L204-K208 HydrophobicContact CD1-CD 4.36Å; L204-K208 HydrophobicContact CG-CD 4.15Å; L204-K208 WeakPolarHBondContact O-CG 3.37Å; L204-K208 PolarHBondContact O-N 3.26Å; L204-K208 VanDerWaalsContact O-N 3.1Å |
| 205 | L | 90.7 | Very high | 86.5 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.2 | -50.4 | 176.9 | -178.3 | 63.3 | 0 | 0 | 0 | 110.9 | P97 L100 L201 I202 L207 K208 I209 V217 F252 | P97-L205 HydrophobicContact CB-CD1 3.71Å; L100-L205 HydrophobicContact CB-CD1 4.14Å; L100-L205 HydrophobicContact CD1-CB 4.48Å; L100-L205 HydrophobicContact CD1-CD1 3.91Å; L201-L205 WeakPolarHBondContact O-CB 3.45Å; L201-L205 PolarHBondContact O-N 2.74Å; I202-L205 WeakPolarHBondContact O-CB 3.24Å; I202-L205 PolarHBondContact O-N 3.14Å; L205-L207 VanDerWaalsContact C-N 3.33Å; L205-L207 PolarHBondContact O-N 3.21Å; L205-K208 PolarHBondContact O-N 2.78Å; L205-K208 VanDerWaalsContact O-N 3.16Å; L205-I209 HydrophobicContact CD1-CD1 4.27Å; L205-I209 HydrophobicContact CD1-CG1 4.49Å; L205-I209 HydrophobicContact CG-CD1 3.86Å; L205-I209 HydrophobicContact CG-CG1 4.49Å; L205-I209 VanDerWaalsContact O-CG1 3.24Å; L205-I209 WeakPolarHBondContact O-CG1 3.23Å; L205-I209 PolarHBondContact O-N 3.25Å; L205-V217 HydrophobicContact CD1-CG1 4.36Å; L205-V217 HydrophobicContact CD2-CG1 4.28Å; L205-F252 HydrophobicContact CD2-CE2 3.68Å; L205-F252 HydrophobicContact CD2-CZ 3.74Å |
| 206 | N | 90.1 | Very high | 85.3 | Confident | 33 Ų | 33 | 58.7 Ų | 58.7 | 18% | 0.176 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.6 | -39.9 | 177.2 | -81.5 | 48.6 | 0 | 0 | 0 | 112.7 | I202 K208 I209 N210 E219 S222 | I202-N206 PolarHBondContact O-N 3.25Å; I202-N206 PolarHBondContact O-OD1 3.28Å; N206-K208 PolarHBondContact O-N 2.85Å; N206-I209 PolarHBondContact O-N 3.28Å; N206-N210 PolarHBondContact O-N 3.27Å; N206-N210 PolarHBondContact O-ND2 3.36Å; N206-E219 PolarHBondContact ND2-OE1 2.72Å; N206-S222 WeakPolarHBondContact OD1-CB 3.34Å; N206-S222 PolarHBondContact OD1-OG 2.94Å |
| 207 | L | 89.6 | Confident | 84.6 | Confident | 105 Ų | 105 | 56.6 Ų | 56.6 | 55% | 0.55 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.2 | -50.5 | 174 | -178.5 | 63.2 | 0 | 0 | 0 | 111.1 | P203 L204 L205 I209 N210 D211 | P203-L207 PolarHBondContact O-N 3Å; P203-L207 VanDerWaalsContact O-N 3.12Å; L204-L207 PolarHBondContact O-N 3.41Å; L205-L207 VanDerWaalsContact C-N 3.33Å; L205-L207 PolarHBondContact O-N 3.21Å; L207-I209 VanDerWaalsContact C-N 3.31Å; L207-I209 PolarHBondContact O-N 3.03Å; L207-N210 PolarHBondContact O-N 3.11Å; L207-N210 VanDerWaalsContact O-N 3.15Å; L207-D211 PolarHBondContact O-N 2.9Å; L207-D211 VanDerWaalsContact O-N 3.16Å |
| 208 | K | 86.7 | Confident | 84.1 | Confident | 33 Ų | 33 | 58.9 Ų | 58.9 | 14% | 0.143 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.7 | -27.2 | 179.2 | -70.5 | 169.1 | 169 | -72.7 | 0 | 114.1 | L92 D93 L95 P97 L100 L204 L205 N206 S212 | L92-K208 WeakPolarHBondContact O-CE 3.39Å; L92-K208 PolarHBondContact O-NZ 3.15Å; D93-K208 VanDerWaalsContact C-NZ 3.34Å; D93-K208 PolarHBondContact O-NZ 3.12Å; L95-K208 WeakPolarHBondContact O-CD 3.43Å; L95-K208 WeakPolarHBondContact O-CE 3.21Å; L95-K208 PolarHBondContact O-NZ 3.1Å; P97-K208 HydrophobicContact CG-CB 3.91Å; L100-K208 HydrophobicContact CD1-CD 3.73Å; L204-K208 HydrophobicContact CD1-CD 4.36Å; L204-K208 HydrophobicContact CG-CD 4.15Å; L204-K208 WeakPolarHBondContact O-CG 3.37Å; L204-K208 PolarHBondContact O-N 3.26Å; L204-K208 VanDerWaalsContact O-N 3.1Å; L205-K208 PolarHBondContact O-N 2.78Å; L205-K208 VanDerWaalsContact O-N 3.16Å; N206-K208 PolarHBondContact O-N 2.85Å; K208-S212 WeakPolarHBondContact O-CB 3.36Å; K208-S212 PolarHBondContact O-N 3.23Å |
| 209 | I | 85.4 | Confident | 83.7 | Confident | 22 Ų | 22 | 63 Ų | 63 | 11% | 0.113 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.6 | -43.6 | 172 | -69.2 | 167.9 | 0 | 0 | 0 | 110.1 | P97 L205 N206 L207 D211 S212 V217 E219 | P97-I209 HydrophobicContact CB-CG1 4.04Å; P97-I209 HydrophobicContact CG-CG1 4.04Å; L205-I209 HydrophobicContact CD1-CD1 4.27Å; L205-I209 HydrophobicContact CD1-CG1 4.49Å; L205-I209 HydrophobicContact CG-CD1 3.86Å; L205-I209 HydrophobicContact CG-CG1 4.49Å; L205-I209 VanDerWaalsContact O-CG1 3.24Å; L205-I209 WeakPolarHBondContact O-CG1 3.23Å; L205-I209 PolarHBondContact O-N 3.25Å; N206-I209 PolarHBondContact O-N 3.28Å; L207-I209 VanDerWaalsContact C-N 3.31Å; L207-I209 PolarHBondContact O-N 3.03Å; I209-D211 VanDerWaalsContact C-N 3.27Å; I209-D211 PolarHBondContact O-N 3.01Å; I209-S212 PolarHBondContact O-N 3.44Å; I209-V217 HydrophobicContact CD1-CB 4.2Å; I209-V217 HydrophobicContact CD1-CG1 3.88Å; I209-V217 VanDerWaalsContact CD1-O 3.27Å; I209-V217 WeakPolarHBondContact CD1-O 3.43Å; I209-V217 HydrophobicContact CG1-CB 4.45Å; I209-V217 WeakPolarHBondContact CG1-O 3.27Å; I209-V217 WeakPolarHBondContact CG2-O 3.47Å; I209-E219 HydrophobicContact CG2-CG 4.08Å |
| 210 | N | 81.6 | Confident | 83.5 | Confident | 109 Ų | 109 | 68.4 Ų | 68.4 | 58% | 0.583 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -66.6 | -28 | 177.8 | -75.8 | -81.8 | 0 | 0 | 0 | 113 | N206 L207 S212 E219 | N206-N210 PolarHBondContact O-N 3.27Å; N206-N210 PolarHBondContact O-ND2 3.36Å; L207-N210 PolarHBondContact O-N 3.11Å; L207-N210 VanDerWaalsContact O-N 3.15Å; N210-S212 VanDerWaalsContact C-N 3.34Å; N210-E219 PolarHBondContact ND2-OE1 3Å |
| 211 | D | 80.3 | Confident | 83.3 | Confident | 129 Ų | 129 | 65.4 Ų | 65.4 | 69% | 0.69 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -14.4 | 171.5 | -68 | -34.5 | 0 | 0 | 0 | 113.4 | L207 I209 | L207-D211 PolarHBondContact O-N 2.9Å; L207-D211 VanDerWaalsContact O-N 3.16Å; I209-D211 VanDerWaalsContact C-N 3.27Å; I209-D211 PolarHBondContact O-N 3.01Å |
| 212 | S | 71.8 | Confident | 83.2 | Confident | 43 Ų | 43 | 65 Ų | 65 | 30% | 0.301 | 35% | 0.349 | S | S | . | . | trans | -108.1 | 99.7 | -174.7 | -172.4 | 0 | 0 | 0 | 0 | 112.6 | K208 I209 N210 N214 G215 | K208-S212 WeakPolarHBondContact O-CB 3.36Å; K208-S212 PolarHBondContact O-N 3.23Å; I209-S212 PolarHBondContact O-N 3.44Å; N210-S212 VanDerWaalsContact C-N 3.34Å; S212-N214 PolarHBondContact O-N 3.39Å; S212-N214 VanDerWaalsContact O-N 3.1Å; S212-G215 PolarHBondContact OG-N 2.86Å | ||
| 213 | L | 61.2 | Low | 83.2 | Confident | 172 Ų | 172 | 65.7 Ų | 65.7 | 90% | 0.901 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.1 | -179.4 | -83.8 | 149.9 | 0 | 0 | 0 | 115.5 | ||
| 214 | N | 62.2 | Low | 83.4 | Confident | 148 Ų | 148 | 63 Ų | 63 | 79% | 0.791 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.6 | 13.3 | -169 | -80.5 | 83.9 | 0 | 0 | 0 | 114.1 | S212 | S212-N214 PolarHBondContact O-N 3.39Å; S212-N214 VanDerWaalsContact O-N 3.1Å |
| 215 | G | 66.4 | Low | 83.7 | Confident | 28 Ų | 28 | 61.3 Ų | 61.3 | 29% | 0.289 | 33% | 0.332 | S | S | . | . | trans | -70.6 | 145.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E98 S212 | E98-G215 WeakPolarHBondContact OE1-CA 3.14Å; S212-G215 PolarHBondContact OG-N 2.86Å | ||
| 216 | Y | 73 | Confident | 84 | Confident | 87 Ų | 87 | 64.1 Ų | 64.1 | 34% | 0.341 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -71.7 | -33.8 | 172.7 | 139.3 | -83.6 | 0 | 0 | 0 | 111.5 | E98 S218 L221 D251 F252 R254 N255 | E98-Y216 PolarHBondContact OE1-N 3.47Å; Y216-S218 PolarHBondContact O-N 3.48Å; Y216-L221 HydrophobicContact CE1-CD2 3.95Å; Y216-L221 HydrophobicContact CE2-CD2 4.17Å; Y216-L221 WeakPolarHBondContact OH-CD2 3.4Å; Y216-D251 PolarHBondContact OH-O 3.35Å; Y216-F252 PolarHBondContact OH-O 3.38Å; Y216-R254 PolarHBondContact OH-O 3.19Å; Y216-N255 HydrophobicContact CD1-CB 3.85Å; Y216-N255 HydrophobicContact CD2-CB 4.21Å; Y216-N255 HydrophobicContact CE1-CB 3.48Å; Y216-N255 VanDerWaalsContact CE1-CB 3.48Å; Y216-N255 HydrophobicContact CE2-CB 3.82Å; Y216-N255 HydrophobicContact CG-CB 4.22Å; Y216-N255 VanDerWaalsContact CZ-CB 3.46Å |
| 217 | V | 80.8 | Confident | 84.3 | Confident | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.012 | 36% | 0.362 | C | S | . | . | trans | -73.7 | 112.1 | -175.7 | -165 | 0 | 0 | 0 | 0 | 108.4 | P97 E98 C101 L205 I209 F252 | P97-V217 HydrophobicContact CB-CB 3.96Å; P97-V217 HydrophobicContact CB-CG2 3.97Å; E98-V217 HydrophobicContact CG-CG2 4.38Å; C101-V217 HydrophobicContact CB-CG2 4.34Å; L205-V217 HydrophobicContact CD1-CG1 4.36Å; L205-V217 HydrophobicContact CD2-CG1 4.28Å; I209-V217 HydrophobicContact CD1-CB 4.2Å; I209-V217 HydrophobicContact CD1-CG1 3.88Å; I209-V217 VanDerWaalsContact CD1-O 3.27Å; I209-V217 WeakPolarHBondContact CD1-O 3.43Å; I209-V217 HydrophobicContact CG1-CB 4.45Å; I209-V217 WeakPolarHBondContact CG1-O 3.27Å; I209-V217 WeakPolarHBondContact CG2-O 3.47Å; V217-F252 HydrophobicContact CG1-CD2 4.36Å; V217-F252 HydrophobicContact CG1-CE2 3.72Å; V217-F252 HydrophobicContact CG1-CZ 4.39Å | ||
| 218 | S | 85.9 | Confident | 84.7 | Confident | 50 Ų | 50 | 67 Ų | 67 | 35% | 0.35 | 35% | 0.351 | S | S | . | . | trans | -100.6 | 160.3 | -178.5 | 76.4 | 0 | 0 | 0 | 0 | 112.9 | Y216 E220 L221 S222 | Y216-S218 PolarHBondContact O-N 3.48Å; S218-E220 PolarHBondContact O-N 3.05Å; S218-E220 PolarHBondContact OG-N 3.22Å; S218-L221 WeakPolarHBondContact O-CB 3.28Å; S218-L221 PolarHBondContact O-N 3.34Å; S218-L221 VanDerWaalsContact O-N 3.09Å; S218-L221 WeakPolarHBondContact OG-CB 3.39Å; S218-L221 PolarHBondContact OG-N 2.94Å; S218-S222 PolarHBondContact O-N 3.47Å | ||
| 219 | E | 88.3 | Confident | 85.2 | Confident | 89 Ų | 89 | 65.4 Ų | 65.4 | 42% | 0.416 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.3 | -27.4 | 173.1 | -65.9 | -153.1 | 125.5 | 0 | 0 | 113 | N206 I209 N210 L221 S222 G223 | N206-E219 PolarHBondContact ND2-OE1 2.72Å; I209-E219 HydrophobicContact CG2-CG 4.08Å; N210-E219 PolarHBondContact ND2-OE1 3Å; E219-L221 VanDerWaalsContact C-N 3.34Å; E219-S222 PolarHBondContact O-OG 3.44Å; E219-G223 WeakPolarHBondContact O-CA 3.38Å; E219-G223 PolarHBondContact O-N 3.44Å |
| 220 | E | 90.8 | Very high | 85.7 | Confident | 153 Ų | 153 | 69 Ų | 69 | 72% | 0.715 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -66.8 | -40 | 172.5 | 178.3 | 169.6 | -158.8 | 0 | 0 | 110.9 | S218 G223 S224 | S218-E220 PolarHBondContact O-N 3.05Å; S218-E220 PolarHBondContact OG-N 3.22Å; E220-G223 CarbonylContact O-C 3.38Å; E220-G223 PolarHBondContact O-N 3.14Å; E220-S224 WeakPolarHBondContact O-CB 3.25Å; E220-S224 PolarHBondContact O-N 2.97Å |
| 221 | L | 91.8 | Very high | 86.4 | Confident | 27 Ų | 27 | 67.7 Ų | 67.7 | 14% | 0.141 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -72.2 | -43.7 | -178.5 | -162.8 | 66.7 | 0 | 0 | 0 | 111.8 | Y216 S218 E219 S224 L225 H250 D251 F252 | Y216-L221 HydrophobicContact CE1-CD2 3.95Å; Y216-L221 HydrophobicContact CE2-CD2 4.17Å; Y216-L221 WeakPolarHBondContact OH-CD2 3.4Å; S218-L221 WeakPolarHBondContact O-CB 3.28Å; S218-L221 PolarHBondContact O-N 3.34Å; S218-L221 VanDerWaalsContact O-N 3.09Å; S218-L221 WeakPolarHBondContact OG-CB 3.39Å; S218-L221 PolarHBondContact OG-N 2.94Å; E219-L221 VanDerWaalsContact C-N 3.34Å; L221-S224 WeakPolarHBondContact O-CB 3.32Å; L221-S224 PolarHBondContact O-N 2.88Å; L221-L225 PolarHBondContact O-N 3.39Å; L221-H250 PolarHBondContact O-CE1 3.44Å; L221-D251 HydrophobicContact CD1-CB 4.02Å; L221-F252 HydrophobicContact CD2-CD2 4.37Å; L221-F252 HydrophobicContact CG-CB 4.21Å; L221-F252 HydrophobicContact CG-CD2 4.08Å |
| 222 | S | 92.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.4 | -37.8 | 171.8 | 71.1 | 0 | 0 | 0 | 0 | 111.6 | N206 S218 E219 S224 L225 K226 | N206-S222 WeakPolarHBondContact OD1-CB 3.34Å; N206-S222 PolarHBondContact OD1-OG 2.94Å; S218-S222 PolarHBondContact O-N 3.47Å; E219-S222 PolarHBondContact O-OG 3.44Å; S222-S224 VanDerWaalsContact C-N 3.31Å; S222-S224 PolarHBondContact O-N 3.08Å; S222-L225 PolarHBondContact O-N 2.88Å; S222-K226 WeakPolarHBondContact O-CB 3.42Å; S222-K226 PolarHBondContact O-N 3.04Å |
| 223 | G | 94.6 | Very high | 88.3 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 25% | 0.247 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.8 | -28.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E219 E220 R227 | E219-G223 WeakPolarHBondContact O-CA 3.38Å; E219-G223 PolarHBondContact O-N 3.44Å; E220-G223 CarbonylContact O-C 3.38Å; E220-G223 PolarHBondContact O-N 3.14Å; G223-R227 WeakPolarHBondContact O-CG 3.41Å; G223-R227 PolarHBondContact O-N 3.13Å; G223-R227 PolarHBondContact O-NE 3.02Å |
| 224 | S | 96.4 | Very high | 90 | Very high | 28 Ų | 28 | 53.1 Ų | 53.1 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.6 | -48 | 170.5 | -168.4 | 0 | 0 | 0 | 0 | 110.9 | E220 L221 S222 K226 R227 T228 H250 | E220-S224 WeakPolarHBondContact O-CB 3.25Å; E220-S224 PolarHBondContact O-N 2.97Å; L221-S224 WeakPolarHBondContact O-CB 3.32Å; L221-S224 PolarHBondContact O-N 2.88Å; S222-S224 VanDerWaalsContact C-N 3.31Å; S222-S224 PolarHBondContact O-N 3.08Å; S224-K226 VanDerWaalsContact C-N 3.31Å; S224-K226 PolarHBondContact O-N 3.11Å; S224-R227 VanDerWaalsContact CA-NH2 3.28Å; S224-R227 PolarHBondContact O-N 3.42Å; S224-R227 VanDerWaalsContact O-N 3.15Å; S224-T228 PolarHBondContact O-N 3.09Å; S224-T228 PolarHBondContact O-OG1 3.5Å; S224-H250 VanDerWaalsContact CB-CE1 3.43Å; S224-H250 WeakPolarHBondContact CB-CE1 3.26Å; S224-H250 VanDerWaalsContact CB-NE2 3.32Å; S224-H250 WeakPolarHBondContact CB-NE2 3.36Å; S224-H250 PolarHBondContact O-NE2 3.47Å; S224-H250 PolarHBondContact OG-NE2 3.17Å |
| 225 | L | 96.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56 | -47.1 | 174.3 | -177.9 | 66.6 | 0 | 0 | 0 | 110.7 | V198 L221 S222 R227 T228 L229 L247 H250 F252 F253 | V198-L225 HydrophobicContact CG1-CD2 3.85Å; L221-L225 PolarHBondContact O-N 3.39Å; S222-L225 PolarHBondContact O-N 2.88Å; L225-R227 VanDerWaalsContact C-N 3.32Å; L225-R227 PolarHBondContact O-N 3.44Å; L225-T228 PolarHBondContact O-N 3.25Å; L225-T228 VanDerWaalsContact O-N 3.12Å; L225-L229 HydrophobicContact CD1-CG 4.36Å; L225-L229 HydrophobicContact CG-CD1 4.07Å; L225-L229 HydrophobicContact CG-CG 4.3Å; L225-L229 VanDerWaalsContact O-CG 3.29Å; L225-L229 WeakPolarHBondContact O-CG 3.28Å; L225-L229 PolarHBondContact O-N 3.09Å; L225-L247 HydrophobicContact CD1-CD1 4.32Å; L225-L247 HydrophobicContact CD1-CD2 4.36Å; L225-H250 WeakPolarHBondContact CA-CE1 3.48Å; L225-H250 WeakPolarHBondContact CB-CE1 3.44Å; L225-H250 PolarHBondContact N-CE1 3.2Å; L225-H250 PolarHBondContact N-NE2 3.16Å; L225-F252 HydrophobicContact CB-CB 4.39Å; L225-F252 HydrophobicContact CB-CD2 4.19Å; L225-F252 HydrophobicContact CB-CG 4.31Å; L225-F252 HydrophobicContact CD1-CB 4.48Å; L225-F252 HydrophobicContact CD2-CD1 3.8Å; L225-F252 HydrophobicContact CD2-CD2 3.91Å; L225-F252 HydrophobicContact CD2-CE1 3.85Å; L225-F252 HydrophobicContact CD2-CE2 3.96Å; L225-F252 HydrophobicContact CD2-CG 3.83Å; L225-F252 HydrophobicContact CD2-CZ 3.94Å; L225-F252 HydrophobicContact CG-CG 4.46Å; L225-F253 HydrophobicContact CD1-CE2 4.15Å |
| 226 | K | 96.9 | Very high | 92.7 | Very high | 63 Ų | 63 | 51 Ų | 51 | 27% | 0.274 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -54.6 | -45.9 | 176.8 | -164.1 | 178.3 | 173.5 | 87.8 | 0 | 112.2 | E199 I202 S222 S224 L229 Q230 | E199-K226 VanDerWaalsContact OE1-CE 3.25Å; E199-K226 WeakPolarHBondContact OE1-CE 3.43Å; E199-K226 IonicContact OE1-NZ 2.93Å; E199-K226 PolarHBondContact OE1-NZ 3.13Å; I202-K226 HydrophobicContact CD1-CB 3.8Å; I202-K226 HydrophobicContact CD1-CG 4.17Å; I202-K226 HydrophobicContact CG2-CD 4.49Å; S222-K226 WeakPolarHBondContact O-CB 3.42Å; S222-K226 PolarHBondContact O-N 3.04Å; S224-K226 VanDerWaalsContact C-N 3.31Å; S224-K226 PolarHBondContact O-N 3.11Å; K226-L229 PolarHBondContact O-N 2.98Å; K226-Q230 WeakPolarHBondContact O-CB 3.24Å; K226-Q230 VanDerWaalsContact O-CG 3.3Å; K226-Q230 WeakPolarHBondContact O-CG 3.38Å; K226-Q230 PolarHBondContact O-N 3.18Å |
| 227 | R | 97.4 | Very high | 93.7 | Very high | 145 Ų | 145 | 50.4 Ų | 50.4 | 55% | 0.547 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 177 | -74.8 | 173.4 | -75 | 146.9 | -10.5 | 111.8 | G223 S224 L225 Q230 A231 | G223-R227 WeakPolarHBondContact O-CG 3.41Å; G223-R227 PolarHBondContact O-N 3.13Å; G223-R227 PolarHBondContact O-NE 3.02Å; S224-R227 VanDerWaalsContact CA-NH2 3.28Å; S224-R227 PolarHBondContact O-N 3.42Å; S224-R227 VanDerWaalsContact O-N 3.15Å; L225-R227 VanDerWaalsContact C-N 3.32Å; L225-R227 PolarHBondContact O-N 3.44Å; R227-Q230 PolarHBondContact O-N 3.23Å; R227-A231 VanDerWaalsContact O-CB 3.28Å; R227-A231 WeakPolarHBondContact O-CB 3.23Å; R227-A231 PolarHBondContact O-N 2.88Å |
| 228 | T | 97.2 | Very high | 94.3 | Very high | 53 Ų | 53 | 50.9 Ų | 50.9 | 33% | 0.325 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 176.7 | -59.9 | 0 | 0 | 0 | 0 | 112.4 | S224 L225 G232 L247 H250 | S224-T228 PolarHBondContact O-N 3.09Å; S224-T228 PolarHBondContact O-OG1 3.5Å; L225-T228 PolarHBondContact O-N 3.25Å; L225-T228 VanDerWaalsContact O-N 3.12Å; T228-G232 PolarHBondContact O-N 3.33Å; T228-L247 HydrophobicContact CG2-CD1 3.68Å; T228-H250 PolarHBondContact OG1-CD2 2.65Å; T228-H250 VanDerWaalsContact OG1-CD2 3.31Å; T228-H250 PolarHBondContact OG1-NE2 3.22Å |
| 229 | L | 97 | Very high | 94.7 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.8 | -48.3 | 174.1 | -66.1 | 174.1 | 0 | 0 | 0 | 111.3 | V198 I202 L225 K226 A231 G232 L233 L234 L247 | V198-L229 HydrophobicContact CB-CD1 3.9Å; V198-L229 HydrophobicContact CG1-CD1 3.61Å; I202-L229 HydrophobicContact CD1-CD1 4.21Å; L225-L229 HydrophobicContact CD1-CG 4.36Å; L225-L229 HydrophobicContact CG-CD1 4.07Å; L225-L229 HydrophobicContact CG-CG 4.3Å; L225-L229 VanDerWaalsContact O-CG 3.29Å; L225-L229 WeakPolarHBondContact O-CG 3.28Å; L225-L229 PolarHBondContact O-N 3.09Å; K226-L229 PolarHBondContact O-N 2.98Å; L229-A231 PolarHBondContact O-N 3.33Å; L229-G232 PolarHBondContact O-N 3.11Å; L229-L233 HydrophobicContact CD2-CD1 3.65Å; L229-L233 HydrophobicContact CD2-CG 4.19Å; L229-L233 PolarHBondContact O-N 2.71Å; L229-L234 HydrophobicContact CB-CD1 4.15Å; L229-L234 WeakPolarHBondContact O-CB 3.4Å; L229-L234 PolarHBondContact O-N 2.81Å; L229-L247 HydrophobicContact CD2-CD2 4.33Å |
| 230 | Q | 96.3 | Very high | 95 | Very high | 96 Ų | 96 | 51.5 Ų | 51.5 | 45% | 0.449 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.8 | -35.6 | -179.4 | -73.2 | -177.3 | -14.9 | 0 | 0 | 113.5 | E199 K226 R227 L234 | E199-Q230 PolarHBondContact OE1-NE2 3.38Å; K226-Q230 WeakPolarHBondContact O-CB 3.24Å; K226-Q230 VanDerWaalsContact O-CG 3.3Å; K226-Q230 WeakPolarHBondContact O-CG 3.38Å; K226-Q230 PolarHBondContact O-N 3.18Å; R227-Q230 PolarHBondContact O-N 3.23Å; Q230-L234 HydrophobicContact CG-CD1 4.12Å |
| 231 | A | 95.9 | Very high | 95.3 | Very high | 82 Ų | 82 | 44.5 Ų | 44.5 | 68% | 0.678 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -82.7 | -16.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R227 L229 T235 | R227-A231 VanDerWaalsContact O-CB 3.28Å; R227-A231 WeakPolarHBondContact O-CB 3.23Å; R227-A231 PolarHBondContact O-N 2.88Å; L229-A231 PolarHBondContact O-N 3.33Å; A231-T235 WeakPolarHBondContact O-CG2 3.43Å |
| 232 | G | 96.1 | Very high | 95.5 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 12% | 0.124 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | -74 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T228 L229 T235 | T228-G232 PolarHBondContact O-N 3.33Å; L229-G232 PolarHBondContact O-N 3.11Å; G232-T235 PolarHBondContact O-OG1 3.5Å |
| 233 | L | 96.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -25.4 | -171 | -54.7 | -171.2 | 0 | 0 | 0 | 113.7 | C191 F192 F194 L229 R241 P242 L244 L247 | C191-L233 HydrophobicContact CB-CB 4.49Å; C191-L233 HydrophobicContact CB-CD2 3.94Å; F192-L233 WeakPolarHBondContact CA-O 3.22Å; F194-L233 HydrophobicContact CD1-CD1 3.86Å; F194-L233 HydrophobicContact CE1-CD1 4.37Å; L229-L233 HydrophobicContact CD2-CD1 3.65Å; L229-L233 HydrophobicContact CD2-CG 4.19Å; L229-L233 PolarHBondContact O-N 2.71Å; L233-R241 VanDerWaalsContact O-CD 3.25Å; L233-R241 WeakPolarHBondContact O-CD 3.36Å; L233-R241 PolarHBondContact O-NE 3.42Å; L233-P242 HydrophobicContact CD2-CG 3.93Å; L233-L244 HydrophobicContact CD1-CD2 3.61Å; L233-L244 HydrophobicContact CD2-CD2 4.21Å; L233-L247 HydrophobicContact CD1-CD2 4.48Å |
| 234 | L | 96.4 | Very high | 95.7 | Very high | 24 Ų | 24 | 45.9 Ų | 45.9 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 7.8 | -174.7 | -64.8 | 175.5 | 0 | 0 | 0 | 114.1 | F192 M196 E199 L229 Q230 | F192-L234 HydrophobicContact CD2-CD2 4.03Å; F192-L234 HydrophobicContact CE2-CD2 3.96Å; F192-L234 HydrophobicContact CZ-CD2 4.39Å; M196-L234 HydrophobicContact CB-CD2 4.47Å; M196-L234 HydrophobicContact CG-CD2 3.71Å; M196-L234 HydrophobicContact SD-CD2 3.58Å; M196-L234 VanDerWaalsContact SD-CD2 3.58Å; E199-L234 HydrophobicContact CB-CD1 4.37Å; E199-L234 WeakPolarHBondContact OE2-CD1 3.42Å; L229-L234 HydrophobicContact CB-CD1 4.15Å; L229-L234 WeakPolarHBondContact O-CB 3.4Å; L229-L234 PolarHBondContact O-N 2.81Å; Q230-L234 HydrophobicContact CG-CD1 4.12Å |
| 235 | T | 94.8 | Very high | 95.7 | Very high | 32 Ų | 32 | 46.2 Ų | 46.2 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | trans | -65.1 | 147.8 | 178 | 59.4 | 0 | 0 | 0 | 0 | 111.5 | A231 G232 D237 S240 R241 | A231-T235 WeakPolarHBondContact O-CG2 3.43Å; G232-T235 PolarHBondContact O-OG1 3.5Å; T235-D237 VanDerWaalsContact C-N 3.3Å; T235-D237 PolarHBondContact O-N 3.05Å; T235-D237 PolarHBondContact OG1-O 3.31Å; T235-S240 WeakPolarHBondContact CB-OG 3.34Å; T235-S240 PolarHBondContact OG1-OG 3.06Å; T235-R241 VanDerWaalsContact O-CZ 3.3Å; T235-R241 PolarHBondContact O-NE 3.29Å; T235-R241 PolarHBondContact O-NH2 2.84Å; T235-R241 VanDerWaalsContact OG1-CG 3.31Å; T235-R241 WeakPolarHBondContact OG1-CG 3.43Å | ||
| 236 | S | 91.4 | Very high | 95.7 | Very high | 99 Ų | 99 | 49.3 Ų | 49.3 | 69% | 0.692 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -70.4 | -23.6 | -178.7 | -48.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 237 | D | 93.4 | Very high | 95.6 | Very high | 74 Ų | 74 | 46.5 Ų | 46.5 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | trans | -91.2 | 114.5 | 175.4 | 167.7 | 34.9 | 0 | 0 | 0 | 110.9 | T235 L239 S240 | T235-D237 VanDerWaalsContact C-N 3.3Å; T235-D237 PolarHBondContact O-N 3.05Å; T235-D237 PolarHBondContact OG1-O 3.31Å; D237-L239 PolarHBondContact O-N 3.13Å; D237-L239 WeakPolarHBondContact OD1-CB 3.5Å; D237-L239 PolarHBondContact OD1-N 3.49Å; D237-S240 PolarHBondContact O-N 2.88Å; D237-S240 PolarHBondContact O-OG 2.82Å; D237-S240 WeakPolarHBondContact OD2-CB 3.28Å; D237-S240 PolarHBondContact OD2-N 3.39Å | ||
| 238 | P | 94.3 | Very high | 95.4 | Very high | 13 Ų | 13 | 42.1 Ų | 42.1 | 8% | 0.084 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -20.1 | 177.4 | 28.6 | -36.9 | 0 | 0 | 0 | 114 | E172 L181 S188 | E172-P238 HydrophobicContact CB-CG 4.25Å; E172-P238 HydrophobicContact CG-CB 4.3Å; E172-P238 HydrophobicContact CG-CG 3.96Å; L181-P238 HydrophobicContact CD1-CB 3.97Å; L181-P238 HydrophobicContact CD2-CB 4Å; L181-P238 HydrophobicContact CD2-CG 3.7Å; S188-P238 VanDerWaalsContact CB-O 3.22Å; S188-P238 WeakPolarHBondContact CB-O 3.39Å; S188-P238 PolarHBondContact OG-O 3.26Å |
| 239 | L | 94.7 | Very high | 95.2 | Very high | 89 Ų | 89 | 43.9 Ų | 43.9 | 47% | 0.466 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -29 | 178.1 | -55.6 | -178.3 | 0 | 0 | 0 | 112 | H185 D237 | H185-L239 HydrophobicContact CB-CD2 3.89Å; H185-L239 PolarHBondContact CE1-O 3.19Å; H185-L239 PolarHBondContact ND1-O 2.9Å; D237-L239 PolarHBondContact O-N 3.13Å; D237-L239 WeakPolarHBondContact OD1-CB 3.5Å; D237-L239 PolarHBondContact OD1-N 3.49Å |
| 240 | S | 94.4 | Very high | 95.2 | Very high | 63 Ų | 63 | 44.8 Ų | 44.8 | 44% | 0.441 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -19.7 | 174.5 | 72.5 | 0 | 0 | 0 | 0 | 115 | T235 D237 | T235-S240 WeakPolarHBondContact CB-OG 3.34Å; T235-S240 PolarHBondContact OG1-OG 3.06Å; D237-S240 PolarHBondContact O-N 2.88Å; D237-S240 PolarHBondContact O-OG 2.82Å; D237-S240 WeakPolarHBondContact OD2-CB 3.28Å; D237-S240 PolarHBondContact OD2-N 3.39Å |
| 241 | R | 96.4 | Very high | 95 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 130.1 | -175.6 | -62.9 | -177.3 | -164.8 | 135.2 | 14.2 | 110.8 | E172 S188 L233 T235 | E172-R241 IonicContact OE1-CZ 3.6Å; E172-R241 IonicContact OE1-NH1 3.58Å; E172-R241 PolarHBondContact OE1-NH1 3.3Å; E172-R241 IonicContact OE1-NH2 3.62Å; E172-R241 IonicContact OE2-CZ 2.73Å; E172-R241 IonicContact OE2-NH1 3.53Å; E172-R241 PolarHBondContact OE2-NH1 3.21Å; E172-R241 IonicContact OE2-NH2 2.64Å; E172-R241 PolarHBondContact OE2-NH2 2.93Å; S188-R241 WeakPolarHBondContact O-CD 3.43Å; S188-R241 PolarHBondContact O-NH1 3.43Å; L233-R241 VanDerWaalsContact O-CD 3.25Å; L233-R241 WeakPolarHBondContact O-CD 3.36Å; L233-R241 PolarHBondContact O-NE 3.42Å; T235-R241 VanDerWaalsContact O-CZ 3.3Å; T235-R241 PolarHBondContact O-NE 3.29Å; T235-R241 PolarHBondContact O-NH2 2.84Å; T235-R241 VanDerWaalsContact OG1-CG 3.31Å; T235-R241 WeakPolarHBondContact OG1-CG 3.43Å |
| 242 | P | 95.7 | Very high | 94.9 | Very high | 45 Ų | 45 | 40.2 Ų | 40.2 | 29% | 0.292 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -76.4 | 165.7 | 176.8 | 32.4 | -35.8 | 0 | 0 | 0 | 112.1 | C191 L233 | C191-P242 PolarHBondContact SG-O 3.04Å; L233-P242 HydrophobicContact CD2-CG 3.93Å |
| 243 | S | 96 | Very high | 94.8 | Very high | 35 Ų | 35 | 40.1 Ų | 40.1 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 143.7 | 166.8 | -177.4 | 0 | 0 | 0 | 0 | 110.8 | H187 S245 S246 | H187-S243 PolarHBondContact NE2-N 3.29Å; S243-S245 PolarHBondContact O-N 2.99Å; S243-S245 VanDerWaalsContact O-N 3.1Å; S243-S245 PolarHBondContact OG-N 2.83Å; S243-S245 PolarHBondContact OG-OG 2.87Å; S243-S246 WeakPolarHBondContact O-CB 3.22Å; S243-S246 PolarHBondContact O-N 3.39Å; S243-S246 PolarHBondContact O-OG 3.1Å; S243-S246 VanDerWaalsContact O-OG 3.13Å |
| 244 | L | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -56.2 | -27.1 | 175.2 | -73.9 | 178.3 | 0 | 0 | 0 | 113.3 | L108 L111 I112 F194 L233 S246 L247 | L108-L244 HydrophobicContact CD1-CB 3.8Å; L108-L244 HydrophobicContact CD1-CD2 3.98Å; L108-L244 HydrophobicContact CD1-CG 4.31Å; L111-L244 HydrophobicContact CB-CD1 3.4Å; L111-L244 VanDerWaalsContact CB-CD1 3.4Å; L111-L244 HydrophobicContact CD1-CD1 3.77Å; L111-L244 HydrophobicContact CG-CD1 4.22Å; I112-L244 HydrophobicContact CD1-CB 4.31Å; I112-L244 HydrophobicContact CG1-CB 3.72Å; F194-L244 HydrophobicContact CD1-CD2 3.79Å; F194-L244 HydrophobicContact CE1-CD2 4.26Å; F194-L244 HydrophobicContact CG-CD2 4.27Å; L233-L244 HydrophobicContact CD1-CD2 3.61Å; L233-L244 HydrophobicContact CD2-CD2 4.21Å; L244-S246 PolarHBondContact O-N 2.93Å; L244-L247 VanDerWaalsContact O-CB 3.32Å; L244-L247 WeakPolarHBondContact O-CB 3.35Å; L244-L247 PolarHBondContact O-N 2.82Å |
| 245 | S | 96.1 | Very high | 94.1 | Very high | 36 Ų | 36 | 45.6 Ų | 45.6 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -62.8 | -20.2 | 174.8 | 40.7 | 0 | 0 | 0 | 0 | 114 | E116 S243 L247 L248 | E116-S245 WeakPolarHBondContact OE1-CB 3.44Å; E116-S245 PolarHBondContact OE1-OG 2.95Å; S243-S245 PolarHBondContact O-N 2.99Å; S243-S245 VanDerWaalsContact O-N 3.1Å; S243-S245 PolarHBondContact OG-N 2.83Å; S243-S245 PolarHBondContact OG-OG 2.87Å; S245-L247 PolarHBondContact O-N 2.62Å; S245-L248 PolarHBondContact O-N 3.33Å |
| 246 | S | 95.2 | Very high | 94 | Very high | 65 Ų | 65 | 46.4 Ų | 46.4 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -72.2 | -13.3 | 171.3 | 85 | 0 | 0 | 0 | 0 | 113.6 | S243 L244 T249 | S243-S246 WeakPolarHBondContact O-CB 3.22Å; S243-S246 PolarHBondContact O-N 3.39Å; S243-S246 PolarHBondContact O-OG 3.1Å; S243-S246 VanDerWaalsContact O-OG 3.13Å; L244-S246 PolarHBondContact O-N 2.93Å; S246-T249 PolarHBondContact O-OG1 3.03Å |
| 247 | L | 95.8 | Very high | 94 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -87.4 | -17.7 | 179.5 | -156.6 | 73.9 | 0 | 0 | 0 | 112.2 | L108 F194 L225 T228 L229 L233 L244 S245 T249 H250 F253 | L108-L247 HydrophobicContact CD1-CB 4.29Å; L108-L247 HydrophobicContact CD1-CD2 4.18Å; L108-L247 HydrophobicContact CD2-CB 4.18Å; L108-L247 HydrophobicContact CD2-CD2 4.27Å; F194-L247 HydrophobicContact CE1-CD2 3.85Å; L225-L247 HydrophobicContact CD1-CD1 4.32Å; L225-L247 HydrophobicContact CD1-CD2 4.36Å; T228-L247 HydrophobicContact CG2-CD1 3.68Å; L229-L247 HydrophobicContact CD2-CD2 4.33Å; L233-L247 HydrophobicContact CD1-CD2 4.48Å; L244-L247 VanDerWaalsContact O-CB 3.32Å; L244-L247 WeakPolarHBondContact O-CB 3.35Å; L244-L247 PolarHBondContact O-N 2.82Å; S245-L247 PolarHBondContact O-N 2.62Å; L247-T249 PolarHBondContact O-N 3.19Å; L247-H250 HydrophobicContact CD1-CB 4.47Å; L247-H250 VanDerWaalsContact O-CB 3.31Å; L247-H250 WeakPolarHBondContact O-CB 3.37Å; L247-H250 PolarHBondContact O-N 3.41Å; L247-H250 VanDerWaalsContact O-N 3.08Å; L247-F253 HydrophobicContact CD2-CE2 3.88Å; L247-F253 HydrophobicContact CD2-CZ 4.38Å; L247-F253 HydrophobicContact CG-CE2 3.92Å; L247-F253 WeakPolarHBondContact O-CD2 3.37Å |
| 248 | L | 93.6 | Very high | 93.9 | Very high | 53 Ų | 53 | 38.5 Ų | 38.5 | 28% | 0.277 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21 | 178.5 | -68.7 | 176.8 | 0 | 0 | 0 | 114 | Y105 L108 I112 S245 | Y105-L248 HydrophobicContact CD2-CD2 4.32Å; Y105-L248 HydrophobicContact CE2-CD2 3.69Å; L108-L248 HydrophobicContact CD2-CD2 3.72Å; L108-L248 HydrophobicContact CD2-CG 4.37Å; L108-L248 HydrophobicContact CG-CD2 4.11Å; I112-L248 HydrophobicContact CD1-CD1 3.71Å; I112-L248 HydrophobicContact CD1-CD2 4.02Å; I112-L248 HydrophobicContact CD1-CG 3.76Å; S245-L248 PolarHBondContact O-N 3.33Å |
| 249 | T | 93.3 | Very high | 93.8 | Very high | 90 Ų | 90 | 41.9 Ų | 41.9 | 55% | 0.552 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -4 | 178.4 | 54.6 | 0 | 0 | 0 | 0 | 113.5 | S246 L247 R254 | S246-T249 PolarHBondContact O-OG1 3.03Å; L247-T249 PolarHBondContact O-N 3.19Å; T249-R254 VanDerWaalsContact O-CZ 3.26Å; T249-R254 PolarHBondContact O-NH1 3.04Å |
| 250 | H | 95.7 | Very high | 93.8 | Very high | 21 Ų | 21 | 37.7 Ų | 37.7 | 10% | 0.097 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -71.9 | 136.4 | 177.3 | -173.4 | -86.6 | 0 | 0 | 0 | 110.4 | L221 S224 L225 T228 L247 F252 F253 | L221-H250 PolarHBondContact O-CE1 3.44Å; S224-H250 VanDerWaalsContact CB-CE1 3.43Å; S224-H250 WeakPolarHBondContact CB-CE1 3.26Å; S224-H250 VanDerWaalsContact CB-NE2 3.32Å; S224-H250 WeakPolarHBondContact CB-NE2 3.36Å; S224-H250 PolarHBondContact O-NE2 3.47Å; S224-H250 PolarHBondContact OG-NE2 3.17Å; L225-H250 WeakPolarHBondContact CA-CE1 3.48Å; L225-H250 WeakPolarHBondContact CB-CE1 3.44Å; L225-H250 PolarHBondContact N-CE1 3.2Å; L225-H250 PolarHBondContact N-NE2 3.16Å; T228-H250 PolarHBondContact OG1-CD2 2.65Å; T228-H250 VanDerWaalsContact OG1-CD2 3.31Å; T228-H250 PolarHBondContact OG1-NE2 3.22Å; L247-H250 HydrophobicContact CD1-CB 4.47Å; L247-H250 VanDerWaalsContact O-CB 3.31Å; L247-H250 WeakPolarHBondContact O-CB 3.37Å; L247-H250 PolarHBondContact O-N 3.41Å; L247-H250 VanDerWaalsContact O-N 3.08Å; H250-F252 WeakPolarHBondContact ND1-CB 3.41Å; H250-F252 PolarHBondContact ND1-N 2.62Å; H250-F252 PolarHBondContact O-N 3.21Å; H250-F253 HydrophobicContact CB-CD2 4.43Å; H250-F253 PolarHBondContact O-N 2.79Å |
| 251 | D | 93.5 | Very high | 93.7 | Very high | 82 Ų | 82 | 35 Ų | 35 | 44% | 0.439 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -63.6 | -18.7 | -168.2 | -54.3 | -58 | 0 | 0 | 0 | 113.9 | Y216 L221 F253 R254 | Y216-D251 PolarHBondContact OH-O 3.35Å; L221-D251 HydrophobicContact CD1-CB 4.02Å; D251-F253 PolarHBondContact O-N 3.08Å; D251-F253 VanDerWaalsContact O-N 3.17Å; D251-R254 PolarHBondContact O-N 3.29Å; D251-R254 WeakPolarHBondContact OD1-CD 3.45Å; D251-R254 IonicContact OD1-CZ 3.03Å; D251-R254 IonicContact OD1-NE 2.81Å; D251-R254 IonicContact OD1-NH1 2.86Å; D251-R254 PolarHBondContact OD1-NH1 3.41Å |
| 252 | F | 93.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -56.4 | -26.6 | 170.1 | -174 | -89.2 | 0 | 0 | 0 | 113.5 | C101 I104 L205 Y216 V217 L221 L225 H250 | C101-F252 HydrophobicContact CB-CE1 3.91Å; C101-F252 HydrophobicContact CB-CZ 4.03Å; C101-F252 PolarHBondContact SG-O 3.11Å; I104-F252 HydrophobicContact CD1-CE1 4.49Å; L205-F252 HydrophobicContact CD2-CE2 3.68Å; L205-F252 HydrophobicContact CD2-CZ 3.74Å; Y216-F252 PolarHBondContact OH-O 3.38Å; V217-F252 HydrophobicContact CG1-CD2 4.36Å; V217-F252 HydrophobicContact CG1-CE2 3.72Å; V217-F252 HydrophobicContact CG1-CZ 4.39Å; L221-F252 HydrophobicContact CD2-CD2 4.37Å; L221-F252 HydrophobicContact CG-CB 4.21Å; L221-F252 HydrophobicContact CG-CD2 4.08Å; L225-F252 HydrophobicContact CB-CB 4.39Å; L225-F252 HydrophobicContact CB-CD2 4.19Å; L225-F252 HydrophobicContact CB-CG 4.31Å; L225-F252 HydrophobicContact CD1-CB 4.48Å; L225-F252 HydrophobicContact CD2-CD1 3.8Å; L225-F252 HydrophobicContact CD2-CD2 3.91Å; L225-F252 HydrophobicContact CD2-CE1 3.85Å; L225-F252 HydrophobicContact CD2-CE2 3.96Å; L225-F252 HydrophobicContact CD2-CG 3.83Å; L225-F252 HydrophobicContact CD2-CZ 3.94Å; L225-F252 HydrophobicContact CG-CG 4.46Å; H250-F252 WeakPolarHBondContact ND1-CB 3.41Å; H250-F252 PolarHBondContact ND1-N 2.62Å; H250-F252 PolarHBondContact O-N 3.21Å |
| 253 | F | 93.5 | Very high | 93.5 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 4% | 0.039 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -103.4 | 7.7 | 178.8 | -58 | -68.7 | 0 | 0 | 0 | 113.3 | I104 Y105 L108 L225 L247 H250 D251 L258 | I104-F253 HydrophobicContact CB-CE1 4.33Å; I104-F253 HydrophobicContact CG2-CE1 3.88Å; I104-F253 HydrophobicContact CG2-CZ 3.77Å; Y105-F253 HydrophobicContact CD2-CB 3.89Å; Y105-F253 AromaticContact CD2-CD1 3.59Å; Y105-F253 HydrophobicContact CD2-CD1 3.59Å; Y105-F253 HydrophobicContact CD2-CE1 4.37Å; Y105-F253 AromaticContact CD2-CG 3.91Å; Y105-F253 HydrophobicContact CD2-CG 3.91Å; Y105-F253 HydrophobicContact CE2-CB 4.17Å; Y105-F253 HydrophobicContact CG-CD1 4.2Å; L108-F253 HydrophobicContact CD2-CD2 4.3Å; L108-F253 HydrophobicContact CD2-CE2 4.01Å; L108-F253 HydrophobicContact CD2-CZ 4.11Å; L225-F253 HydrophobicContact CD1-CE2 4.15Å; L247-F253 HydrophobicContact CD2-CE2 3.88Å; L247-F253 HydrophobicContact CD2-CZ 4.38Å; L247-F253 HydrophobicContact CG-CE2 3.92Å; L247-F253 WeakPolarHBondContact O-CD2 3.37Å; H250-F253 HydrophobicContact CB-CD2 4.43Å; H250-F253 PolarHBondContact O-N 2.79Å; D251-F253 PolarHBondContact O-N 3.08Å; D251-F253 VanDerWaalsContact O-N 3.17Å; F253-L258 HydrophobicContact CB-CD1 4.31Å; F253-L258 HydrophobicContact CD1-CD1 4.36Å; F253-L258 WeakPolarHBondContact O-CD1 3.34Å |
| 254 | R | 89.9 | Confident | 93.4 | Very high | 128 Ų | 128 | 35.6 Ų | 35.6 | 48% | 0.483 | 19% | 0.186 | S | C | . | . | trans | -104.5 | 93.9 | 174.7 | -70.5 | 175.4 | 166.3 | 159.6 | -6.3 | 109.4 | Y216 T249 D251 | Y216-R254 PolarHBondContact OH-O 3.19Å; T249-R254 VanDerWaalsContact O-CZ 3.26Å; T249-R254 PolarHBondContact O-NH1 3.04Å; D251-R254 PolarHBondContact O-N 3.29Å; D251-R254 WeakPolarHBondContact OD1-CD 3.45Å; D251-R254 IonicContact OD1-CZ 3.03Å; D251-R254 IonicContact OD1-NE 2.81Å; D251-R254 IonicContact OD1-NH1 2.86Å; D251-R254 PolarHBondContact OD1-NH1 3.41Å | ||
| 255 | N | 88.9 | Confident | 93.1 | Very high | 14 Ų | 14 | 41 Ų | 41 | 8% | 0.075 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -149.4 | 157.5 | 178.2 | 56.6 | 73.2 | 0 | 0 | 0 | 112.3 | C101 Y216 F257 L258 E259 | C101-N255 PolarHBondContact SG-ND2 3.47Å; Y216-N255 HydrophobicContact CD1-CB 3.85Å; Y216-N255 HydrophobicContact CD2-CB 4.21Å; Y216-N255 HydrophobicContact CE1-CB 3.48Å; Y216-N255 VanDerWaalsContact CE1-CB 3.48Å; Y216-N255 HydrophobicContact CE2-CB 3.82Å; Y216-N255 HydrophobicContact CG-CB 4.22Å; Y216-N255 VanDerWaalsContact CZ-CB 3.46Å; N255-F257 VanDerWaalsContact C-N 3.27Å; N255-F257 PolarHBondContact O-N 3.09Å; N255-F257 PolarHBondContact OD1-N 3.4Å; N255-L258 PolarHBondContact O-N 3.37Å; N255-L258 WeakPolarHBondContact OD1-CB 3.5Å; N255-L258 WeakPolarHBondContact OD1-CG 3.4Å; N255-L258 PolarHBondContact OD1-N 2.98Å; N255-E259 WeakPolarHBondContact O-CB 3.43Å; N255-E259 PolarHBondContact O-N 2.9Å |
| 256 | D | 90.9 | Very high | 92.9 | Very high | 50 Ų | 50 | 41 Ų | 41 | 27% | 0.267 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -54.4 | -41.4 | -178.4 | -68.5 | -41.9 | 0 | 0 | 0 | 112.9 | E259 V260 R285 S288 L289 | D256-E259 PolarHBondContact O-N 3.32Å; D256-V260 WeakPolarHBondContact O-CB 3.41Å; D256-V260 WeakPolarHBondContact O-CG2 3.18Å; D256-V260 PolarHBondContact O-N 2.99Å; D256-R285 HydrophobicContact CB-CB 4.18Å; D256-R285 VanDerWaalsContact CB-O 3.26Å; D256-R285 WeakPolarHBondContact CB-O 3.43Å; D256-R285 IonicContact OD1-CZ 3.09Å; D256-R285 IonicContact OD1-NE 3.82Å; D256-R285 PolarHBondContact OD1-NE 3.38Å; D256-R285 IonicContact OD1-NH2 2.74Å; D256-R285 PolarHBondContact OD1-NH2 2.76Å; D256-S288 PolarHBondContact OD2-OG 2.89Å; D256-L289 HydrophobicContact CB-CD2 4.25Å |
| 257 | F | 91.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.4 | -50.6 | 178.7 | 175.8 | -96.8 | 0 | 0 | 0 | 112.4 | A102 N255 M261 L289 L293 R297 L298 | A102-F257 HydrophobicContact CB-CD1 4.06Å; A102-F257 HydrophobicContact CB-CE1 3.59Å; N255-F257 VanDerWaalsContact C-N 3.27Å; N255-F257 PolarHBondContact O-N 3.09Å; N255-F257 PolarHBondContact OD1-N 3.4Å; F257-M261 HydrophobicContact CD1-CG 4.49Å; F257-M261 HydrophobicContact CD2-CG 4.35Å; F257-M261 HydrophobicContact CE1-CG 4.02Å; F257-M261 HydrophobicContact CE2-CG 3.87Å; F257-M261 HydrophobicContact CE2-SD 4.49Å; F257-M261 HydrophobicContact CZ-CE 4.25Å; F257-M261 HydrophobicContact CZ-CG 3.69Å; F257-M261 HydrophobicContact CZ-SD 4.36Å; F257-M261 VanDerWaalsContact O-CB 3.27Å; F257-M261 WeakPolarHBondContact O-CB 3.2Å; F257-M261 WeakPolarHBondContact O-CG 3.34Å; F257-M261 PolarHBondContact O-N 2.93Å; F257-L289 HydrophobicContact CB-CD1 4.01Å; F257-L289 HydrophobicContact CB-CD2 4.03Å; F257-L289 HydrophobicContact CD2-CD1 4.4Å; F257-L293 HydrophobicContact CB-CD2 4.16Å; F257-L293 HydrophobicContact CD2-CD1 4.15Å; F257-L293 HydrophobicContact CD2-CD2 3.59Å; F257-L293 HydrophobicContact CD2-CG 3.76Å; F257-L293 HydrophobicContact CE2-CD1 3.88Å; F257-L293 HydrophobicContact CE2-CD2 4.18Å; F257-L293 HydrophobicContact CE2-CG 3.85Å; F257-L293 HydrophobicContact CG-CD2 3.84Å; F257-L293 HydrophobicContact CG-CG 4.42Å; F257-L293 HydrophobicContact CZ-CD1 4.14Å; F257-R297 HydrophobicContact CE2-CB 3.57Å; F257-R297 HydrophobicContact CE2-CG 4.29Å; F257-R297 HydrophobicContact CZ-CB 3.69Å; F257-R297 HydrophobicContact CZ-CG 4.09Å; F257-L298 HydrophobicContact CD2-CD1 4.28Å; F257-L298 HydrophobicContact CD2-CD2 3.73Å; F257-L298 HydrophobicContact CD2-CG 4Å; F257-L298 HydrophobicContact CE2-CD2 3.57Å; F257-L298 HydrophobicContact CE2-CG 3.91Å |
| 258 | L | 91.7 | Very high | 92.8 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.5 | -38.3 | 179.4 | -75.6 | -179.2 | 0 | 0 | 0 | 112.1 | A102 Y105 F253 N255 N262 | A102-L258 HydrophobicContact CB-CD2 4.21Å; Y105-L258 HydrophobicContact CD1-CD1 4.35Å; Y105-L258 HydrophobicContact CD1-CD2 3.73Å; Y105-L258 HydrophobicContact CD2-CD1 3.94Å; Y105-L258 HydrophobicContact CE1-CD2 4.26Å; Y105-L258 HydrophobicContact CE2-CD1 4.44Å; Y105-L258 HydrophobicContact CG-CD1 3.86Å; Y105-L258 HydrophobicContact CG-CD2 3.99Å; F253-L258 HydrophobicContact CB-CD1 4.31Å; F253-L258 HydrophobicContact CD1-CD1 4.36Å; F253-L258 WeakPolarHBondContact O-CD1 3.34Å; N255-L258 PolarHBondContact O-N 3.37Å; N255-L258 WeakPolarHBondContact OD1-CB 3.5Å; N255-L258 WeakPolarHBondContact OD1-CG 3.4Å; N255-L258 PolarHBondContact OD1-N 2.98Å; L258-N262 WeakPolarHBondContact O-CB 3.22Å; L258-N262 PolarHBondContact O-N 3.39Å; L258-N262 PolarHBondContact O-ND2 3.28Å |
| 259 | E | 92.3 | Very high | 92.9 | Very high | 85 Ų | 85 | 47.4 Ų | 47.4 | 40% | 0.397 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.3 | -46 | 177.3 | -75.2 | -177.5 | -143.1 | 0 | 0 | 112.3 | N255 D256 M261 N262 F263 R285 | N255-E259 WeakPolarHBondContact O-CB 3.43Å; N255-E259 PolarHBondContact O-N 2.9Å; D256-E259 PolarHBondContact O-N 3.32Å; E259-M261 PolarHBondContact O-N 3.27Å; E259-N262 PolarHBondContact O-N 2.93Å; E259-F263 WeakPolarHBondContact O-CB 3.48Å; E259-F263 PolarHBondContact O-N 2.81Å; E259-R285 VanDerWaalsContact CD-NH2 3.26Å; E259-R285 IonicContact OE1-NH2 3.14Å; E259-R285 IonicContact OE2-CZ 2.71Å; E259-R285 VanDerWaalsContact OE2-CZ 3.25Å; E259-R285 IonicContact OE2-NH1 3.53Å; E259-R285 PolarHBondContact OE2-NH1 3.47Å; E259-R285 IonicContact OE2-NH2 3.15Å; E259-R285 PolarHBondContact OE2-NH2 3.24Å |
| 260 | V | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.9 | -46.8 | 173.1 | 167.5 | 0 | 0 | 0 | 0 | 110.4 | D256 N262 F263 L264 F278 L282 R285 L298 | D256-V260 WeakPolarHBondContact O-CB 3.41Å; D256-V260 WeakPolarHBondContact O-CG2 3.18Å; D256-V260 PolarHBondContact O-N 2.99Å; V260-N262 PolarHBondContact O-N 2.69Å; V260-F263 PolarHBondContact O-N 3.34Å; V260-L264 HydrophobicContact CG1-CD1 3.81Å; V260-L264 HydrophobicContact CG1-CG 4.45Å; V260-L264 WeakPolarHBondContact O-CB 3.38Å; V260-L264 VanDerWaalsContact O-CG 3.23Å; V260-L264 WeakPolarHBondContact O-CG 3.49Å; V260-L264 PolarHBondContact O-N 2.99Å; V260-F278 HydrophobicContact CB-CZ 4.44Å; V260-F278 HydrophobicContact CG1-CZ 4.22Å; V260-F278 HydrophobicContact CG2-CE2 4.11Å; V260-F278 HydrophobicContact CG2-CZ 4.28Å; V260-L282 HydrophobicContact CB-CD1 4.4Å; V260-L282 HydrophobicContact CG1-CD1 3.89Å; V260-L282 HydrophobicContact CG2-CD1 3.56Å; V260-R285 HydrophobicContact CG2-CB 4.37Å; V260-L298 HydrophobicContact CG1-CD2 4Å |
| 261 | M | 91.9 | Very high | 93.1 | Very high | 6 Ų | 6 | 47.2 Ų | 47.2 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.1 | -38.6 | 177.2 | -76.2 | -72.2 | -83.8 | 0 | 0 | 112.7 | F257 E259 K265 L298 K301 | F257-M261 HydrophobicContact CD1-CG 4.49Å; F257-M261 HydrophobicContact CD2-CG 4.35Å; F257-M261 HydrophobicContact CE1-CG 4.02Å; F257-M261 HydrophobicContact CE2-CG 3.87Å; F257-M261 HydrophobicContact CE2-SD 4.49Å; F257-M261 HydrophobicContact CZ-CE 4.25Å; F257-M261 HydrophobicContact CZ-CG 3.69Å; F257-M261 HydrophobicContact CZ-SD 4.36Å; F257-M261 VanDerWaalsContact O-CB 3.27Å; F257-M261 WeakPolarHBondContact O-CB 3.2Å; F257-M261 WeakPolarHBondContact O-CG 3.34Å; F257-M261 PolarHBondContact O-N 2.93Å; E259-M261 PolarHBondContact O-N 3.27Å; M261-K265 WeakPolarHBondContact O-CB 3.37Å; M261-K265 WeakPolarHBondContact O-CG 3.29Å; M261-K265 PolarHBondContact O-N 2.85Å; M261-L298 HydrophobicContact CG-CD2 3.73Å; M261-L298 HydrophobicContact SD-CD2 3.74Å; M261-K301 HydrophobicContact CE-CG 4.38Å; M261-K301 HydrophobicContact SD-CG 3.95Å |
| 262 | N | 92.3 | Very high | 93.2 | Very high | 46 Ų | 46 | 49.3 Ų | 49.3 | 25% | 0.246 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -76 | -33 | 179.6 | -72.2 | -22.8 | 0 | 0 | 0 | 112.9 | Y105 L258 E259 V260 K265 S266 | Y105-N262 PolarHBondContact OH-ND2 3.37Å; L258-N262 WeakPolarHBondContact O-CB 3.22Å; L258-N262 PolarHBondContact O-N 3.39Å; L258-N262 PolarHBondContact O-ND2 3.28Å; E259-N262 PolarHBondContact O-N 2.93Å; V260-N262 PolarHBondContact O-N 2.69Å; N262-K265 PolarHBondContact OD1-NZ 3.45Å; N262-S266 PolarHBondContact O-N 3.42Å; N262-S266 PolarHBondContact O-OG 3.28Å |
| 263 | F | 95.5 | Very high | 93.3 | Very high | 28 Ų | 28 | 56 Ų | 56 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.3 | -49.1 | 169.5 | -165.2 | -80.8 | 0 | 0 | 0 | 110.5 | E259 V260 K265 S266 L267 K270 E274 K275 F278 | E259-F263 WeakPolarHBondContact O-CB 3.48Å; E259-F263 PolarHBondContact O-N 2.81Å; V260-F263 PolarHBondContact O-N 3.34Å; F263-K265 VanDerWaalsContact C-N 3.33Å; F263-K265 PolarHBondContact O-N 3.1Å; F263-S266 CarbonylContact O-C 3.27Å; F263-S266 PolarHBondContact O-N 2.89Å; F263-S266 PolarHBondContact O-OG 2.92Å; F263-L267 HydrophobicContact CD1-CD1 4.29Å; F263-L267 HydrophobicContact CE1-CD1 3.78Å; F263-L267 PolarHBondContact O-N 3.47Å; F263-K270 HydrophobicContact CD2-CD 4.34Å; F263-K270 HydrophobicContact CD2-CG 4.46Å; F263-K270 HydrophobicContact CE1-CG 4.16Å; F263-K270 HydrophobicContact CE2-CD 3.77Å; F263-K270 HydrophobicContact CE2-CG 3.92Å; F263-K270 HydrophobicContact CZ-CB 4.09Å; F263-K270 HydrophobicContact CZ-CD 4.07Å; F263-K270 HydrophobicContact CZ-CG 3.75Å; F263-E274 HydrophobicContact CE2-CB 4.31Å; F263-E274 HydrophobicContact CZ-CB 4.32Å; F263-K275 HydrophobicContact CZ-CG 4.42Å; F263-F278 HydrophobicContact CB-CD2 4.04Å; F263-F278 HydrophobicContact CB-CE2 3.57Å; F263-F278 HydrophobicContact CB-CZ 3.86Å; F263-F278 HydrophobicContact CD1-CB 4.28Å; F263-F278 AromaticContact CD1-CD1 3.44Å; F263-F278 HydrophobicContact CD1-CD1 3.44Å; F263-F278 VanDerWaalsContact CD1-CD1 3.44Å; F263-F278 AromaticContact CD1-CD2 3.72Å; F263-F278 HydrophobicContact CD1-CD2 3.72Å; F263-F278 AromaticContact CD1-CE1 3.5Å; F263-F278 HydrophobicContact CD1-CE1 3.5Å; F263-F278 VanDerWaalsContact CD1-CE1 3.5Å; F263-F278 AromaticContact CD1-CE2 3.78Å; F263-F278 HydrophobicContact CD1-CE2 3.78Å; F263-F278 AromaticContact CD1-CG 3.54Å; F263-F278 HydrophobicContact CD1-CG 3.54Å; F263-F278 AromaticContact CD1-CZ 3.66Å; F263-F278 HydrophobicContact CD1-CZ 3.66Å; F263-F278 HydrophobicContact CD2-CB 4.35Å; F263-F278 AromaticContact CD2-CD2 3.77Å; F263-F278 HydrophobicContact CD2-CD2 3.77Å; F263-F278 HydrophobicContact CD2-CE2 4.21Å; F263-F278 HydrophobicContact CD2-CG 4.07Å; F263-F278 HydrophobicContact CE1-CB 3.75Å; F263-F278 AromaticContact CE1-CD1 3.4Å; F263-F278 HydrophobicContact CE1-CD1 3.4Å; F263-F278 VanDerWaalsContact CE1-CD1 3.4Å; F263-F278 HydrophobicContact CE1-CD2 4.09Å; F263-F278 AromaticContact CE1-CE1 3.94Å; F263-F278 HydrophobicContact CE1-CE1 3.94Å; F263-F278 AromaticContact CE1-CG 3.47Å; F263-F278 HydrophobicContact CE1-CG 3.47Å; F263-F278 VanDerWaalsContact CE1-CG 3.47Å; F263-F278 HydrophobicContact CE1-CZ 4.47Å; F263-F278 HydrophobicContact CE2-CB 3.83Å; F263-F278 HydrophobicContact CE2-CD2 4.13Å; F263-F278 HydrophobicContact CE2-CG 4.01Å; F263-F278 HydrophobicContact CG-CD1 4.17Å; F263-F278 AromaticContact CG-CD2 3.55Å; F263-F278 HydrophobicContact CG-CD2 3.55Å; F263-F278 HydrophobicContact CG-CE1 4.19Å; F263-F278 AromaticContact CG-CE2 3.59Å; F263-F278 HydrophobicContact CG-CE2 3.59Å; F263-F278 AromaticContact CG-CG 3.85Å; F263-F278 HydrophobicContact CG-CG 3.85Å; F263-F278 AromaticContact CG-CZ 3.9Å; F263-F278 HydrophobicContact CG-CZ 3.9Å; F263-F278 HydrophobicContact CZ-CB 3.5Å; F263-F278 HydrophobicContact CZ-CD1 4.11Å; F263-F278 HydrophobicContact CZ-CD2 4.28Å; F263-F278 AromaticContact CZ-CG 3.72Å; F263-F278 HydrophobicContact CZ-CG 3.72Å |
| 264 | L | 94.4 | Very high | 93.5 | Very high | 24 Ų | 24 | 59.1 Ų | 59.1 | 13% | 0.126 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -35.5 | 178.3 | -68.3 | 171.4 | 0 | 0 | 0 | 113 | V260 S266 F278 K301 L302 V307 | V260-L264 HydrophobicContact CG1-CD1 3.81Å; V260-L264 HydrophobicContact CG1-CG 4.45Å; V260-L264 WeakPolarHBondContact O-CB 3.38Å; V260-L264 VanDerWaalsContact O-CG 3.23Å; V260-L264 WeakPolarHBondContact O-CG 3.49Å; V260-L264 PolarHBondContact O-N 2.99Å; L264-S266 PolarHBondContact O-N 3.47Å; L264-F278 HydrophobicContact CD2-CE1 4.27Å; L264-F278 HydrophobicContact CG-CZ 4.41Å; L264-K301 HydrophobicContact CD1-CB 4.04Å; L264-L302 HydrophobicContact CD1-CD2 3.69Å; L264-L302 HydrophobicContact CD1-CG 4.05Å; L264-L302 HydrophobicContact CD2-CD2 4.09Å; L264-V307 HydrophobicContact CD2-CG2 4.1Å |
| 265 | K | 90.8 | Very high | 93.8 | Very high | 113 Ų | 113 | 54.7 Ų | 54.7 | 49% | 0.491 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61 | -24.1 | 171.4 | -76.4 | 169 | -159.6 | 168.2 | 0 | 113.6 | M261 N262 F263 | M261-K265 WeakPolarHBondContact O-CB 3.37Å; M261-K265 WeakPolarHBondContact O-CG 3.29Å; M261-K265 PolarHBondContact O-N 2.85Å; N262-K265 PolarHBondContact OD1-NZ 3.45Å; F263-K265 VanDerWaalsContact C-N 3.33Å; F263-K265 PolarHBondContact O-N 3.1Å |
| 266 | S | 92.9 | Very high | 94.2 | Very high | 36 Ų | 36 | 56.2 Ų | 56.2 | 25% | 0.252 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -118.2 | 9.3 | -174.4 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | N262 F263 L264 T268 L269 | N262-S266 PolarHBondContact O-N 3.42Å; N262-S266 PolarHBondContact O-OG 3.28Å; F263-S266 CarbonylContact O-C 3.27Å; F263-S266 PolarHBondContact O-N 2.89Å; F263-S266 PolarHBondContact O-OG 2.92Å; L264-S266 PolarHBondContact O-N 3.47Å; S266-T268 VanDerWaalsContact C-N 3.25Å; S266-T268 PolarHBondContact O-N 2.87Å; S266-L269 WeakPolarHBondContact O-CA 3.5Å; S266-L269 WeakPolarHBondContact O-CB 3.48Å; S266-L269 PolarHBondContact O-N 3Å |
| 267 | L | 94.6 | Very high | 94.5 | Very high | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -52.6 | -35.3 | -170.2 | 179.7 | 63.5 | 0 | 0 | 0 | 114.7 | F263 L269 K270 K275 F279 M306 V307 | F263-L267 HydrophobicContact CD1-CD1 4.29Å; F263-L267 HydrophobicContact CE1-CD1 3.78Å; F263-L267 PolarHBondContact O-N 3.47Å; L267-L269 VanDerWaalsContact C-N 3.26Å; L267-L269 PolarHBondContact O-N 3.19Å; L267-K270 PolarHBondContact O-N 2.86Å; L267-K275 HydrophobicContact CD1-CG 4.08Å; L267-K275 WeakPolarHBondContact O-CE 3.43Å; L267-F279 HydrophobicContact CD1-CE2 3.83Å; L267-F279 HydrophobicContact CD1-CZ 3.87Å; L267-F279 HydrophobicContact CD2-CZ 4.34Å; L267-M306 HydrophobicContact CD2-CB 4.14Å; L267-V307 HydrophobicContact CD2-CG2 3.82Å |
| 268 | T | 92.8 | Very high | 94.8 | Very high | 99 Ų | 99 | 60.7 Ų | 60.7 | 61% | 0.607 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -75.7 | -12 | 178.9 | 52.5 | 0 | 0 | 0 | 0 | 114.2 | S266 M306 | S266-T268 VanDerWaalsContact C-N 3.25Å; S266-T268 PolarHBondContact O-N 2.87Å; T268-M306 HydrophobicContact CG2-CE 4.22Å |
| 269 | L | 95.7 | Very high | 95 | Very high | 149 Ų | 149 | 60.6 Ų | 60.6 | 78% | 0.78 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -104.4 | 3.2 | 178.7 | -52.8 | 177.7 | 0 | 0 | 0 | 112.3 | S266 L267 | S266-L269 WeakPolarHBondContact O-CA 3.5Å; S266-L269 WeakPolarHBondContact O-CB 3.48Å; S266-L269 PolarHBondContact O-N 3Å; L267-L269 VanDerWaalsContact C-N 3.26Å; L267-L269 PolarHBondContact O-N 3.19Å |
| 270 | K | 96.5 | Very high | 95.2 | Very high | 62 Ų | 62 | 62.3 Ų | 62.3 | 27% | 0.27 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -93 | 142.3 | -177.7 | -72.2 | -67.8 | -174 | -175.4 | 0 | 112.1 | F263 L267 E274 K275 | F263-K270 HydrophobicContact CD2-CD 4.34Å; F263-K270 HydrophobicContact CD2-CG 4.46Å; F263-K270 HydrophobicContact CE1-CG 4.16Å; F263-K270 HydrophobicContact CE2-CD 3.77Å; F263-K270 HydrophobicContact CE2-CG 3.92Å; F263-K270 HydrophobicContact CZ-CB 4.09Å; F263-K270 HydrophobicContact CZ-CD 4.07Å; F263-K270 HydrophobicContact CZ-CG 3.75Å; L267-K270 PolarHBondContact O-N 2.86Å; K270-E274 HydrophobicContact CB-CB 4.47Å; K270-E274 HydrophobicContact CD-CB 4.27Å; K270-E274 VanDerWaalsContact CD-CD 3.41Å; K270-E274 VanDerWaalsContact CD-OE1 3.3Å; K270-E274 WeakPolarHBondContact CD-OE1 3.49Å; K270-E274 WeakPolarHBondContact CD-OE2 3.26Å; K270-E274 IonicContact NZ-OE1 3.83Å; K270-E274 PolarHBondContact NZ-OE1 3.25Å; K270-E274 IonicContact NZ-OE2 2.71Å; K270-K275 HydrophobicContact CB-CG 3.97Å; K270-K275 VanDerWaalsContact O-CE 3.27Å; K270-K275 WeakPolarHBondContact O-CE 3.43Å |
| 271 | A | 96.9 | Very high | 95.2 | Very high | 45 Ų | 45 | 66.4 Ų | 66.4 | 37% | 0.372 | 33% | 0.33 | S | S | . | . | trans | -66.5 | 158.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E273 E274 K275 | A271-E273 VanDerWaalsContact C-N 3.26Å; A271-E273 PolarHBondContact O-N 3.2Å; A271-E274 HydrophobicContact CB-CG 4.19Å; A271-E274 PolarHBondContact N-OE2 3.48Å; A271-E274 PolarHBondContact O-N 3.44Å; A271-K275 WeakPolarHBondContact O-CD 3.49Å; A271-K275 VanDerWaalsContact O-CG 3.29Å; A271-K275 WeakPolarHBondContact O-CG 3.32Å; A271-K275 PolarHBondContact O-N 3.43Å | ||
| 272 | E | 96.2 | Very high | 95.4 | Very high | 126 Ų | 126 | 66.1 Ų | 66.1 | 59% | 0.589 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.5 | -33.5 | -178 | -151.2 | -162.3 | 124.4 | 0 | 0 | 111.6 | K275 N276 | E272-K275 PolarHBondContact O-N 2.84Å; E272-N276 VanDerWaalsContact O-CB 3.28Å; E272-N276 WeakPolarHBondContact O-CB 3.21Å; E272-N276 PolarHBondContact O-N 2.64Å; E272-N276 PolarHBondContact O-ND2 2.65Å; E272-N276 PolarHBondContact OE1-ND2 2.77Å |
| 273 | E | 96.6 | Very high | 95.5 | Very high | 140 Ų | 140 | 64.7 Ų | 64.7 | 65% | 0.654 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64.5 | -48 | 175.6 | -60.5 | 73.7 | -164.3 | 0 | 0 | 111 | A271 K275 N276 E277 | A271-E273 VanDerWaalsContact C-N 3.26Å; A271-E273 PolarHBondContact O-N 3.2Å; E273-K275 VanDerWaalsContact C-N 3.31Å; E273-K275 PolarHBondContact O-N 2.83Å; E273-N276 PolarHBondContact O-N 2.94Å; E273-E277 PolarHBondContact O-N 2.94Å |
| 274 | E | 96.7 | Very high | 95.3 | Very high | 76 Ų | 76 | 67.5 Ų | 67.5 | 36% | 0.355 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 176.4 | -67.2 | -176 | 98.1 | 0 | 0 | 111.6 | F263 K270 A271 F278 | F263-E274 HydrophobicContact CE2-CB 4.31Å; F263-E274 HydrophobicContact CZ-CB 4.32Å; K270-E274 HydrophobicContact CB-CB 4.47Å; K270-E274 HydrophobicContact CD-CB 4.27Å; K270-E274 VanDerWaalsContact CD-CD 3.41Å; K270-E274 VanDerWaalsContact CD-OE1 3.3Å; K270-E274 WeakPolarHBondContact CD-OE1 3.49Å; K270-E274 WeakPolarHBondContact CD-OE2 3.26Å; K270-E274 IonicContact NZ-OE1 3.83Å; K270-E274 PolarHBondContact NZ-OE1 3.25Å; K270-E274 IonicContact NZ-OE2 2.71Å; A271-E274 HydrophobicContact CB-CG 4.19Å; A271-E274 PolarHBondContact N-OE2 3.48Å; A271-E274 PolarHBondContact O-N 3.44Å; E274-F278 WeakPolarHBondContact O-CB 3.47Å; E274-F278 PolarHBondContact O-N 3.17Å |
| 275 | K | 96.8 | Very high | 95.2 | Very high | 34 Ų | 34 | 69.2 Ų | 69.2 | 15% | 0.148 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.2 | -47.1 | 176.9 | -70.4 | 161.4 | 161.9 | -157.4 | 0 | 111.4 | F263 L267 K270 A271 E272 E273 E277 F278 F279 E310 | F263-K275 HydrophobicContact CZ-CG 4.42Å; L267-K275 HydrophobicContact CD1-CG 4.08Å; L267-K275 WeakPolarHBondContact O-CE 3.43Å; K270-K275 HydrophobicContact CB-CG 3.97Å; K270-K275 VanDerWaalsContact O-CE 3.27Å; K270-K275 WeakPolarHBondContact O-CE 3.43Å; A271-K275 WeakPolarHBondContact O-CD 3.49Å; A271-K275 VanDerWaalsContact O-CG 3.29Å; A271-K275 WeakPolarHBondContact O-CG 3.32Å; A271-K275 PolarHBondContact O-N 3.43Å; E272-K275 PolarHBondContact O-N 2.84Å; E273-K275 VanDerWaalsContact C-N 3.31Å; E273-K275 PolarHBondContact O-N 2.83Å; K275-E277 PolarHBondContact O-N 3.49Å; K275-F278 PolarHBondContact O-N 2.9Å; K275-F279 HydrophobicContact CB-CD2 4.38Å; K275-F279 HydrophobicContact CB-CE2 4.42Å; K275-F279 WeakPolarHBondContact O-CD2 3.45Å; K275-F279 PolarHBondContact O-N 3.35Å; K275-E310 WeakPolarHBondContact CD-OE1 3.25Å; K275-E310 WeakPolarHBondContact CE-OE1 3.36Å; K275-E310 IonicContact NZ-OE1 3.94Å; K275-E310 PolarHBondContact NZ-OE1 3.1Å |
| 276 | N | 96.7 | Very high | 95.2 | Very high | 46 Ų | 46 | 63.8 Ų | 63.8 | 25% | 0.246 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 179.4 | -83.7 | -56.3 | 0 | 0 | 0 | 111.7 | E272 E273 K280 T312 | E272-N276 VanDerWaalsContact O-CB 3.28Å; E272-N276 WeakPolarHBondContact O-CB 3.21Å; E272-N276 PolarHBondContact O-N 2.64Å; E272-N276 PolarHBondContact O-ND2 2.65Å; E272-N276 PolarHBondContact OE1-ND2 2.77Å; E273-N276 PolarHBondContact O-N 2.94Å; N276-K280 WeakPolarHBondContact O-CB 3.2Å; N276-K280 PolarHBondContact O-N 3.46Å; N276-T312 WeakPolarHBondContact OD1-CB 3.27Å; N276-T312 PolarHBondContact OD1-OG1 3.47Å |
| 277 | E | 96.8 | Very high | 95.1 | Very high | 129 Ų | 129 | 66.5 Ų | 66.5 | 60% | 0.603 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -67.2 | -47.3 | 173.6 | -176.9 | 163.4 | -133.9 | 0 | 0 | 111.9 | E273 K275 F279 K280 F281 | E273-E277 PolarHBondContact O-N 2.94Å; K275-E277 PolarHBondContact O-N 3.49Å; E277-F279 PolarHBondContact O-N 3.17Å; E277-K280 WeakPolarHBondContact O-CB 3.45Å; E277-K280 PolarHBondContact O-N 2.71Å; E277-F281 HydrophobicContact CG-CD2 4.01Å; E277-F281 HydrophobicContact CG-CE2 4.08Å; E277-F281 WeakPolarHBondContact O-CD2 3.47Å; E277-F281 PolarHBondContact O-N 2.88Å |
| 278 | F | 97.3 | Very high | 94.6 | Very high | 18 Ų | 18 | 69 Ų | 69 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56 | -54.6 | 178.1 | 175.1 | -101.4 | 0 | 0 | 0 | 112.1 | V260 F263 L264 E274 K275 K280 F281 L282 | V260-F278 HydrophobicContact CB-CZ 4.44Å; V260-F278 HydrophobicContact CG1-CZ 4.22Å; V260-F278 HydrophobicContact CG2-CE2 4.11Å; V260-F278 HydrophobicContact CG2-CZ 4.28Å; F263-F278 HydrophobicContact CB-CD2 4.04Å; F263-F278 HydrophobicContact CB-CE2 3.57Å; F263-F278 HydrophobicContact CB-CZ 3.86Å; F263-F278 HydrophobicContact CD1-CB 4.28Å; F263-F278 AromaticContact CD1-CD1 3.44Å; F263-F278 HydrophobicContact CD1-CD1 3.44Å; F263-F278 VanDerWaalsContact CD1-CD1 3.44Å; F263-F278 AromaticContact CD1-CD2 3.72Å; F263-F278 HydrophobicContact CD1-CD2 3.72Å; F263-F278 AromaticContact CD1-CE1 3.5Å; F263-F278 HydrophobicContact CD1-CE1 3.5Å; F263-F278 VanDerWaalsContact CD1-CE1 3.5Å; F263-F278 AromaticContact CD1-CE2 3.78Å; F263-F278 HydrophobicContact CD1-CE2 3.78Å; F263-F278 AromaticContact CD1-CG 3.54Å; F263-F278 HydrophobicContact CD1-CG 3.54Å; F263-F278 AromaticContact CD1-CZ 3.66Å; F263-F278 HydrophobicContact CD1-CZ 3.66Å; F263-F278 HydrophobicContact CD2-CB 4.35Å; F263-F278 AromaticContact CD2-CD2 3.77Å; F263-F278 HydrophobicContact CD2-CD2 3.77Å; F263-F278 HydrophobicContact CD2-CE2 4.21Å; F263-F278 HydrophobicContact CD2-CG 4.07Å; F263-F278 HydrophobicContact CE1-CB 3.75Å; F263-F278 AromaticContact CE1-CD1 3.4Å; F263-F278 HydrophobicContact CE1-CD1 3.4Å; F263-F278 VanDerWaalsContact CE1-CD1 3.4Å; F263-F278 HydrophobicContact CE1-CD2 4.09Å; F263-F278 AromaticContact CE1-CE1 3.94Å; F263-F278 HydrophobicContact CE1-CE1 3.94Å; F263-F278 AromaticContact CE1-CG 3.47Å; F263-F278 HydrophobicContact CE1-CG 3.47Å; F263-F278 VanDerWaalsContact CE1-CG 3.47Å; F263-F278 HydrophobicContact CE1-CZ 4.47Å; F263-F278 HydrophobicContact CE2-CB 3.83Å; F263-F278 HydrophobicContact CE2-CD2 4.13Å; F263-F278 HydrophobicContact CE2-CG 4.01Å; F263-F278 HydrophobicContact CG-CD1 4.17Å; F263-F278 AromaticContact CG-CD2 3.55Å; F263-F278 HydrophobicContact CG-CD2 3.55Å; F263-F278 HydrophobicContact CG-CE1 4.19Å; F263-F278 AromaticContact CG-CE2 3.59Å; F263-F278 HydrophobicContact CG-CE2 3.59Å; F263-F278 AromaticContact CG-CG 3.85Å; F263-F278 HydrophobicContact CG-CG 3.85Å; F263-F278 AromaticContact CG-CZ 3.9Å; F263-F278 HydrophobicContact CG-CZ 3.9Å; F263-F278 HydrophobicContact CZ-CB 3.5Å; F263-F278 HydrophobicContact CZ-CD1 4.11Å; F263-F278 HydrophobicContact CZ-CD2 4.28Å; F263-F278 AromaticContact CZ-CG 3.72Å; F263-F278 HydrophobicContact CZ-CG 3.72Å; L264-F278 HydrophobicContact CD2-CE1 4.27Å; L264-F278 HydrophobicContact CG-CZ 4.41Å; E274-F278 WeakPolarHBondContact O-CB 3.47Å; E274-F278 PolarHBondContact O-N 3.17Å; K275-F278 PolarHBondContact O-N 2.9Å; F278-K280 VanDerWaalsContact C-N 3.28Å; F278-K280 PolarHBondContact O-N 2.72Å; F278-F281 PolarHBondContact O-N 2.74Å; F278-L282 HydrophobicContact CE1-CD1 4.08Å; F278-L282 HydrophobicContact CE1-CD2 3.96Å; F278-L282 HydrophobicContact CE2-CD1 4.14Å; F278-L282 HydrophobicContact CZ-CD1 3.68Å; F278-L282 HydrophobicContact CZ-CD2 4.37Å; F278-L282 WeakPolarHBondContact O-CA 3.16Å; F278-L282 VanDerWaalsContact O-CB 3.32Å; F278-L282 WeakPolarHBondContact O-CB 3.4Å; F278-L282 PolarHBondContact O-N 3.3Å |
| 279 | F | 97.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -71.5 | -20.2 | -177.3 | -71 | -62.4 | 0 | 0 | 0 | 114.2 | L267 K275 E277 L282 V307 E310 T312 A313 | L267-F279 HydrophobicContact CD1-CE2 3.83Å; L267-F279 HydrophobicContact CD1-CZ 3.87Å; L267-F279 HydrophobicContact CD2-CZ 4.34Å; K275-F279 HydrophobicContact CB-CD2 4.38Å; K275-F279 HydrophobicContact CB-CE2 4.42Å; K275-F279 WeakPolarHBondContact O-CD2 3.45Å; K275-F279 PolarHBondContact O-N 3.35Å; E277-F279 PolarHBondContact O-N 3.17Å; F279-L282 HydrophobicContact CD1-CD2 3.67Å; F279-L282 HydrophobicContact CE1-CD2 3.94Å; F279-V307 HydrophobicContact CE1-CG1 3.96Å; F279-V307 HydrophobicContact CE1-CG2 4.38Å; F279-V307 HydrophobicContact CZ-CG1 4.3Å; F279-V307 HydrophobicContact CZ-CG2 4.17Å; F279-E310 HydrophobicContact CD2-CB 4.02Å; F279-E310 HydrophobicContact CD2-CG 4.3Å; F279-E310 HydrophobicContact CE2-CB 3.8Å; F279-E310 HydrophobicContact CE2-CG 3.64Å; F279-E310 HydrophobicContact CZ-CB 4.48Å; F279-E310 HydrophobicContact CZ-CG 4.26Å; F279-T312 HydrophobicContact CB-CG2 4.1Å; F279-A313 HydrophobicContact CB-CB 4.11Å; F279-A313 HydrophobicContact CD1-CB 3.5Å; F279-A313 VanDerWaalsContact CD1-CB 3.5Å; F279-A313 HydrophobicContact CD2-CB 4.05Å; F279-A313 HydrophobicContact CE1-CB 3.86Å; F279-A313 HydrophobicContact CE2-CB 4.39Å; F279-A313 HydrophobicContact CG-CB 3.62Å; F279-A313 HydrophobicContact CZ-CB 4.3Å |
| 280 | K | 95.6 | Very high | 93.9 | Very high | 122 Ų | 122 | 59.9 Ų | 59.9 | 53% | 0.53 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.3 | -41 | 172.8 | 174.2 | -173.5 | 171.9 | -167.1 | 0 | 111.8 | N276 E277 F278 T312 | N276-K280 WeakPolarHBondContact O-CB 3.2Å; N276-K280 PolarHBondContact O-N 3.46Å; E277-K280 WeakPolarHBondContact O-CB 3.45Å; E277-K280 PolarHBondContact O-N 2.71Å; F278-K280 VanDerWaalsContact C-N 3.28Å; F278-K280 PolarHBondContact O-N 2.72Å; K280-T312 HydrophobicContact CB-CG2 4.19Å |
| 281 | F | 95.1 | Very high | 93.4 | Very high | 86 Ų | 86 | 60.4 Ų | 60.4 | 38% | 0.377 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -102.4 | -2.1 | -177.7 | -62.1 | -65.3 | 0 | 0 | 0 | 113.9 | E277 F278 L283 D284 R285 | E277-F281 HydrophobicContact CG-CD2 4.01Å; E277-F281 HydrophobicContact CG-CE2 4.08Å; E277-F281 WeakPolarHBondContact O-CD2 3.47Å; E277-F281 PolarHBondContact O-N 2.88Å; F278-F281 PolarHBondContact O-N 2.74Å; F281-L283 PolarHBondContact O-N 3.34Å; F281-L283 VanDerWaalsContact O-N 3.13Å; F281-D284 WeakPolarHBondContact O-CB 3.34Å; F281-D284 PolarHBondContact O-N 3.49Å; F281-D284 VanDerWaalsContact O-N 3.11Å; F281-R285 WeakPolarHBondContact O-CG 3.15Å; F281-R285 PolarHBondContact O-N 2.91Å |
| 282 | L | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.8 | -31.6 | -177.4 | -178.6 | 60.1 | 0 | 0 | 0 | 113.3 | V260 F278 F279 R285 V286 L302 F317 | V260-L282 HydrophobicContact CB-CD1 4.4Å; V260-L282 HydrophobicContact CG1-CD1 3.89Å; V260-L282 HydrophobicContact CG2-CD1 3.56Å; F278-L282 HydrophobicContact CE1-CD1 4.08Å; F278-L282 HydrophobicContact CE1-CD2 3.96Å; F278-L282 HydrophobicContact CE2-CD1 4.14Å; F278-L282 HydrophobicContact CZ-CD1 3.68Å; F278-L282 HydrophobicContact CZ-CD2 4.37Å; F278-L282 WeakPolarHBondContact O-CA 3.16Å; F278-L282 VanDerWaalsContact O-CB 3.32Å; F278-L282 WeakPolarHBondContact O-CB 3.4Å; F278-L282 PolarHBondContact O-N 3.3Å; F279-L282 HydrophobicContact CD1-CD2 3.67Å; F279-L282 HydrophobicContact CE1-CD2 3.94Å; L282-R285 PolarHBondContact O-N 3.29Å; L282-V286 HydrophobicContact CD1-CG2 3.67Å; L282-V286 HydrophobicContact CG-CG2 4.09Å; L282-V286 WeakPolarHBondContact O-CB 3.13Å; L282-V286 WeakPolarHBondContact O-CG2 3.41Å; L282-V286 PolarHBondContact O-N 2.89Å; L282-L302 HydrophobicContact CD2-CD2 3.84Å; L282-F317 HydrophobicContact CB-CD2 4.02Å; L282-F317 HydrophobicContact CB-CE2 4.46Å; L282-F317 HydrophobicContact CB-CG 4.38Å; L282-F317 HydrophobicContact CD2-CD1 3.71Å; L282-F317 HydrophobicContact CD2-CD2 3.88Å; L282-F317 HydrophobicContact CD2-CE1 3.82Å; L282-F317 HydrophobicContact CD2-CE2 4Å; L282-F317 HydrophobicContact CD2-CG 3.74Å; L282-F317 HydrophobicContact CD2-CZ 3.98Å; L282-F317 HydrophobicContact CG-CD1 4.47Å; L282-F317 HydrophobicContact CG-CD2 3.74Å; L282-F317 HydrophobicContact CG-CE1 4.46Å; L282-F317 HydrophobicContact CG-CE2 3.75Å; L282-F317 HydrophobicContact CG-CG 4.12Å; L282-F317 HydrophobicContact CG-CZ 4.13Å |
| 283 | L | 94 | Very high | 92.5 | Very high | 15 Ų | 15 | 55.6 Ų | 55.6 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 177.3 | -173.1 | 62.8 | 0 | 0 | 0 | 111.4 | F281 R285 V286 Q287 F317 H320 E333 L335 | F281-L283 PolarHBondContact O-N 3.34Å; F281-L283 VanDerWaalsContact O-N 3.13Å; L283-R285 PolarHBondContact O-N 3.3Å; L283-V286 PolarHBondContact O-N 3.19Å; L283-V286 VanDerWaalsContact O-N 3.1Å; L283-Q287 WeakPolarHBondContact O-CG 3.35Å; L283-Q287 PolarHBondContact O-N 3.46Å; L283-F317 HydrophobicContact CB-CD2 4.27Å; L283-F317 HydrophobicContact CD1-CD2 4.43Å; L283-F317 HydrophobicContact CD1-CE2 4.45Å; L283-H320 HydrophobicContact CD1-CB 3.65Å; L283-H320 HydrophobicContact CD2-CB 4.43Å; L283-E333 HydrophobicContact CD2-CB 4.22Å; L283-E333 VanDerWaalsContact CD2-OE2 3.27Å; L283-E333 WeakPolarHBondContact CD2-OE2 3.12Å; L283-L335 HydrophobicContact CD1-CD1 4.11Å; L283-L335 HydrophobicContact CD1-CD2 4Å; L283-L335 HydrophobicContact CD1-CG 4.12Å |
| 284 | D | 92.3 | Very high | 92.3 | Very high | 87 Ų | 87 | 49.1 Ų | 49.1 | 47% | 0.465 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.5 | -38.8 | 178.1 | -59.2 | -59.1 | 0 | 0 | 0 | 112.2 | F281 | F281-D284 WeakPolarHBondContact O-CB 3.34Å; F281-D284 PolarHBondContact O-N 3.49Å; F281-D284 VanDerWaalsContact O-N 3.11Å |
| 285 | R | 91.6 | Very high | 92.1 | Very high | 60 Ų | 60 | 45.5 Ų | 45.5 | 23% | 0.226 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -77.7 | -20.9 | 179.6 | -56.8 | -165.3 | 72.8 | 166.1 | 11.2 | 114.2 | D256 E259 V260 F281 L282 L283 S288 | D256-R285 HydrophobicContact CB-CB 4.18Å; D256-R285 VanDerWaalsContact CB-O 3.26Å; D256-R285 WeakPolarHBondContact CB-O 3.43Å; D256-R285 IonicContact OD1-CZ 3.09Å; D256-R285 IonicContact OD1-NE 3.82Å; D256-R285 PolarHBondContact OD1-NE 3.38Å; D256-R285 IonicContact OD1-NH2 2.74Å; D256-R285 PolarHBondContact OD1-NH2 2.76Å; E259-R285 VanDerWaalsContact CD-NH2 3.26Å; E259-R285 IonicContact OE1-NH2 3.14Å; E259-R285 IonicContact OE2-CZ 2.71Å; E259-R285 VanDerWaalsContact OE2-CZ 3.25Å; E259-R285 IonicContact OE2-NH1 3.53Å; E259-R285 PolarHBondContact OE2-NH1 3.47Å; E259-R285 IonicContact OE2-NH2 3.15Å; E259-R285 PolarHBondContact OE2-NH2 3.24Å; V260-R285 HydrophobicContact CG2-CB 4.37Å; F281-R285 WeakPolarHBondContact O-CG 3.15Å; F281-R285 PolarHBondContact O-N 2.91Å; L282-R285 PolarHBondContact O-N 3.29Å; L283-R285 PolarHBondContact O-N 3.3Å; R285-S288 PolarHBondContact O-OG 2.86Å; R285-S288 VanDerWaalsContact O-OG 3.11Å |
| 286 | V | 91.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -98.9 | -32.8 | -177.6 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | L282 L283 S288 L289 I294 L298 F317 L335 | L282-V286 HydrophobicContact CD1-CG2 3.67Å; L282-V286 HydrophobicContact CG-CG2 4.09Å; L282-V286 WeakPolarHBondContact O-CB 3.13Å; L282-V286 WeakPolarHBondContact O-CG2 3.41Å; L282-V286 PolarHBondContact O-N 2.89Å; L283-V286 PolarHBondContact O-N 3.19Å; L283-V286 VanDerWaalsContact O-N 3.1Å; V286-S288 PolarHBondContact O-N 3.28Å; V286-L289 WeakPolarHBondContact O-CB 3.34Å; V286-L289 PolarHBondContact O-N 3.34Å; V286-L289 VanDerWaalsContact O-N 3.14Å; V286-I294 HydrophobicContact CG1-CD1 3.93Å; V286-I294 HydrophobicContact CG1-CG1 4.03Å; V286-I294 HydrophobicContact CG1-CG2 3.86Å; V286-I294 VanDerWaalsContact O-CD1 3.23Å; V286-I294 WeakPolarHBondContact O-CD1 3.39Å; V286-L298 HydrophobicContact CG1-CD1 4.28Å; V286-L298 HydrophobicContact CG2-CD1 4.15Å; V286-F317 HydrophobicContact CB-CE2 4.31Å; V286-F317 HydrophobicContact CG2-CE2 4.33Å; V286-L335 HydrophobicContact CG1-CD1 3.88Å; V286-L335 HydrophobicContact CG1-CD2 4.04Å |
| 287 | Q | 89.3 | Confident | 91.3 | Very high | 93 Ų | 93 | 43.6 Ų | 43.6 | 44% | 0.435 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -14.7 | 176.7 | 71.7 | -177 | -13.1 | 0 | 0 | 114.3 | L283 L289 L335 | L283-Q287 WeakPolarHBondContact O-CG 3.35Å; L283-Q287 PolarHBondContact O-N 3.46Å; Q287-L289 VanDerWaalsContact C-N 3.3Å; Q287-L335 HydrophobicContact CB-CD2 4.04Å |
| 288 | S | 84.7 | Confident | 91.2 | Very high | 61 Ų | 61 | 37.4 Ų | 37.4 | 43% | 0.427 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -11.8 | 172.3 | 60.8 | 0 | 0 | 0 | 0 | 113.7 | D256 R285 V286 | D256-S288 PolarHBondContact OD2-OG 2.89Å; R285-S288 PolarHBondContact O-OG 2.86Å; R285-S288 VanDerWaalsContact O-OG 3.11Å; V286-S288 PolarHBondContact O-N 3.28Å |
| 289 | L | 87.1 | Confident | 91.1 | Very high | 18 Ų | 18 | 36.6 Ų | 36.6 | 9% | 0.094 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -97.2 | 153.3 | -170.5 | -59.5 | 177.4 | 0 | 0 | 0 | 112.8 | D256 F257 V286 Q287 E291 I294 L298 | D256-L289 HydrophobicContact CB-CD2 4.25Å; F257-L289 HydrophobicContact CB-CD1 4.01Å; F257-L289 HydrophobicContact CB-CD2 4.03Å; F257-L289 HydrophobicContact CD2-CD1 4.4Å; V286-L289 WeakPolarHBondContact O-CB 3.34Å; V286-L289 PolarHBondContact O-N 3.34Å; V286-L289 VanDerWaalsContact O-N 3.14Å; Q287-L289 VanDerWaalsContact C-N 3.3Å; L289-E291 PolarHBondContact O-N 2.91Å; L289-I294 HydrophobicContact CB-CD1 4.28Å; L289-I294 HydrophobicContact CB-CG1 3.93Å; L289-L298 HydrophobicContact CD1-CD1 3.69Å |
| 290 | P | 85.7 | Confident | 90.9 | Very high | 39 Ų | 39 | 38.8 Ų | 38.8 | 25% | 0.253 | 20% | 0.196 | S | C | . | . | trans | -59.7 | 135.7 | 175.4 | -24 | 33.8 | 0 | 0 | 0 | 113.2 | E98 E292 L293 I294 | E98-P290 HydrophobicContact CG-CG 4.28Å; P290-E292 PolarHBondContact O-N 2.88Å; P290-L293 HydrophobicContact CB-CB 4.21Å; P290-L293 WeakPolarHBondContact O-CA 3.31Å; P290-L293 VanDerWaalsContact O-CB 3.31Å; P290-L293 WeakPolarHBondContact O-CB 3.31Å; P290-L293 PolarHBondContact O-N 3.17Å; P290-I294 PolarHBondContact O-N 3.06Å; P290-I294 VanDerWaalsContact O-N 3.08Å | ||
| 291 | E | 87.8 | Confident | 90.7 | Very high | 72 Ų | 72 | 36.1 Ų | 36.1 | 34% | 0.336 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -55.1 | -44.9 | -173 | -161.9 | -164.6 | 135.6 | 0 | 0 | 113.6 | L289 L293 I294 A295 L336 S337 L340 | L289-E291 PolarHBondContact O-N 2.91Å; E291-L293 VanDerWaalsContact C-N 3.31Å; E291-L293 PolarHBondContact O-N 2.84Å; E291-I294 PolarHBondContact O-N 3.19Å; E291-A295 WeakPolarHBondContact O-CB 3.41Å; E291-A295 PolarHBondContact O-N 3.33Å; E291-L336 HydrophobicContact CG-CD2 3.73Å; E291-S337 WeakPolarHBondContact OE1-CB 3.2Å; E291-S337 PolarHBondContact OE1-N 3.47Å; E291-S337 PolarHBondContact OE1-OG 2.95Å; E291-L340 HydrophobicContact CB-CD1 4.33Å; E291-L340 HydrophobicContact CG-CD1 4Å; E291-L340 WeakPolarHBondContact OE1-CD1 3.48Å |
| 292 | E | 86.4 | Confident | 90.8 | Very high | 70 Ų | 70 | 32 Ų | 32 | 33% | 0.327 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -68.1 | -29.2 | 178.5 | -171.4 | 78.2 | -117.3 | 0 | 0 | 112.1 | P290 A295 T296 L340 K343 H344 | P290-E292 PolarHBondContact O-N 2.88Å; E292-A295 PolarHBondContact O-N 2.85Å; E292-T296 HydrophobicContact CG-CG2 3.98Å; E292-T296 WeakPolarHBondContact O-CB 3.43Å; E292-T296 VanDerWaalsContact O-CG2 3.27Å; E292-T296 WeakPolarHBondContact O-CG2 3.19Å; E292-T296 PolarHBondContact O-N 3.26Å; E292-T296 PolarHBondContact O-OG1 2.86Å; E292-T296 VanDerWaalsContact OE1-CG2 3.24Å; E292-T296 WeakPolarHBondContact OE1-CG2 3.48Å; E292-L340 HydrophobicContact CB-CD1 4Å; E292-L340 VanDerWaalsContact OE2-CD2 3.27Å; E292-L340 WeakPolarHBondContact OE2-CD2 3.23Å; E292-K343 IonicContact OE1-NZ 3.94Å; E292-K343 PolarHBondContact OE1-NZ 3.41Å; E292-K343 IonicContact OE2-NZ 3.95Å; E292-K343 PolarHBondContact OE2-NZ 3.44Å; E292-H344 IonicContact OE1-CD2 2.72Å; E292-H344 IonicContact OE1-CE1 3.03Å; E292-H344 CovalentContact OE1-NE2 1.81Å; E292-H344 IonicContact OE1-NE2 2.71Å; E292-H344 PolarHBondContact OE1-NE2 3.32Å; E292-H344 IonicContact OE2-NE2 3.17Å |
| 293 | L | 87.1 | Confident | 90.8 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.7 | -42.9 | 173.5 | -175.8 | 74.9 | 0 | 0 | 0 | 110.9 | E98 E99 F257 P290 E291 A295 R297 | E98-L293 HydrophobicContact CB-CD2 3.69Å; E98-L293 HydrophobicContact CG-CD2 4.21Å; E99-L293 HydrophobicContact CG-CD1 3.65Å; F257-L293 HydrophobicContact CB-CD2 4.16Å; F257-L293 HydrophobicContact CD2-CD1 4.15Å; F257-L293 HydrophobicContact CD2-CD2 3.59Å; F257-L293 HydrophobicContact CD2-CG 3.76Å; F257-L293 HydrophobicContact CE2-CD1 3.88Å; F257-L293 HydrophobicContact CE2-CD2 4.18Å; F257-L293 HydrophobicContact CE2-CG 3.85Å; F257-L293 HydrophobicContact CG-CD2 3.84Å; F257-L293 HydrophobicContact CG-CG 4.42Å; F257-L293 HydrophobicContact CZ-CD1 4.14Å; P290-L293 HydrophobicContact CB-CB 4.21Å; P290-L293 WeakPolarHBondContact O-CA 3.31Å; P290-L293 VanDerWaalsContact O-CB 3.31Å; P290-L293 WeakPolarHBondContact O-CB 3.31Å; P290-L293 PolarHBondContact O-N 3.17Å; E291-L293 VanDerWaalsContact C-N 3.31Å; E291-L293 PolarHBondContact O-N 2.84Å; L293-A295 VanDerWaalsContact C-N 3.32Å; L293-A295 PolarHBondContact O-N 2.87Å; L293-R297 HydrophobicContact CD1-CB 4.45Å; L293-R297 HydrophobicContact CD1-CG 4.01Å; L293-R297 WeakPolarHBondContact O-CB 3.49Å; L293-R297 PolarHBondContact O-N 2.87Å |
| 294 | I | 92.2 | Very high | 90.7 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -59.2 | -48 | 172.9 | -55.7 | 168.8 | 0 | 0 | 0 | 109.2 | V286 L289 P290 E291 L298 V299 L336 | V286-I294 HydrophobicContact CG1-CD1 3.93Å; V286-I294 HydrophobicContact CG1-CG1 4.03Å; V286-I294 HydrophobicContact CG1-CG2 3.86Å; V286-I294 VanDerWaalsContact O-CD1 3.23Å; V286-I294 WeakPolarHBondContact O-CD1 3.39Å; L289-I294 HydrophobicContact CB-CD1 4.28Å; L289-I294 HydrophobicContact CB-CG1 3.93Å; P290-I294 PolarHBondContact O-N 3.06Å; P290-I294 VanDerWaalsContact O-N 3.08Å; E291-I294 PolarHBondContact O-N 3.19Å; I294-L298 HydrophobicContact CG1-CD1 4.47Å; I294-L298 HydrophobicContact CG2-CB 4.45Å; I294-L298 WeakPolarHBondContact O-CB 3.09Å; I294-L298 PolarHBondContact O-N 3.39Å; I294-L298 VanDerWaalsContact O-N 3.14Å; I294-V299 WeakPolarHBondContact O-CG2 3.44Å; I294-V299 PolarHBondContact O-N 2.88Å; I294-L336 HydrophobicContact CB-CD2 4.17Å; I294-L336 HydrophobicContact CG2-CD2 4.11Å |
| 295 | A | 92.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -69.7 | -42.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E291 E292 L293 V299 L336 L340 H344 | E291-A295 WeakPolarHBondContact O-CB 3.41Å; E291-A295 PolarHBondContact O-N 3.33Å; E292-A295 PolarHBondContact O-N 2.85Å; L293-A295 VanDerWaalsContact C-N 3.32Å; L293-A295 PolarHBondContact O-N 2.87Å; A295-V299 WeakPolarHBondContact O-CB 3.37Å; A295-L336 HydrophobicContact CB-CD2 3.74Å; A295-L340 HydrophobicContact CB-CB 4Å; A295-L340 HydrophobicContact CB-CD1 4.13Å; A295-H344 HydrophobicContact CB-CB 4.15Å; A295-H344 WeakPolarHBondContact CB-CD2 3.3Å; A295-H344 VanDerWaalsContact O-CB 3.28Å; A295-H344 WeakPolarHBondContact O-CB 3.37Å |
| 296 | T | 88.7 | Confident | 91 | Very high | 32 Ų | 32 | 32.3 Ų | 32.3 | 20% | 0.196 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -79 | -45.7 | -178.7 | 53.1 | 0 | 0 | 0 | 0 | 112.7 | E292 P300 H344 | E292-T296 HydrophobicContact CG-CG2 3.98Å; E292-T296 WeakPolarHBondContact O-CB 3.43Å; E292-T296 VanDerWaalsContact O-CG2 3.27Å; E292-T296 WeakPolarHBondContact O-CG2 3.19Å; E292-T296 PolarHBondContact O-N 3.26Å; E292-T296 PolarHBondContact O-OG1 2.86Å; E292-T296 VanDerWaalsContact OE1-CG2 3.24Å; E292-T296 WeakPolarHBondContact OE1-CG2 3.48Å; T296-P300 WeakPolarHBondContact O-CD 3.27Å; T296-P300 WeakPolarHBondContact O-CG 3.22Å; T296-H344 WeakPolarHBondContact CG2-CE1 3.34Å; T296-H344 WeakPolarHBondContact CG2-NE2 3.48Å |
| 297 | R | 89.3 | Confident | 91.2 | Very high | 7 Ų | 7 | 32.3 Ų | 32.3 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -102.9 | -40.9 | -166.5 | -62.2 | -80.8 | -97.9 | 148.8 | -1.9 | 113.1 | D106 D135 G136 H137 F257 L293 K301 | D106-R297 IonicContact OD2-NH2 2.6Å; D135-R297 WeakPolarHBondContact O-CD 3.5Å; D135-R297 PolarHBondContact O-NH1 3.42Å; G136-R297 VanDerWaalsContact C-CZ 3.4Å; G136-R297 VanDerWaalsContact C-NH1 3.27Å; G136-R297 PolarHBondContact O-NH1 3.08Å; G136-R297 PolarHBondContact O-NH2 3.4Å; H137-R297 PolarHBondContact CD2-NH1 3.49Å; H137-R297 PolarHBondContact CE1-NH1 3.32Å; H137-R297 VanDerWaalsContact CE1-NH1 3.28Å; H137-R297 PolarHBondContact ND1-NH1 2.85Å; H137-R297 PolarHBondContact NE2-NH1 3.26Å; F257-R297 HydrophobicContact CE2-CB 3.57Å; F257-R297 HydrophobicContact CE2-CG 4.29Å; F257-R297 HydrophobicContact CZ-CB 3.69Å; F257-R297 HydrophobicContact CZ-CG 4.09Å; L293-R297 HydrophobicContact CD1-CB 4.45Å; L293-R297 HydrophobicContact CD1-CG 4.01Å; L293-R297 WeakPolarHBondContact O-CB 3.49Å; L293-R297 PolarHBondContact O-N 2.87Å; R297-K301 WeakPolarHBondContact O-CG 3.23Å |
| 298 | L | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -87.4 | -45.7 | -175.2 | -60.7 | -175.4 | 0 | 0 | 0 | 113.2 | F257 V260 M261 V286 L289 I294 P300 K301 L302 | F257-L298 HydrophobicContact CD2-CD1 4.28Å; F257-L298 HydrophobicContact CD2-CD2 3.73Å; F257-L298 HydrophobicContact CD2-CG 4Å; F257-L298 HydrophobicContact CE2-CD2 3.57Å; F257-L298 HydrophobicContact CE2-CG 3.91Å; V260-L298 HydrophobicContact CG1-CD2 4Å; M261-L298 HydrophobicContact CG-CD2 3.73Å; M261-L298 HydrophobicContact SD-CD2 3.74Å; V286-L298 HydrophobicContact CG1-CD1 4.28Å; V286-L298 HydrophobicContact CG2-CD1 4.15Å; L289-L298 HydrophobicContact CD1-CD1 3.69Å; I294-L298 HydrophobicContact CG1-CD1 4.47Å; I294-L298 HydrophobicContact CG2-CB 4.45Å; I294-L298 WeakPolarHBondContact O-CB 3.09Å; I294-L298 PolarHBondContact O-N 3.39Å; I294-L298 VanDerWaalsContact O-N 3.14Å; L298-P300 VanDerWaalsContact C-CD 3.5Å; L298-P300 VanDerWaalsContact C-N 3.35Å; L298-K301 CarbonylContact O-C 3.53Å; L298-K301 WeakPolarHBondContact O-CA 3.41Å; L298-K301 PolarHBondContact O-N 3.33Å; L298-L302 HydrophobicContact CB-CD1 3.77Å; L298-L302 WeakPolarHBondContact O-CB 3.2Å; L298-L302 WeakPolarHBondContact O-CG 3.39Å; L298-L302 PolarHBondContact O-N 3.28Å |
| 299 | V | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -48.6 | -46.4 | 179.5 | 162.4 | 0 | 0 | 0 | 0 | 113.2 | I294 A295 K301 L302 L303 L321 L336 V345 Q348 | I294-V299 WeakPolarHBondContact O-CG2 3.44Å; I294-V299 PolarHBondContact O-N 2.88Å; A295-V299 WeakPolarHBondContact O-CB 3.37Å; V299-K301 PolarHBondContact O-N 3.03Å; V299-L302 PolarHBondContact O-N 3.21Å; V299-L303 HydrophobicContact CG1-CD1 3.81Å; V299-L303 HydrophobicContact CG1-CG 4.31Å; V299-L303 WeakPolarHBondContact O-CB 3.42Å; V299-L303 PolarHBondContact O-N 3.14Å; V299-L321 HydrophobicContact CG2-CD1 3.99Å; V299-L336 HydrophobicContact CG2-CD1 3.68Å; V299-V345 HydrophobicContact CG1-CG2 3.81Å; V299-V345 HydrophobicContact CG2-CG2 3.92Å; V299-Q348 HydrophobicContact CG1-CG 4.13Å |
| 300 | P | 92.6 | Very high | 92.5 | Very high | 48 Ų | 48 | 27.1 Ų | 27.1 | 31% | 0.312 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -69.4 | -15.9 | 179.3 | -19.5 | 33.7 | 0 | 0 | 0 | 114.7 | T296 L298 | T296-P300 WeakPolarHBondContact O-CD 3.27Å; T296-P300 WeakPolarHBondContact O-CG 3.22Å; L298-P300 VanDerWaalsContact C-CD 3.5Å; L298-P300 VanDerWaalsContact C-N 3.35Å |
| 301 | K | 93.3 | Very high | 93 | Very high | 66 Ų | 66 | 28.5 Ų | 28.5 | 29% | 0.287 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -97.9 | -26.6 | 175.6 | -47.4 | -58.5 | -178.4 | -171.5 | 0 | 111.7 | D135 M261 L264 R297 L298 V299 N304 | D135-K301 IonicContact OD2-NZ 2.66Å; D135-K301 PolarHBondContact OD2-NZ 3.39Å; M261-K301 HydrophobicContact CE-CG 4.38Å; M261-K301 HydrophobicContact SD-CG 3.95Å; L264-K301 HydrophobicContact CD1-CB 4.04Å; R297-K301 WeakPolarHBondContact O-CG 3.23Å; L298-K301 CarbonylContact O-C 3.53Å; L298-K301 WeakPolarHBondContact O-CA 3.41Å; L298-K301 PolarHBondContact O-N 3.33Å; V299-K301 PolarHBondContact O-N 3.03Å; K301-N304 PolarHBondContact O-ND2 3.2Å |
| 302 | L | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -85.4 | -34.8 | 178.7 | -69.1 | 167.1 | 0 | 0 | 0 | 113.3 | L264 L282 L298 V299 N304 V307 F317 L321 | L264-L302 HydrophobicContact CD1-CD2 3.69Å; L264-L302 HydrophobicContact CD1-CG 4.05Å; L264-L302 HydrophobicContact CD2-CD2 4.09Å; L282-L302 HydrophobicContact CD2-CD2 3.84Å; L298-L302 HydrophobicContact CB-CD1 3.77Å; L298-L302 WeakPolarHBondContact O-CB 3.2Å; L298-L302 WeakPolarHBondContact O-CG 3.39Å; L298-L302 PolarHBondContact O-N 3.28Å; V299-L302 PolarHBondContact O-N 3.21Å; L302-N304 VanDerWaalsContact C-N 3.3Å; L302-N304 PolarHBondContact O-N 3.46Å; L302-N304 VanDerWaalsContact O-N 3.1Å; L302-V307 WeakPolarHBondContact O-CB 3.22Å; L302-V307 WeakPolarHBondContact O-CG1 3.39Å; L302-F317 HydrophobicContact CB-CE1 4.39Å; L302-F317 HydrophobicContact CD1-CE1 3.82Å; L302-F317 HydrophobicContact CD1-CZ 3.76Å; L302-F317 HydrophobicContact CD2-CE1 3.88Å; L302-F317 HydrophobicContact CD2-CZ 4.4Å; L302-F317 HydrophobicContact CG-CE1 4.25Å; L302-L321 HydrophobicContact CB-CD2 3.7Å; L302-L321 HydrophobicContact CD1-CD2 4.15Å |
| 303 | L | 95.7 | Very high | 93.9 | Very high | 8 Ų | 8 | 22.2 Ų | 22.2 | 4% | 0.042 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -87.2 | 67.8 | 176.6 | -61.9 | -174.8 | 0 | 0 | 0 | 111.1 | V299 F308 L318 L321 L322 V345 Q348 L352 | V299-L303 HydrophobicContact CG1-CD1 3.81Å; V299-L303 HydrophobicContact CG1-CG 4.31Å; V299-L303 WeakPolarHBondContact O-CB 3.42Å; V299-L303 PolarHBondContact O-N 3.14Å; L303-F308 HydrophobicContact CD2-CE1 3.85Å; L303-F308 HydrophobicContact CD2-CZ 4.04Å; L303-L318 HydrophobicContact CD2-CD2 4.39Å; L303-L321 HydrophobicContact CD2-CD2 3.67Å; L303-L321 HydrophobicContact CD2-CG 4.3Å; L303-L321 HydrophobicContact CG-CD2 4.04Å; L303-L322 HydrophobicContact CD2-CD2 4.09Å; L303-V345 HydrophobicContact CD1-CB 4.27Å; L303-V345 HydrophobicContact CD1-CG1 3.73Å; L303-V345 HydrophobicContact CD1-CG2 4.24Å; L303-Q348 HydrophobicContact CB-CB 4.04Å; L303-Q348 HydrophobicContact CB-CG 4.5Å; L303-Q348 HydrophobicContact CD1-CB 4.01Å; L303-Q348 HydrophobicContact CD1-CG 4.37Å; L303-L352 HydrophobicContact CB-CD1 4.05Å |
| 304 | N | 93.6 | Very high | 94.3 | Very high | 50 Ų | 50 | 24 Ų | 24 | 27% | 0.267 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -135.6 | 158.3 | 177 | 91.7 | 74.6 | 0 | 0 | 0 | 112.2 | K301 L302 M306 V307 F308 | K301-N304 PolarHBondContact O-ND2 3.2Å; L302-N304 VanDerWaalsContact C-N 3.3Å; L302-N304 PolarHBondContact O-N 3.46Å; L302-N304 VanDerWaalsContact O-N 3.1Å; N304-M306 VanDerWaalsContact C-N 3.29Å; N304-M306 PolarHBondContact O-N 3.43Å; N304-M306 WeakPolarHBondContact OD1-CA 3.5Å; N304-M306 VanDerWaalsContact OD1-CB 3.28Å; N304-M306 WeakPolarHBondContact OD1-CB 3.42Å; N304-M306 PolarHBondContact OD1-N 3.2Å; N304-V307 WeakPolarHBondContact ND2-CG2 3.38Å; N304-V307 PolarHBondContact O-N 3.2Å; N304-V307 VanDerWaalsContact O-N 3.15Å; N304-F308 WeakPolarHBondContact O-CD1 3.37Å; N304-F308 PolarHBondContact O-N 3.1Å; N304-F308 VanDerWaalsContact O-N 3.12Å |
| 305 | G | 94.2 | Very high | 94.5 | Very high | 14 Ų | 14 | 31 Ų | 31 | 14% | 0.144 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.3 | -32.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | F308 A309 H359 | G305-F308 PolarHBondContact O-N 3.26Å; G305-A309 PolarHBondContact O-N 3.41Å; G305-A309 VanDerWaalsContact O-N 3.11Å; G305-H359 PolarHBondContact O-NE2 3.46Å |
| 306 | M | 94.5 | Very high | 94.5 | Very high | 95 Ų | 95 | 32.9 Ų | 32.9 | 47% | 0.468 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -67.6 | -45.9 | 176.4 | -54.7 | -53.3 | -55.2 | 0 | 0 | 111.3 | L267 T268 N304 F308 A309 E310 | L267-M306 HydrophobicContact CD2-CB 4.14Å; T268-M306 HydrophobicContact CG2-CE 4.22Å; N304-M306 VanDerWaalsContact C-N 3.29Å; N304-M306 PolarHBondContact O-N 3.43Å; N304-M306 WeakPolarHBondContact OD1-CA 3.5Å; N304-M306 VanDerWaalsContact OD1-CB 3.28Å; N304-M306 WeakPolarHBondContact OD1-CB 3.42Å; N304-M306 PolarHBondContact OD1-N 3.2Å; M306-F308 PolarHBondContact O-N 2.79Å; M306-A309 WeakPolarHBondContact O-CB 3.14Å; M306-A309 PolarHBondContact O-N 2.92Å; M306-E310 WeakPolarHBondContact O-CG 3.32Å; M306-E310 PolarHBondContact O-N 3.1Å |
| 307 | V | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.1 | -29 | 177.1 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | L264 L267 F279 L302 N304 A309 E310 A313 L318 | L264-V307 HydrophobicContact CD2-CG2 4.1Å; L267-V307 HydrophobicContact CD2-CG2 3.82Å; F279-V307 HydrophobicContact CE1-CG1 3.96Å; F279-V307 HydrophobicContact CE1-CG2 4.38Å; F279-V307 HydrophobicContact CZ-CG1 4.3Å; F279-V307 HydrophobicContact CZ-CG2 4.17Å; L302-V307 WeakPolarHBondContact O-CB 3.22Å; L302-V307 WeakPolarHBondContact O-CG1 3.39Å; N304-V307 WeakPolarHBondContact ND2-CG2 3.38Å; N304-V307 PolarHBondContact O-N 3.2Å; N304-V307 VanDerWaalsContact O-N 3.15Å; V307-A309 VanDerWaalsContact C-N 3.29Å; V307-E310 PolarHBondContact O-N 3.08Å; V307-A313 HydrophobicContact CG1-CB 3.95Å; V307-A313 WeakPolarHBondContact O-CB 3.41Å; V307-L318 HydrophobicContact CG1-CD2 4.29Å |
| 308 | F | 96.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -76.1 | -15.1 | 174.7 | -81.9 | 47.5 | 0 | 0 | 0 | 113.1 | L303 N304 G305 M306 V314 L318 L322 L352 V360 V363 L364 | L303-F308 HydrophobicContact CD2-CE1 3.85Å; L303-F308 HydrophobicContact CD2-CZ 4.04Å; N304-F308 WeakPolarHBondContact O-CD1 3.37Å; N304-F308 PolarHBondContact O-N 3.1Å; N304-F308 VanDerWaalsContact O-N 3.12Å; G305-F308 PolarHBondContact O-N 3.26Å; M306-F308 PolarHBondContact O-N 2.79Å; F308-V314 WeakPolarHBondContact O-CG2 3.17Å; F308-L318 HydrophobicContact CD1-CD1 3.6Å; F308-L318 HydrophobicContact CD1-CD2 4.32Å; F308-L318 HydrophobicContact CD2-CD1 4.48Å; F308-L318 HydrophobicContact CE1-CD1 3.68Å; F308-L318 HydrophobicContact CE1-CD2 3.81Å; F308-L318 HydrophobicContact CE1-CG 4.43Å; F308-L318 HydrophobicContact CG-CD1 4.01Å; F308-L318 HydrophobicContact CZ-CD1 4.18Å; F308-L322 HydrophobicContact CZ-CD2 4.49Å; F308-L352 HydrophobicContact CE1-CD1 4.12Å; F308-L352 HydrophobicContact CE2-CD1 4.08Å; F308-L352 HydrophobicContact CZ-CD1 3.72Å; F308-V360 HydrophobicContact CB-CG2 4.13Å; F308-V360 HydrophobicContact CD2-CG1 4.11Å; F308-V363 HydrophobicContact CD2-CB 3.73Å; F308-V363 HydrophobicContact CD2-CG1 3.63Å; F308-V363 HydrophobicContact CD2-CG2 4.4Å; F308-V363 HydrophobicContact CE2-CB 4.09Å; F308-V363 HydrophobicContact CE2-CG1 3.62Å; F308-V363 HydrophobicContact CG-CG1 4.39Å; F308-V363 HydrophobicContact CZ-CG1 4.37Å; F308-L364 HydrophobicContact CE2-CD2 4.07Å; F308-L364 HydrophobicContact CE2-CG 4.17Å |
| 309 | A | 95.7 | Very high | 95.1 | Very high | 46 Ų | 46 | 32.7 Ų | 32.7 | 38% | 0.38 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -84.5 | -23.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G305 M306 V307 P311 | G305-A309 PolarHBondContact O-N 3.41Å; G305-A309 VanDerWaalsContact O-N 3.11Å; M306-A309 WeakPolarHBondContact O-CB 3.14Å; M306-A309 PolarHBondContact O-N 2.92Å; V307-A309 VanDerWaalsContact C-N 3.29Å; A309-P311 VanDerWaalsContact O-CD 3.22Å; A309-P311 WeakPolarHBondContact O-CD 3.33Å |
| 310 | E | 96.8 | Very high | 95 | Very high | 16 Ų | 16 | 35.2 Ų | 35.2 | 8% | 0.075 | 19% | 0.192 | C | C | . | . | trans | -76.1 | 109.3 | -175.3 | -64.8 | -68.5 | 165.4 | 0 | 0 | 111.1 | K275 F279 M306 V307 T312 A313 V314 | K275-E310 WeakPolarHBondContact CD-OE1 3.25Å; K275-E310 WeakPolarHBondContact CE-OE1 3.36Å; K275-E310 IonicContact NZ-OE1 3.94Å; K275-E310 PolarHBondContact NZ-OE1 3.1Å; F279-E310 HydrophobicContact CD2-CB 4.02Å; F279-E310 HydrophobicContact CD2-CG 4.3Å; F279-E310 HydrophobicContact CE2-CB 3.8Å; F279-E310 HydrophobicContact CE2-CG 3.64Å; F279-E310 HydrophobicContact CZ-CB 4.48Å; F279-E310 HydrophobicContact CZ-CG 4.26Å; M306-E310 WeakPolarHBondContact O-CG 3.32Å; M306-E310 PolarHBondContact O-N 3.1Å; V307-E310 PolarHBondContact O-N 3.08Å; E310-T312 PolarHBondContact O-N 2.95Å; E310-T312 VanDerWaalsContact O-N 3.08Å; E310-A313 HydrophobicContact CB-CB 3.88Å; E310-A313 WeakPolarHBondContact O-CB 3.5Å; E310-A313 PolarHBondContact O-N 2.71Å; E310-V314 PolarHBondContact O-N 3.03Å; E310-V314 VanDerWaalsContact O-N 3.13Å | ||
| 311 | P | 95.7 | Very high | 95.1 | Very high | 67 Ų | 67 | 33 Ų | 33 | 44% | 0.435 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.9 | -28.3 | -167.4 | -26.2 | 37.1 | 0 | 0 | 0 | 114.1 | A309 R315 | A309-P311 VanDerWaalsContact O-CD 3.22Å; A309-P311 WeakPolarHBondContact O-CD 3.33Å; P311-R315 WeakPolarHBondContact O-CB 3.24Å; P311-R315 WeakPolarHBondContact O-CG 3.17Å; P311-R315 VanDerWaalsContact O-CZ 3.24Å; P311-R315 PolarHBondContact O-N 3.21Å; P311-R315 VanDerWaalsContact O-N 3.14Å; P311-R315 PolarHBondContact O-NE 2.84Å; P311-R315 PolarHBondContact O-NH2 3.17Å |
| 312 | T | 96.6 | Very high | 95.2 | Very high | 11 Ų | 11 | 29.9 Ų | 29.9 | 7% | 0.067 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -80.4 | -28.7 | 176.8 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | N276 F279 K280 E310 R315 S316 | N276-T312 WeakPolarHBondContact OD1-CB 3.27Å; N276-T312 PolarHBondContact OD1-OG1 3.47Å; F279-T312 HydrophobicContact CB-CG2 4.1Å; K280-T312 HydrophobicContact CB-CG2 4.19Å; E310-T312 PolarHBondContact O-N 2.95Å; E310-T312 VanDerWaalsContact O-N 3.08Å; T312-R315 PolarHBondContact O-N 3.21Å; T312-R315 PolarHBondContact OG1-NH1 3.15Å; T312-R315 VanDerWaalsContact OG1-NH1 3.09Å; T312-R315 PolarHBondContact OG1-NH2 3.42Å; T312-S316 WeakPolarHBondContact O-CB 3.49Å; T312-S316 PolarHBondContact O-N 2.79Å |
| 313 | A | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -63.9 | -45.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111 | F279 V307 E310 R315 F317 L318 | F279-A313 HydrophobicContact CB-CB 4.11Å; F279-A313 HydrophobicContact CD1-CB 3.5Å; F279-A313 VanDerWaalsContact CD1-CB 3.5Å; F279-A313 HydrophobicContact CD2-CB 4.05Å; F279-A313 HydrophobicContact CE1-CB 3.86Å; F279-A313 HydrophobicContact CE2-CB 4.39Å; F279-A313 HydrophobicContact CG-CB 3.62Å; F279-A313 HydrophobicContact CZ-CB 4.3Å; V307-A313 HydrophobicContact CG1-CB 3.95Å; V307-A313 WeakPolarHBondContact O-CB 3.41Å; E310-A313 HydrophobicContact CB-CB 3.88Å; E310-A313 WeakPolarHBondContact O-CB 3.5Å; E310-A313 PolarHBondContact O-N 2.71Å; A313-R315 VanDerWaalsContact C-N 3.33Å; A313-R315 PolarHBondContact O-N 3.46Å; A313-F317 PolarHBondContact O-N 3.5Å; A313-L318 PolarHBondContact O-N 3.45Å |
| 314 | V | 96.2 | Very high | 94.8 | Very high | 38 Ų | 38 | 32.3 Ų | 32.3 | 23% | 0.23 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -61 | -39.3 | 177.2 | 176.6 | 0 | 0 | 0 | 0 | 112.2 | F308 E310 L318 P319 V363 | F308-V314 WeakPolarHBondContact O-CG2 3.17Å; E310-V314 PolarHBondContact O-N 3.03Å; E310-V314 VanDerWaalsContact O-N 3.13Å; V314-L318 HydrophobicContact CG2-CD1 4.11Å; V314-P319 WeakPolarHBondContact O-CD 3.48Å; V314-V363 HydrophobicContact CB-CG2 4.44Å; V314-V363 HydrophobicContact CG1-CG2 3.8Å; V314-V363 HydrophobicContact CG2-CG2 3.71Å |
| 315 | R | 94.6 | Very high | 94.4 | Very high | 150 Ų | 150 | 32.5 Ų | 32.5 | 57% | 0.566 | 18% | 0.176 | S | C | * | . | I | π-helix | trans | -81.3 | -42.5 | -179 | -75.7 | -178 | -85.7 | 91.8 | -2.1 | 114.3 | P311 T312 A313 | P311-R315 WeakPolarHBondContact O-CB 3.24Å; P311-R315 WeakPolarHBondContact O-CG 3.17Å; P311-R315 VanDerWaalsContact O-CZ 3.24Å; P311-R315 PolarHBondContact O-N 3.21Å; P311-R315 VanDerWaalsContact O-N 3.14Å; P311-R315 PolarHBondContact O-NE 2.84Å; P311-R315 PolarHBondContact O-NH2 3.17Å; T312-R315 PolarHBondContact O-N 3.21Å; T312-R315 PolarHBondContact OG1-NH1 3.15Å; T312-R315 VanDerWaalsContact OG1-NH1 3.09Å; T312-R315 PolarHBondContact OG1-NH2 3.42Å; A313-R315 VanDerWaalsContact C-N 3.33Å; A313-R315 PolarHBondContact O-N 3.46Å |
| 316 | S | 93.3 | Very high | 93.7 | Very high | 41 Ų | 41 | 36.1 Ų | 36.1 | 29% | 0.287 | 19% | 0.188 | S | C | . | . | I | π-helix | trans | -105.2 | -25.1 | -167.1 | -63.8 | 0 | 0 | 0 | 0 | 114.4 | T312 H320 | T312-S316 WeakPolarHBondContact O-CB 3.49Å; T312-S316 PolarHBondContact O-N 2.79Å; S316-H320 PolarHBondContact O-CE1 2.75Å; S316-H320 VanDerWaalsContact O-CE1 3.26Å; S316-H320 PolarHBondContact O-ND1 3.45Å |
| 317 | F | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -120 | -50.5 | -169.7 | -178.1 | -103.4 | 0 | 0 | 0 | 114.4 | L282 L283 V286 L302 A313 P319 H320 L321 L335 | L282-F317 HydrophobicContact CB-CD2 4.02Å; L282-F317 HydrophobicContact CB-CE2 4.46Å; L282-F317 HydrophobicContact CB-CG 4.38Å; L282-F317 HydrophobicContact CD2-CD1 3.71Å; L282-F317 HydrophobicContact CD2-CD2 3.88Å; L282-F317 HydrophobicContact CD2-CE1 3.82Å; L282-F317 HydrophobicContact CD2-CE2 4Å; L282-F317 HydrophobicContact CD2-CG 3.74Å; L282-F317 HydrophobicContact CD2-CZ 3.98Å; L282-F317 HydrophobicContact CG-CD1 4.47Å; L282-F317 HydrophobicContact CG-CD2 3.74Å; L282-F317 HydrophobicContact CG-CE1 4.46Å; L282-F317 HydrophobicContact CG-CE2 3.75Å; L282-F317 HydrophobicContact CG-CG 4.12Å; L282-F317 HydrophobicContact CG-CZ 4.13Å; L283-F317 HydrophobicContact CB-CD2 4.27Å; L283-F317 HydrophobicContact CD1-CD2 4.43Å; L283-F317 HydrophobicContact CD1-CE2 4.45Å; V286-F317 HydrophobicContact CB-CE2 4.31Å; V286-F317 HydrophobicContact CG2-CE2 4.33Å; L302-F317 HydrophobicContact CB-CE1 4.39Å; L302-F317 HydrophobicContact CD1-CE1 3.82Å; L302-F317 HydrophobicContact CD1-CZ 3.76Å; L302-F317 HydrophobicContact CD2-CE1 3.88Å; L302-F317 HydrophobicContact CD2-CZ 4.4Å; L302-F317 HydrophobicContact CG-CE1 4.25Å; A313-F317 PolarHBondContact O-N 3.5Å; F317-P319 VanDerWaalsContact C-N 3.34Å; F317-H320 WeakPolarHBondContact O-CB 3.39Å; F317-H320 PolarHBondContact O-N 3.31Å; F317-L321 HydrophobicContact CE1-CB 4.09Å; F317-L321 HydrophobicContact CE1-CD2 3.77Å; F317-L321 HydrophobicContact CE1-CG 4.45Å; F317-L321 HydrophobicContact CZ-CB 4.29Å; F317-L321 HydrophobicContact CZ-CD2 4.26Å; F317-L321 PolarHBondContact O-N 3.15Å; F317-L335 HydrophobicContact CE2-CD1 3.86Å; F317-L335 HydrophobicContact CZ-CD1 4.01Å |
| 318 | L | 95.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.2 | -32 | -177.6 | -66.8 | -177.5 | 0 | 0 | 0 | 114.9 | L303 V307 F308 A313 V314 H320 L321 L322 V363 | L303-L318 HydrophobicContact CD2-CD2 4.39Å; V307-L318 HydrophobicContact CG1-CD2 4.29Å; F308-L318 HydrophobicContact CD1-CD1 3.6Å; F308-L318 HydrophobicContact CD1-CD2 4.32Å; F308-L318 HydrophobicContact CD2-CD1 4.48Å; F308-L318 HydrophobicContact CE1-CD1 3.68Å; F308-L318 HydrophobicContact CE1-CD2 3.81Å; F308-L318 HydrophobicContact CE1-CG 4.43Å; F308-L318 HydrophobicContact CG-CD1 4.01Å; F308-L318 HydrophobicContact CZ-CD1 4.18Å; A313-L318 PolarHBondContact O-N 3.45Å; V314-L318 HydrophobicContact CG2-CD1 4.11Å; L318-H320 PolarHBondContact O-N 2.97Å; L318-L321 PolarHBondContact O-N 2.98Å; L318-L322 HydrophobicContact CB-CD1 4.26Å; L318-L322 VanDerWaalsContact O-CB 3.23Å; L318-L322 WeakPolarHBondContact O-CB 3.36Å; L318-L322 VanDerWaalsContact O-CG 3.23Å; L318-L322 WeakPolarHBondContact O-CG 3.47Å; L318-L322 PolarHBondContact O-N 3.18Å; L318-V363 HydrophobicContact CD1-CG1 3.99Å |
| 319 | P | 93.3 | Very high | 87.2 | Confident | 35 Ų | 35 | 48.4 Ų | 48.4 | 23% | 0.227 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.5 | -31.8 | 174.3 | -25.6 | 36.2 | 0 | 0 | 0 | 113.5 | V314 F317 K323 | V314-P319 WeakPolarHBondContact O-CD 3.48Å; F317-P319 VanDerWaalsContact C-N 3.34Å; P319-K323 VanDerWaalsContact O-CB 3.23Å; P319-K323 WeakPolarHBondContact O-CB 3.4Å |
| 320 | H | 92.9 | Very high | 84.7 | Confident | 52 Ų | 52 | 48.7 Ų | 48.7 | 24% | 0.241 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -82.2 | -36.4 | -179.7 | -54.1 | 106.8 | 0 | 0 | 0 | 112 | L283 S316 F317 L318 E333 | L283-H320 HydrophobicContact CD1-CB 3.65Å; L283-H320 HydrophobicContact CD2-CB 4.43Å; S316-H320 PolarHBondContact O-CE1 2.75Å; S316-H320 VanDerWaalsContact O-CE1 3.26Å; S316-H320 PolarHBondContact O-ND1 3.45Å; F317-H320 WeakPolarHBondContact O-CB 3.39Å; F317-H320 PolarHBondContact O-N 3.31Å; L318-H320 PolarHBondContact O-N 2.97Å; H320-E333 WeakPolarHBondContact CB-O 3.45Å; H320-E333 PolarHBondContact CD2-O 3.32Å |
| 321 | L | 94.6 | Very high | 82.3 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -76.6 | -35 | 176.7 | -171.5 | 64.1 | 0 | 0 | 0 | 113.1 | V299 L302 L303 F317 L318 K323 L335 L336 | V299-L321 HydrophobicContact CG2-CD1 3.99Å; L302-L321 HydrophobicContact CB-CD2 3.7Å; L302-L321 HydrophobicContact CD1-CD2 4.15Å; L303-L321 HydrophobicContact CD2-CD2 3.67Å; L303-L321 HydrophobicContact CD2-CG 4.3Å; L303-L321 HydrophobicContact CG-CD2 4.04Å; F317-L321 HydrophobicContact CE1-CB 4.09Å; F317-L321 HydrophobicContact CE1-CD2 3.77Å; F317-L321 HydrophobicContact CE1-CG 4.45Å; F317-L321 HydrophobicContact CZ-CB 4.29Å; F317-L321 HydrophobicContact CZ-CD2 4.26Å; F317-L321 PolarHBondContact O-N 3.15Å; L318-L321 PolarHBondContact O-N 2.98Å; L321-K323 VanDerWaalsContact C-N 3.26Å; L321-K323 PolarHBondContact O-N 3.48Å; L321-L335 HydrophobicContact CB-CD1 4.41Å; L321-L335 HydrophobicContact CD1-CD1 4.06Å; L321-L336 HydrophobicContact CD1-CD1 4.23Å |
| 322 | L | 94.6 | Very high | 80.5 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -78.8 | -8.4 | 178.3 | -66.6 | 174.9 | 0 | 0 | 0 | 112.9 | L303 F308 L318 Y341 L349 V363 H367 | L303-L322 HydrophobicContact CD2-CD2 4.09Å; F308-L322 HydrophobicContact CZ-CD2 4.49Å; L318-L322 HydrophobicContact CB-CD1 4.26Å; L318-L322 VanDerWaalsContact O-CB 3.23Å; L318-L322 WeakPolarHBondContact O-CB 3.36Å; L318-L322 VanDerWaalsContact O-CG 3.23Å; L318-L322 WeakPolarHBondContact O-CG 3.47Å; L318-L322 PolarHBondContact O-N 3.18Å; L322-Y341 WeakPolarHBondContact O-CE2 3.36Å; L322-Y341 PolarHBondContact O-OH 3.43Å; L322-L349 HydrophobicContact CD2-CD2 3.74Å; L322-V363 HydrophobicContact CD1-CG1 4.35Å; L322-H367 HydrophobicContact CB-CB 4.5Å; L322-H367 HydrophobicContact CD1-CB 3.91Å |
| 323 | K | 92.4 | Very high | 79.1 | Confident | 54 Ų | 54 | 61.9 Ų | 61.9 | 24% | 0.235 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -96.8 | 114.6 | -179.7 | -176.1 | 168.3 | 177.9 | 172.4 | 0 | 111.3 | P319 L321 N325 E332 V370 | P319-K323 VanDerWaalsContact O-CB 3.23Å; P319-K323 WeakPolarHBondContact O-CB 3.4Å; L321-K323 VanDerWaalsContact C-N 3.26Å; L321-K323 PolarHBondContact O-N 3.48Å; K323-N325 PolarHBondContact O-N 2.99Å; K323-E332 IonicContact NZ-OE1 2.67Å; K323-E332 PolarHBondContact NZ-OE1 3.06Å; K323-E332 IonicContact NZ-OE2 3.08Å; K323-E332 PolarHBondContact NZ-OE2 2.72Å; K323-V370 HydrophobicContact CB-CG1 3.86Å; K323-V370 HydrophobicContact CD-CG1 4.47Å; K323-V370 HydrophobicContact CG-CG1 3.82Å |
| 324 | P | 90.9 | Very high | 78.1 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.032 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 131.4 | 172.1 | 31.1 | -35.9 | 0 | 0 | 0 | 109.5 | K326 Y341 | P324-K326 PolarHBondContact O-N 3.19Å; P324-K326 VanDerWaalsContact O-N 3.11Å; P324-Y341 HydrophobicContact CB-CD1 4.13Å; P324-Y341 HydrophobicContact CB-CD2 3.83Å; P324-Y341 HydrophobicContact CB-CE2 4.19Å; P324-Y341 HydrophobicContact CB-CG 3.8Å |
| 325 | N | 86.1 | Confident | 77.6 | Confident | 55 Ų | 55 | 61.8 Ų | 61.8 | 29% | 0.294 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 108.7 | 170.6 | -167.4 | -9.6 | 0 | 0 | 0 | 108.8 | K323 C334 L336 V338 | K323-N325 PolarHBondContact O-N 2.99Å; N325-C334 HydrophobicContact CB-CB 3.55Å; N325-L336 VanDerWaalsContact CB-O 3.23Å; N325-L336 WeakPolarHBondContact CB-O 3.27Å; N325-L336 PolarHBondContact N-O 3.5Å; N325-V338 WeakPolarHBondContact O-CG2 3.27Å; N325-V338 PolarHBondContact O-N 3.17Å |
| 326 | K | 78.9 | Confident | 77.5 | Confident | 89 Ų | 89 | 54.7 Ų | 54.7 | 39% | 0.387 | 34% | 0.336 | S | S | . | . | trans | -105 | 104.8 | 175.5 | -63.5 | 176.3 | -171.2 | 172.6 | 0 | 106.7 | P324 C328 V338 E373 | P324-K326 PolarHBondContact O-N 3.19Å; P324-K326 VanDerWaalsContact O-N 3.11Å; K326-C328 WeakPolarHBondContact O-CB 3.41Å; K326-C328 PolarHBondContact O-N 3.45Å; K326-V338 HydrophobicContact CG-CG2 4.09Å; K326-E373 IonicContact NZ-OE2 3.25Å; K326-E373 PolarHBondContact NZ-OE2 3.03Å | ||
| 327 | D | 60.8 | Low | 77.4 | Confident | 139 Ų | 139 | 54 Ų | 54 | 74% | 0.743 | 33% | 0.331 | S | S | * | . | trans | -52.5 | 89.3 | -169 | -59.2 | -81.5 | 0 | 0 | 0 | 114.7 | ||||
| 328 | C | 42.4 | Very low | 77.3 | Confident | 123 Ų | 123 | 56 Ų | 56 | 83% | 0.831 | 34% | 0.343 | S | S | * | . | trans | -141.1 | 36.2 | -172.8 | -87.1 | 0 | 0 | 0 | 0 | 113.6 | K326 G330 | K326-C328 WeakPolarHBondContact O-CB 3.41Å; K326-C328 PolarHBondContact O-N 3.45Å; C328-G330 PolarHBondContact O-N 2.82Å; C328-G330 VanDerWaalsContact O-N 3.15Å | ||
| 329 | G | 47.4 | Very low | 77.1 | Confident | 93 Ų | 93 | 59.9 Ų | 59.9 | 96% | 0.959 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 64.7 | 26 | 152.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 330 | G | 42.9 | Very low | 77.1 | Confident | 52 Ų | 52 | 59.1 Ų | 59.1 | 54% | 0.536 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -154.6 | 106.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | C328 E332 | C328-G330 PolarHBondContact O-N 2.82Å; C328-G330 VanDerWaalsContact O-N 3.15Å; G330-E332 VanDerWaalsContact C-N 3.3Å; G330-E332 PolarHBondContact O-N 3.47Å |
| 331 | S | 48.2 | Very low | 77.2 | Confident | 135 Ų | 135 | 56.7 Ų | 56.7 | 94% | 0.944 | 35% | 0.353 | S | S | * | . | trans | 42.8 | 30.1 | 136.1 | -158.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 332 | E | 56.5 | Low | 77.2 | Confident | 129 Ų | 129 | 62.8 Ų | 62.8 | 60% | 0.603 | 38% | 0.376 | S | S | * | . | trans | -125.7 | 125.4 | 175.4 | -63.4 | -168.8 | 104.3 | 0 | 0 | 110.7 | K323 G330 C334 | K323-E332 IonicContact NZ-OE1 2.67Å; K323-E332 PolarHBondContact NZ-OE1 3.06Å; K323-E332 IonicContact NZ-OE2 3.08Å; K323-E332 PolarHBondContact NZ-OE2 2.72Å; G330-E332 VanDerWaalsContact C-N 3.3Å; G330-E332 PolarHBondContact O-N 3.47Å; E332-C334 VanDerWaalsContact C-N 3.32Å; E332-C334 PolarHBondContact O-N 3Å; E332-C334 PolarHBondContact O-SG 3.14Å; E332-C334 VanDerWaalsContact O-SG 3.32Å | ||
| 333 | E | 66.7 | Low | 77.3 | Confident | 107 Ų | 107 | 67.9 Ų | 67.9 | 50% | 0.5 | 40% | 0.398 | S | S | . | . | trans | -71.9 | 77.8 | -172.4 | -69 | 157.5 | -174.7 | 0 | 0 | 111.6 | L283 H320 | L283-E333 HydrophobicContact CD2-CB 4.22Å; L283-E333 VanDerWaalsContact CD2-OE2 3.27Å; L283-E333 WeakPolarHBondContact CD2-OE2 3.12Å; H320-E333 WeakPolarHBondContact CB-O 3.45Å; H320-E333 PolarHBondContact CD2-O 3.32Å | ||
| 334 | C | 76.3 | Confident | 77.4 | Confident | 21 Ų | 21 | 67.5 Ų | 67.5 | 14% | 0.142 | 40% | 0.397 | C | S | . | . | trans | -101.9 | 113.4 | -176.4 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | N325 E332 L336 | N325-C334 HydrophobicContact CB-CB 3.55Å; E332-C334 VanDerWaalsContact C-N 3.32Å; E332-C334 PolarHBondContact O-N 3Å; E332-C334 PolarHBondContact O-SG 3.14Å; E332-C334 VanDerWaalsContact O-SG 3.32Å; C334-L336 PolarHBondContact O-N 2.89Å | ||
| 335 | L | 87.1 | Confident | 77.6 | Confident | 15 Ų | 15 | 67.2 Ų | 67.2 | 8% | 0.079 | 40% | 0.395 | C | S | . | . | trans | -72 | -22.5 | -167.3 | -69.2 | 175.1 | 0 | 0 | 0 | 116.1 | L283 V286 Q287 F317 L321 | L283-L335 HydrophobicContact CD1-CD1 4.11Å; L283-L335 HydrophobicContact CD1-CD2 4Å; L283-L335 HydrophobicContact CD1-CG 4.12Å; V286-L335 HydrophobicContact CG1-CD1 3.88Å; V286-L335 HydrophobicContact CG1-CD2 4.04Å; Q287-L335 HydrophobicContact CB-CD2 4.04Å; F317-L335 HydrophobicContact CE2-CD1 3.86Å; F317-L335 HydrophobicContact CZ-CD1 4.01Å; L321-L335 HydrophobicContact CB-CD1 4.41Å; L321-L335 HydrophobicContact CD1-CD1 4.06Å | ||
| 336 | L | 91.8 | Very high | 78.1 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 131.7 | -168.8 | -63 | 174.3 | 0 | 0 | 0 | 112.3 | E291 I294 A295 V299 L321 N325 C334 V345 | E291-L336 HydrophobicContact CG-CD2 3.73Å; I294-L336 HydrophobicContact CB-CD2 4.17Å; I294-L336 HydrophobicContact CG2-CD2 4.11Å; A295-L336 HydrophobicContact CB-CD2 3.74Å; V299-L336 HydrophobicContact CG2-CD1 3.68Å; L321-L336 HydrophobicContact CD1-CD1 4.23Å; N325-L336 VanDerWaalsContact CB-O 3.23Å; N325-L336 WeakPolarHBondContact CB-O 3.27Å; N325-L336 PolarHBondContact N-O 3.5Å; C334-L336 PolarHBondContact O-N 2.89Å; L336-V345 HydrophobicContact CD1-CG2 3.58Å |
| 337 | S | 91.6 | Very high | 79 | Confident | 26 Ų | 26 | 63 Ų | 63 | 18% | 0.182 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 156.6 | 170.4 | 68.2 | 0 | 0 | 0 | 0 | 112.3 | E291 S339 L340 Y341 | E291-S337 WeakPolarHBondContact OE1-CB 3.2Å; E291-S337 PolarHBondContact OE1-N 3.47Å; E291-S337 PolarHBondContact OE1-OG 2.95Å; S337-S339 PolarHBondContact O-N 2.86Å; S337-S339 VanDerWaalsContact O-N 3.09Å; S337-S339 PolarHBondContact OG-OG 3.21Å; S337-S339 VanDerWaalsContact OG-OG 3.06Å; S337-L340 PolarHBondContact O-N 2.85Å; S337-Y341 WeakPolarHBondContact O-CB 3.48Å; S337-Y341 PolarHBondContact O-N 3.47Å |
| 338 | V | 91.8 | Very high | 80.7 | Confident | 42 Ų | 42 | 58 Ų | 58 | 26% | 0.255 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.6 | -29.3 | -179.8 | -165.8 | 0 | 0 | 0 | 0 | 113 | N325 K326 R342 | N325-V338 WeakPolarHBondContact O-CG2 3.27Å; N325-V338 PolarHBondContact O-N 3.17Å; K326-V338 HydrophobicContact CG-CG2 4.09Å; V338-R342 WeakPolarHBondContact O-CB 3.35Å; V338-R342 WeakPolarHBondContact O-CG 3.36Å; V338-R342 PolarHBondContact O-N 3.22Å; V338-R342 VanDerWaalsContact O-N 3.13Å |
| 339 | S | 92.5 | Very high | 83.3 | Confident | 81 Ų | 81 | 52.1 Ų | 52.1 | 57% | 0.566 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -72.5 | -52.9 | 179.4 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | S337 R342 K343 | S337-S339 PolarHBondContact O-N 2.86Å; S337-S339 VanDerWaalsContact O-N 3.09Å; S337-S339 PolarHBondContact OG-OG 3.21Å; S337-S339 VanDerWaalsContact OG-OG 3.06Å; S339-R342 PolarHBondContact O-N 3.41Å; S339-K343 WeakPolarHBondContact O-CB 3.38Å; S339-K343 PolarHBondContact O-N 2.94Å |
| 340 | L | 92.8 | Very high | 85.7 | Confident | 20 Ų | 20 | 48.5 Ų | 48.5 | 11% | 0.105 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.4 | -33.8 | 178.9 | -61.5 | -163.9 | 0 | 0 | 0 | 112 | E291 E292 A295 S337 R342 K343 H344 | E291-L340 HydrophobicContact CB-CD1 4.33Å; E291-L340 HydrophobicContact CG-CD1 4Å; E291-L340 WeakPolarHBondContact OE1-CD1 3.48Å; E292-L340 HydrophobicContact CB-CD1 4Å; E292-L340 VanDerWaalsContact OE2-CD2 3.27Å; E292-L340 WeakPolarHBondContact OE2-CD2 3.23Å; A295-L340 HydrophobicContact CB-CB 4Å; A295-L340 HydrophobicContact CB-CD1 4.13Å; S337-L340 PolarHBondContact O-N 2.85Å; L340-R342 PolarHBondContact O-N 2.94Å; L340-K343 HydrophobicContact CD2-CD 3.87Å; L340-K343 PolarHBondContact O-N 3.05Å; L340-H344 WeakPolarHBondContact O-CB 3.39Å; L340-H344 PolarHBondContact O-N 3.3Å |
| 341 | Y | 95.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -57.5 | -47.2 | 170.4 | -170.4 | -76.2 | 0 | 0 | 0 | 111.8 | L322 P324 S337 V345 V346 Y371 C374 | L322-Y341 WeakPolarHBondContact O-CE2 3.36Å; L322-Y341 PolarHBondContact O-OH 3.43Å; P324-Y341 HydrophobicContact CB-CD1 4.13Å; P324-Y341 HydrophobicContact CB-CD2 3.83Å; P324-Y341 HydrophobicContact CB-CE2 4.19Å; P324-Y341 HydrophobicContact CB-CG 3.8Å; S337-Y341 WeakPolarHBondContact O-CB 3.48Å; S337-Y341 PolarHBondContact O-N 3.47Å; Y341-V345 HydrophobicContact CD1-CB 4.11Å; Y341-V345 HydrophobicContact CD1-CG1 4.31Å; Y341-V345 HydrophobicContact CD2-CB 4.03Å; Y341-V345 HydrophobicContact CD2-CG1 4.19Å; Y341-V345 HydrophobicContact CD2-CG2 3.98Å; Y341-V345 HydrophobicContact CE1-CB 4.09Å; Y341-V345 HydrophobicContact CE1-CG1 3.78Å; Y341-V345 HydrophobicContact CE2-CB 4.05Å; Y341-V345 HydrophobicContact CE2-CG1 3.67Å; Y341-V345 HydrophobicContact CE2-CG2 4.19Å; Y341-V345 HydrophobicContact CG-CB 4.06Å; Y341-V345 HydrophobicContact CG-CG1 4.48Å; Y341-V345 HydrophobicContact CG-CG2 4.33Å; Y341-V345 VanDerWaalsContact CZ-CG1 3.42Å; Y341-V345 WeakPolarHBondContact O-CA 3.15Å; Y341-V345 VanDerWaalsContact O-CB 3.32Å; Y341-V345 WeakPolarHBondContact O-CB 3.39Å; Y341-V345 PolarHBondContact O-N 3.42Å; Y341-V346 HydrophobicContact CD1-CG2 4.14Å; Y341-V346 HydrophobicContact CE1-CG2 4.02Å; Y341-V346 PolarHBondContact O-N 2.89Å; Y341-V346 VanDerWaalsContact O-N 3.13Å; Y341-Y371 WeakPolarHBondContact OH-CB 3.16Å; Y341-C374 HydrophobicContact CD1-CB 4.06Å; Y341-C374 HydrophobicContact CE1-CB 3.9Å |
| 342 | R | 95.1 | Very high | 90.7 | Very high | 129 Ų | 129 | 45.8 Ų | 45.8 | 49% | 0.487 | 23% | 0.228 | S | C | . | . | I | π-helix | trans | -68.4 | -35.7 | 176.5 | -81.4 | 179.7 | 164.3 | 154.9 | 3 | 113.2 | V338 S339 L340 V346 E373 C374 | V338-R342 WeakPolarHBondContact O-CB 3.35Å; V338-R342 WeakPolarHBondContact O-CG 3.36Å; V338-R342 PolarHBondContact O-N 3.22Å; V338-R342 VanDerWaalsContact O-N 3.13Å; S339-R342 PolarHBondContact O-N 3.41Å; L340-R342 PolarHBondContact O-N 2.94Å; R342-V346 HydrophobicContact CG-CG2 4.48Å; R342-E373 PolarHBondContact NH2-O 3.02Å; R342-C374 HydrophobicContact CG-CB 4.29Å; R342-C374 PolarHBondContact NE-O 3.4Å |
| 343 | K | 95 | Very high | 92.6 | Very high | 109 Ų | 109 | 39.7 Ų | 39.7 | 47% | 0.474 | 20% | 0.199 | S | C | . | . | I | π-helix | trans | -67 | -40.9 | 177.7 | -176.8 | -175.8 | 171.4 | -165.6 | 0 | 112.2 | E292 S339 L340 P347 | E292-K343 IonicContact OE1-NZ 3.94Å; E292-K343 PolarHBondContact OE1-NZ 3.41Å; E292-K343 IonicContact OE2-NZ 3.95Å; E292-K343 PolarHBondContact OE2-NZ 3.44Å; S339-K343 WeakPolarHBondContact O-CB 3.38Å; S339-K343 PolarHBondContact O-N 2.94Å; L340-K343 HydrophobicContact CD2-CD 3.87Å; L340-K343 PolarHBondContact O-N 3.05Å; K343-P347 WeakPolarHBondContact O-CG 3.41Å |
| 344 | H | 94.6 | Very high | 94.1 | Very high | 45 Ų | 45 | 39.4 Ų | 39.4 | 21% | 0.208 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -121.5 | -37.3 | -165.1 | -66 | -67.6 | 0 | 0 | 0 | 115.7 | E292 A295 T296 L340 Q348 | E292-H344 IonicContact OE1-CD2 2.72Å; E292-H344 IonicContact OE1-CE1 3.03Å; E292-H344 CovalentContact OE1-NE2 1.81Å; E292-H344 IonicContact OE1-NE2 2.71Å; E292-H344 PolarHBondContact OE1-NE2 3.32Å; E292-H344 IonicContact OE2-NE2 3.17Å; A295-H344 HydrophobicContact CB-CB 4.15Å; A295-H344 WeakPolarHBondContact CB-CD2 3.3Å; A295-H344 VanDerWaalsContact O-CB 3.28Å; A295-H344 WeakPolarHBondContact O-CB 3.37Å; T296-H344 WeakPolarHBondContact CG2-CE1 3.34Å; T296-H344 WeakPolarHBondContact CG2-NE2 3.48Å; L340-H344 WeakPolarHBondContact O-CB 3.39Å; L340-H344 PolarHBondContact O-N 3.3Å; H344-Q348 WeakPolarHBondContact O-CG 3.46Å |
| 345 | V | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -80.4 | -50.3 | -179.6 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | V299 L303 L336 Y341 Q348 L349 | V299-V345 HydrophobicContact CG1-CG2 3.81Å; V299-V345 HydrophobicContact CG2-CG2 3.92Å; L303-V345 HydrophobicContact CD1-CB 4.27Å; L303-V345 HydrophobicContact CD1-CG1 3.73Å; L303-V345 HydrophobicContact CD1-CG2 4.24Å; L336-V345 HydrophobicContact CD1-CG2 3.58Å; Y341-V345 HydrophobicContact CD1-CB 4.11Å; Y341-V345 HydrophobicContact CD1-CG1 4.31Å; Y341-V345 HydrophobicContact CD2-CB 4.03Å; Y341-V345 HydrophobicContact CD2-CG1 4.19Å; Y341-V345 HydrophobicContact CD2-CG2 3.98Å; Y341-V345 HydrophobicContact CE1-CB 4.09Å; Y341-V345 HydrophobicContact CE1-CG1 3.78Å; Y341-V345 HydrophobicContact CE2-CB 4.05Å; Y341-V345 HydrophobicContact CE2-CG1 3.67Å; Y341-V345 HydrophobicContact CE2-CG2 4.19Å; Y341-V345 HydrophobicContact CG-CB 4.06Å; Y341-V345 HydrophobicContact CG-CG1 4.48Å; Y341-V345 HydrophobicContact CG-CG2 4.33Å; Y341-V345 VanDerWaalsContact CZ-CG1 3.42Å; Y341-V345 WeakPolarHBondContact O-CA 3.15Å; Y341-V345 VanDerWaalsContact O-CB 3.32Å; Y341-V345 WeakPolarHBondContact O-CB 3.39Å; Y341-V345 PolarHBondContact O-N 3.42Å; V345-Q348 PolarHBondContact O-N 3.3Å; V345-L349 HydrophobicContact CG1-CD1 3.82Å; V345-L349 HydrophobicContact CG1-CD2 4.49Å; V345-L349 HydrophobicContact CG1-CG 3.94Å; V345-L349 PolarHBondContact O-N 3.37Å |
| 346 | V | 96.8 | Very high | 95.4 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -52.3 | -44.2 | -178.2 | 163.8 | 0 | 0 | 0 | 0 | 113.1 | Y341 R342 Q348 L349 L350 C374 F375 | Y341-V346 HydrophobicContact CD1-CG2 4.14Å; Y341-V346 HydrophobicContact CE1-CG2 4.02Å; Y341-V346 PolarHBondContact O-N 2.89Å; Y341-V346 VanDerWaalsContact O-N 3.13Å; R342-V346 HydrophobicContact CG-CG2 4.48Å; V346-Q348 VanDerWaalsContact C-N 3.29Å; V346-Q348 PolarHBondContact O-N 3.21Å; V346-L349 PolarHBondContact O-N 2.86Å; V346-L350 HydrophobicContact CG1-CD1 4.04Å; V346-L350 WeakPolarHBondContact O-CG 3.39Å; V346-L350 PolarHBondContact O-N 2.94Å; V346-C374 HydrophobicContact CG2-CB 3.86Å; V346-F375 HydrophobicContact CG1-CD1 3.67Å; V346-F375 HydrophobicContact CG1-CE1 3.89Å; V346-F375 HydrophobicContact CG2-CD1 4.41Å; V346-F375 HydrophobicContact CG2-CE1 4.46Å |
| 347 | P | 96.4 | Very high | 95.6 | Very high | 50 Ų | 50 | 49.4 Ų | 49.4 | 33% | 0.325 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.9 | -24.2 | 175.8 | -25.6 | 37 | 0 | 0 | 0 | 115.3 | K343 K351 | K343-P347 WeakPolarHBondContact O-CG 3.41Å; P347-K351 WeakPolarHBondContact O-CE 3.48Å; P347-K351 WeakPolarHBondContact O-CG 3.43Å |
| 348 | Q | 97.1 | Very high | 95.8 | Very high | 32 Ų | 32 | 52.8 Ų | 52.8 | 15% | 0.15 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -81.3 | -39.5 | 172.3 | -45 | -55.1 | -7.1 | 0 | 0 | 110.9 | V299 L303 H344 V345 V346 L350 K351 L352 | V299-Q348 HydrophobicContact CG1-CG 4.13Å; L303-Q348 HydrophobicContact CB-CB 4.04Å; L303-Q348 HydrophobicContact CB-CG 4.5Å; L303-Q348 HydrophobicContact CD1-CB 4.01Å; L303-Q348 HydrophobicContact CD1-CG 4.37Å; H344-Q348 WeakPolarHBondContact O-CG 3.46Å; V345-Q348 PolarHBondContact O-N 3.3Å; V346-Q348 VanDerWaalsContact C-N 3.29Å; V346-Q348 PolarHBondContact O-N 3.21Å; Q348-L350 VanDerWaalsContact C-N 3.28Å; Q348-L350 PolarHBondContact O-N 3.4Å; Q348-K351 WeakPolarHBondContact O-CA 3.45Å; Q348-K351 WeakPolarHBondContact O-CB 3.38Å; Q348-K351 PolarHBondContact O-N 2.85Å; Q348-L352 PolarHBondContact O-N 3.08Å |
| 349 | L | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.5 | -42 | 173.7 | -61 | 179.1 | 0 | 0 | 0 | 111.2 | L322 V345 V346 K351 L352 F353 L364 Y371 F375 | L322-L349 HydrophobicContact CD2-CD2 3.74Å; V345-L349 HydrophobicContact CG1-CD1 3.82Å; V345-L349 HydrophobicContact CG1-CD2 4.49Å; V345-L349 HydrophobicContact CG1-CG 3.94Å; V345-L349 PolarHBondContact O-N 3.37Å; V346-L349 PolarHBondContact O-N 2.86Å; L349-K351 PolarHBondContact O-N 3.12Å; L349-K351 VanDerWaalsContact O-N 3.17Å; L349-L352 PolarHBondContact O-N 3.17Å; L349-F353 WeakPolarHBondContact O-CD2 3.4Å; L349-F353 PolarHBondContact O-N 3.4Å; L349-L364 HydrophobicContact CD2-CD2 3.77Å; L349-Y371 HydrophobicContact CD1-CD2 3.65Å; L349-Y371 HydrophobicContact CD1-CE2 3.84Å; L349-Y371 HydrophobicContact CD1-CG 4.08Å; L349-F375 HydrophobicContact CB-CE1 4.25Å; L349-F375 HydrophobicContact CB-CZ 4.06Å; L349-F375 HydrophobicContact CD1-CZ 4.15Å |
| 350 | L | 97.7 | Very high | 96.2 | Very high | 17 Ų | 17 | 50.4 Ų | 50.4 | 9% | 0.089 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.5 | -15.8 | 174.2 | -72.6 | 167.9 | 0 | 0 | 0 | 114.8 | V346 Q348 K354 F375 E379 Q383 I384 | V346-L350 HydrophobicContact CG1-CD1 4.04Å; V346-L350 WeakPolarHBondContact O-CG 3.39Å; V346-L350 PolarHBondContact O-N 2.94Å; Q348-L350 VanDerWaalsContact C-N 3.28Å; Q348-L350 PolarHBondContact O-N 3.4Å; L350-K354 VanDerWaalsContact O-CD 3.29Å; L350-K354 WeakPolarHBondContact O-CD 3.41Å; L350-K354 WeakPolarHBondContact O-CE 3.36Å; L350-K354 PolarHBondContact O-NZ 2.92Å; L350-K354 VanDerWaalsContact O-NZ 3.16Å; L350-F375 HydrophobicContact CD2-CD1 4.38Å; L350-F375 HydrophobicContact CD2-CE1 4.18Å; L350-F375 HydrophobicContact CG-CD1 4.46Å; L350-F375 HydrophobicContact CG-CE1 4.08Å; L350-E379 HydrophobicContact CD1-CG 4.24Å; L350-E379 WeakPolarHBondContact CD1-OE1 3.48Å; L350-E379 HydrophobicContact CD2-CB 4.26Å; L350-E379 HydrophobicContact CD2-CG 4.45Å; L350-Q383 HydrophobicContact CD2-CB 3.86Å; L350-I384 HydrophobicContact CD2-CD1 3.77Å; L350-I384 HydrophobicContact CD2-CG1 4.23Å |
| 351 | K | 96.9 | Very high | 96.5 | Very high | 118 Ų | 118 | 50 Ų | 50 | 51% | 0.513 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -90.9 | -48.2 | 169.9 | -61.7 | 166.4 | -164.1 | 169.9 | 0 | 110.3 | P347 Q348 L349 F353 K354 V355 | P347-K351 WeakPolarHBondContact O-CE 3.48Å; P347-K351 WeakPolarHBondContact O-CG 3.43Å; Q348-K351 WeakPolarHBondContact O-CA 3.45Å; Q348-K351 WeakPolarHBondContact O-CB 3.38Å; Q348-K351 PolarHBondContact O-N 2.85Å; L349-K351 PolarHBondContact O-N 3.12Å; L349-K351 VanDerWaalsContact O-N 3.17Å; K351-F353 VanDerWaalsContact C-N 3.31Å; K351-F353 PolarHBondContact O-N 3.33Å; K351-K354 WeakPolarHBondContact O-CA 3.17Å; K351-K354 WeakPolarHBondContact O-CB 3.42Å; K351-K354 PolarHBondContact O-N 3.25Å; K351-V355 PolarHBondContact O-N 2.91Å |
| 352 | L | 97.6 | Very high | 96.6 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.3 | -36.1 | -179.7 | -67.5 | 176 | 0 | 0 | 0 | 112.7 | L303 F308 Q348 L349 K354 V355 V360 L364 | L303-L352 HydrophobicContact CB-CD1 4.05Å; F308-L352 HydrophobicContact CE1-CD1 4.12Å; F308-L352 HydrophobicContact CE2-CD1 4.08Å; F308-L352 HydrophobicContact CZ-CD1 3.72Å; Q348-L352 PolarHBondContact O-N 3.08Å; L349-L352 PolarHBondContact O-N 3.17Å; L352-K354 PolarHBondContact O-N 3.02Å; L352-V355 WeakPolarHBondContact O-CB 3.44Å; L352-V355 PolarHBondContact O-N 3.15Å; L352-V360 HydrophobicContact CB-CG1 4.18Å; L352-V360 HydrophobicContact CD2-CG1 4.26Å; L352-L364 HydrophobicContact CB-CD1 3.96Å; L352-L364 HydrophobicContact CB-CD2 4.34Å |
| 353 | F | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20.8 | 172.9 | -93.6 | -78.3 | 0 | 0 | 0 | 113.9 | L349 K351 R361 L364 L365 I368 Y371 I384 Q387 V388 | L349-F353 WeakPolarHBondContact O-CD2 3.4Å; L349-F353 PolarHBondContact O-N 3.4Å; K351-F353 VanDerWaalsContact C-N 3.31Å; K351-F353 PolarHBondContact O-N 3.33Å; F353-R361 PolarHBondContact O-NH2 3.03Å; F353-L364 HydrophobicContact CD1-CD1 4.18Å; F353-L364 HydrophobicContact CD2-CD1 3.91Å; F353-L364 HydrophobicContact CD2-CD2 4.23Å; F353-L364 HydrophobicContact CE1-CB 4.21Å; F353-L364 HydrophobicContact CE1-CD1 4.36Å; F353-L364 HydrophobicContact CE2-CB 4.11Å; F353-L364 HydrophobicContact CE2-CD1 4.11Å; F353-L364 HydrophobicContact CE2-CD2 3.95Å; F353-L364 HydrophobicContact CE2-CG 4.29Å; F353-L364 HydrophobicContact CG-CD1 3.95Å; F353-L364 HydrophobicContact CZ-CB 3.83Å; F353-L364 HydrophobicContact CZ-CD1 4.33Å; F353-L364 HydrophobicContact CZ-CG 4.47Å; F353-L365 HydrophobicContact CE1-CD2 4.23Å; F353-I368 HydrophobicContact CZ-CD1 4.13Å; F353-Y371 HydrophobicContact CE2-CE2 4.05Å; F353-Y371 VanDerWaalsContact CE2-OH 3.31Å; F353-Y371 WeakPolarHBondContact CE2-OH 3.22Å; F353-Y371 WeakPolarHBondContact CZ-OH 3.35Å; F353-I384 HydrophobicContact CB-CD1 4.26Å; F353-I384 HydrophobicContact CD1-CG2 4.48Å; F353-I384 HydrophobicContact CD2-CD1 3.51Å; F353-I384 HydrophobicContact CE1-CG2 4.21Å; F353-I384 HydrophobicContact CE2-CD1 3.95Å; F353-I384 HydrophobicContact CE2-CG2 4.47Å; F353-I384 HydrophobicContact CG-CD1 3.87Å; F353-I384 HydrophobicContact CZ-CG2 4.2Å; F353-Q387 HydrophobicContact CB-CB 4.31Å; F353-Q387 HydrophobicContact CB-CG 4.42Å; F353-Q387 HydrophobicContact CD1-CB 4.27Å; F353-Q387 WeakPolarHBondContact O-CB 3.36Å; F353-Q387 WeakPolarHBondContact O-CG 3.33Å; F353-Q387 PolarHBondContact O-OE1 3.4Å; F353-V388 HydrophobicContact CD1-CG2 4.46Å; F353-V388 HydrophobicContact CE1-CG2 3.87Å |
| 354 | K | 96.8 | Very high | 96.8 | Very high | 101 Ų | 101 | 41.5 Ų | 41.5 | 44% | 0.439 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -4.4 | 176.3 | -59.8 | 167 | -175.2 | 156.4 | 0 | 112.4 | L350 K351 L352 Q387 | L350-K354 VanDerWaalsContact O-CD 3.29Å; L350-K354 WeakPolarHBondContact O-CD 3.41Å; L350-K354 WeakPolarHBondContact O-CE 3.36Å; L350-K354 PolarHBondContact O-NZ 2.92Å; L350-K354 VanDerWaalsContact O-NZ 3.16Å; K351-K354 WeakPolarHBondContact O-CA 3.17Å; K351-K354 WeakPolarHBondContact O-CB 3.42Å; K351-K354 PolarHBondContact O-N 3.25Å; L352-K354 PolarHBondContact O-N 3.02Å; K354-Q387 HydrophobicContact CG-CG 4.49Å |
| 355 | V | 96.3 | Very high | 97 | Very high | 43 Ų | 43 | 39.4 Ų | 39.4 | 26% | 0.261 | 19% | 0.194 | S | C | . | . | trans | -80.9 | 131.8 | 170.4 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | K351 L352 E357 R361 | K351-V355 PolarHBondContact O-N 2.91Å; L352-V355 WeakPolarHBondContact O-CB 3.44Å; L352-V355 PolarHBondContact O-N 3.15Å; V355-E357 HydrophobicContact CG1-CB 3.86Å; V355-E357 VanDerWaalsContact CG1-CD 3.44Å; V355-E357 HydrophobicContact CG1-CG 3.65Å; V355-E357 WeakPolarHBondContact CG1-OE1 3.48Å; V355-E357 PolarHBondContact O-N 3.25Å; V355-R361 PolarHBondContact O-NH2 2.69Å | ||
| 356 | N | 95.1 | Very high | 97 | Very high | 127 Ų | 127 | 41.3 Ų | 41.3 | 68% | 0.679 | 21% | 0.209 | S | C | * | . | trans | -101.5 | 53 | -179.2 | -67.2 | -32.5 | 0 | 0 | 0 | 110.7 | R361 | N356-R361 PolarHBondContact OD1-NH2 2.8Š| ||
| 357 | E | 96.3 | Very high | 97 | Very high | 79 Ų | 79 | 42.7 Ų | 42.7 | 37% | 0.369 | 22% | 0.215 | S | C | . | . | trans | -109.3 | 130.8 | 174.6 | -76.5 | 166.9 | -140 | 0 | 0 | 108.5 | V355 H359 V360 R361 | V355-E357 HydrophobicContact CG1-CB 3.86Å; V355-E357 VanDerWaalsContact CG1-CD 3.44Å; V355-E357 HydrophobicContact CG1-CG 3.65Å; V355-E357 WeakPolarHBondContact CG1-OE1 3.48Å; V355-E357 PolarHBondContact O-N 3.25Å; E357-H359 IonicContact OE2-CE1 3.94Å; E357-H359 PolarHBondContact OE2-CE1 3.26Å; E357-H359 IonicContact OE2-NE2 2.73Å; E357-H359 PolarHBondContact OE2-NE2 2.76Å; E357-H359 VanDerWaalsContact OE2-NE2 3.09Å; E357-V360 HydrophobicContact CB-CB 4Å; E357-V360 HydrophobicContact CB-CG2 3.7Å; E357-V360 PolarHBondContact O-N 3.31Å; E357-V360 VanDerWaalsContact OE2-CG2 3.28Å; E357-V360 WeakPolarHBondContact OE2-CG2 3.04Å; E357-R361 PolarHBondContact O-N 2.98Å | ||
| 358 | E | 95.8 | Very high | 97 | Very high | 97 Ų | 97 | 40.4 Ų | 40.4 | 45% | 0.453 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.7 | -49.3 | -173.5 | -167.5 | -161.9 | 105.3 | 0 | 0 | 111.7 | V360 R361 M362 N396 L399 | E358-V360 VanDerWaalsContact C-N 3.34Å; E358-V360 PolarHBondContact O-N 3.1Å; E358-R361 PolarHBondContact O-N 3.3Å; E358-R361 VanDerWaalsContact O-N 3.15Å; E358-M362 HydrophobicContact CG-CG 4.36Å; E358-M362 WeakPolarHBondContact O-CB 3.29Å; E358-M362 WeakPolarHBondContact O-CG 3.27Å; E358-M362 PolarHBondContact O-N 3.02Å; E358-N396 PolarHBondContact OE1-ND2 2.87Å; E358-N396 PolarHBondContact OE2-ND2 2.62Å; E358-L399 HydrophobicContact CG-CD2 4.31Å |
| 359 | H | 95.9 | Very high | 96.9 | Very high | 72 Ų | 72 | 43.9 Ų | 43.9 | 33% | 0.333 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.6 | -42.9 | 179.6 | 58.5 | -74.8 | 0 | 0 | 0 | 111.7 | G305 E357 R361 M362 V363 | G305-H359 PolarHBondContact O-NE2 3.46Å; E357-H359 IonicContact OE2-CE1 3.94Å; E357-H359 PolarHBondContact OE2-CE1 3.26Å; E357-H359 IonicContact OE2-NE2 2.73Å; E357-H359 PolarHBondContact OE2-NE2 2.76Å; E357-H359 VanDerWaalsContact OE2-NE2 3.09Å; H359-R361 VanDerWaalsContact C-N 3.35Å; H359-R361 PolarHBondContact O-N 3.35Å; H359-M362 PolarHBondContact O-N 3.26Å; H359-V363 WeakPolarHBondContact O-CG2 3.42Å; H359-V363 PolarHBondContact O-N 2.73Å |
| 360 | V | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.9 | -46.8 | 175.1 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | F308 L352 E357 E358 L364 | F308-V360 HydrophobicContact CB-CG2 4.13Å; F308-V360 HydrophobicContact CD2-CG1 4.11Å; L352-V360 HydrophobicContact CB-CG1 4.18Å; L352-V360 HydrophobicContact CD2-CG1 4.26Å; E357-V360 HydrophobicContact CB-CB 4Å; E357-V360 HydrophobicContact CB-CG2 3.7Å; E357-V360 PolarHBondContact O-N 3.31Å; E357-V360 VanDerWaalsContact OE2-CG2 3.28Å; E357-V360 WeakPolarHBondContact OE2-CG2 3.04Å; E358-V360 VanDerWaalsContact C-N 3.34Å; E358-V360 PolarHBondContact O-N 3.1Å; V360-L364 HydrophobicContact CG1-CD1 3.99Å; V360-L364 HydrophobicContact CG1-CG 4.46Å; V360-L364 WeakPolarHBondContact O-CB 3.28Å; V360-L364 VanDerWaalsContact O-CG 3.24Å; V360-L364 WeakPolarHBondContact O-CG 3.44Å; V360-L364 PolarHBondContact O-N 3.44Å |
| 361 | R | 97.5 | Very high | 96.6 | Very high | 12 Ų | 12 | 44.7 Ų | 44.7 | 5% | 0.045 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.3 | -43.2 | 179.6 | -164 | 66 | 57.5 | 80.6 | 5.1 | 111.5 | F353 V355 N356 E357 E358 H359 V363 L364 L365 Q387 L399 | F353-R361 PolarHBondContact O-NH2 3.03Å; V355-R361 PolarHBondContact O-NH2 2.69Å; N356-R361 PolarHBondContact OD1-NH2 2.8Å; E357-R361 PolarHBondContact O-N 2.98Å; E358-R361 PolarHBondContact O-N 3.3Å; E358-R361 VanDerWaalsContact O-N 3.15Å; H359-R361 VanDerWaalsContact C-N 3.35Å; H359-R361 PolarHBondContact O-N 3.35Å; R361-V363 PolarHBondContact O-N 3.16Å; R361-L364 PolarHBondContact O-N 3.45Å; R361-L365 HydrophobicContact CG-CD1 3.94Å; R361-L365 HydrophobicContact CG-CG 4.24Å; R361-L365 WeakPolarHBondContact O-CB 3.3Å; R361-L365 VanDerWaalsContact O-CG 3.22Å; R361-L365 WeakPolarHBondContact O-CG 3.29Å; R361-L365 PolarHBondContact O-N 2.94Å; R361-Q387 PolarHBondContact NH1-O 3.43Å; R361-L399 HydrophobicContact CB-CD1 4Å; R361-L399 HydrophobicContact CG-CD1 3.75Å |
| 362 | M | 97.5 | Very high | 96.6 | Very high | 49 Ų | 49 | 39.1 Ų | 39.1 | 24% | 0.241 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.7 | -48.1 | 177.6 | -76.4 | -65.5 | -79.7 | 0 | 0 | 112.1 | E358 H359 L365 A366 L399 M402 | E358-M362 HydrophobicContact CG-CG 4.36Å; E358-M362 WeakPolarHBondContact O-CB 3.29Å; E358-M362 WeakPolarHBondContact O-CG 3.27Å; E358-M362 PolarHBondContact O-N 3.02Å; H359-M362 PolarHBondContact O-N 3.26Å; M362-L365 PolarHBondContact O-N 3.28Å; M362-A366 WeakPolarHBondContact O-CB 3.39Å; M362-A366 PolarHBondContact O-N 3.15Å; M362-L399 HydrophobicContact CG-CD1 3.95Å; M362-L399 HydrophobicContact SD-CB 4.07Å; M362-L399 HydrophobicContact SD-CD1 3.62Å; M362-L399 HydrophobicContact SD-CG 4.48Å; M362-M402 HydrophobicContact CE-CG 3.91Å; M362-M402 HydrophobicContact SD-CB 4.18Å; M362-M402 HydrophobicContact SD-CG 3.98Å |
| 363 | V | 97.6 | Very high | 96.5 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.5 | -44.1 | 177.9 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | F308 V314 L318 L322 H359 R361 A366 H367 | F308-V363 HydrophobicContact CD2-CB 3.73Å; F308-V363 HydrophobicContact CD2-CG1 3.63Å; F308-V363 HydrophobicContact CD2-CG2 4.4Å; F308-V363 HydrophobicContact CE2-CB 4.09Å; F308-V363 HydrophobicContact CE2-CG1 3.62Å; F308-V363 HydrophobicContact CG-CG1 4.39Å; F308-V363 HydrophobicContact CZ-CG1 4.37Å; V314-V363 HydrophobicContact CB-CG2 4.44Å; V314-V363 HydrophobicContact CG1-CG2 3.8Å; V314-V363 HydrophobicContact CG2-CG2 3.71Å; L318-V363 HydrophobicContact CD1-CG1 3.99Å; L322-V363 HydrophobicContact CD1-CG1 4.35Å; H359-V363 WeakPolarHBondContact O-CG2 3.42Å; H359-V363 PolarHBondContact O-N 2.73Å; R361-V363 PolarHBondContact O-N 3.16Å; V363-A366 PolarHBondContact O-N 2.78Å; V363-H367 PolarHBondContact O-CD2 2.66Å; V363-H367 PolarHBondContact O-N 3.11Å |
| 364 | L | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.4 | -49.6 | 176.1 | -72.6 | 171.8 | 0 | 0 | 0 | 111.8 | F308 L349 L352 F353 V360 R361 H367 I368 Y371 | F308-L364 HydrophobicContact CE2-CD2 4.07Å; F308-L364 HydrophobicContact CE2-CG 4.17Å; L349-L364 HydrophobicContact CD2-CD2 3.77Å; L352-L364 HydrophobicContact CB-CD1 3.96Å; L352-L364 HydrophobicContact CB-CD2 4.34Å; F353-L364 HydrophobicContact CD1-CD1 4.18Å; F353-L364 HydrophobicContact CD2-CD1 3.91Å; F353-L364 HydrophobicContact CD2-CD2 4.23Å; F353-L364 HydrophobicContact CE1-CB 4.21Å; F353-L364 HydrophobicContact CE1-CD1 4.36Å; F353-L364 HydrophobicContact CE2-CB 4.11Å; F353-L364 HydrophobicContact CE2-CD1 4.11Å; F353-L364 HydrophobicContact CE2-CD2 3.95Å; F353-L364 HydrophobicContact CE2-CG 4.29Å; F353-L364 HydrophobicContact CG-CD1 3.95Å; F353-L364 HydrophobicContact CZ-CB 3.83Å; F353-L364 HydrophobicContact CZ-CD1 4.33Å; F353-L364 HydrophobicContact CZ-CG 4.47Å; V360-L364 HydrophobicContact CG1-CD1 3.99Å; V360-L364 HydrophobicContact CG1-CG 4.46Å; V360-L364 WeakPolarHBondContact O-CB 3.28Å; V360-L364 VanDerWaalsContact O-CG 3.24Å; V360-L364 WeakPolarHBondContact O-CG 3.44Å; V360-L364 PolarHBondContact O-N 3.44Å; R361-L364 PolarHBondContact O-N 3.45Å; L364-H367 PolarHBondContact O-N 2.66Å; L364-I368 PolarHBondContact O-N 3.32Å; L364-I368 VanDerWaalsContact O-N 3.08Å; L364-Y371 PolarHBondContact O-OH 3.09Å |
| 365 | L | 97.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.9 | -38.4 | -178.2 | -66.3 | 179.7 | 0 | 0 | 0 | 112 | F353 R361 M362 H367 I368 V388 L399 M402 T403 S406 | F353-L365 HydrophobicContact CE1-CD2 4.23Å; R361-L365 HydrophobicContact CG-CD1 3.94Å; R361-L365 HydrophobicContact CG-CG 4.24Å; R361-L365 WeakPolarHBondContact O-CB 3.3Å; R361-L365 VanDerWaalsContact O-CG 3.22Å; R361-L365 WeakPolarHBondContact O-CG 3.29Å; R361-L365 PolarHBondContact O-N 2.94Å; M362-L365 PolarHBondContact O-N 3.28Å; L365-H367 VanDerWaalsContact C-N 3.32Å; L365-H367 PolarHBondContact O-N 3.22Å; L365-I368 VanDerWaalsContact O-CG2 3.24Å; L365-I368 WeakPolarHBondContact O-CG2 3.28Å; L365-I368 PolarHBondContact O-N 2.77Å; L365-V388 HydrophobicContact CD2-CG1 4.17Å; L365-V388 HydrophobicContact CD2-CG2 3.97Å; L365-L399 HydrophobicContact CD1-CD1 3.82Å; L365-M402 HydrophobicContact CB-CB 4.31Å; L365-M402 HydrophobicContact CD1-CB 4.34Å; L365-T403 WeakPolarHBondContact CD1-OG1 3.48Å; L365-S406 WeakPolarHBondContact CB-OG 3.42Å; L365-S406 WeakPolarHBondContact CD2-OG 3.22Å; L365-S406 PolarHBondContact O-OG 3.43Å |
| 366 | A | 96.7 | Very high | 96.3 | Very high | 39 Ų | 39 | 38.8 Ų | 38.8 | 32% | 0.322 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -56.7 | -43.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M362 V363 H369 M402 | M362-A366 WeakPolarHBondContact O-CB 3.39Å; M362-A366 PolarHBondContact O-N 3.15Å; V363-A366 PolarHBondContact O-N 2.78Å; A366-H369 PolarHBondContact O-CE1 2.87Å; A366-H369 PolarHBondContact O-ND1 3.29Å; A366-M402 HydrophobicContact CB-CE 4.2Å |
| 367 | H | 96.3 | Very high | 96.4 | Very high | 35 Ų | 35 | 39.2 Ų | 39.2 | 16% | 0.162 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -93.6 | 0.7 | -177.6 | -65.4 | -71.6 | 0 | 0 | 0 | 114.8 | L322 V363 L364 L365 H369 V370 Y371 | L322-H367 HydrophobicContact CB-CB 4.5Å; L322-H367 HydrophobicContact CD1-CB 3.91Å; V363-H367 PolarHBondContact O-CD2 2.66Å; V363-H367 PolarHBondContact O-N 3.11Å; L364-H367 PolarHBondContact O-N 2.66Å; L365-H367 VanDerWaalsContact C-N 3.32Å; L365-H367 PolarHBondContact O-N 3.22Å; H367-H369 PolarHBondContact O-N 2.99Å; H367-V370 VanDerWaalsContact O-CB 3.3Å; H367-V370 WeakPolarHBondContact O-CB 3.31Å; H367-V370 WeakPolarHBondContact O-CG2 3.39Å; H367-V370 PolarHBondContact O-N 3.43Å; H367-Y371 HydrophobicContact CB-CD1 4.24Å; H367-Y371 HydrophobicContact CB-CE1 3.87Å; H367-Y371 WeakPolarHBondContact O-CD1 3.33Å; H367-Y371 VanDerWaalsContact O-CE1 3.27Å; H367-Y371 WeakPolarHBondContact O-CE1 3.32Å |
| 368 | I | 97.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.4 | -32.3 | -173.4 | -157.8 | 173.8 | 0 | 0 | 0 | 113.3 | F353 L364 L365 V370 Y371 A372 I384 V388 V409 L410 | F353-I368 HydrophobicContact CZ-CD1 4.13Å; L364-I368 PolarHBondContact O-N 3.32Å; L364-I368 VanDerWaalsContact O-N 3.08Å; L365-I368 VanDerWaalsContact O-CG2 3.24Å; L365-I368 WeakPolarHBondContact O-CG2 3.28Å; L365-I368 PolarHBondContact O-N 2.77Å; I368-V370 PolarHBondContact O-N 3.32Å; I368-Y371 HydrophobicContact CG1-CE2 4.25Å; I368-Y371 PolarHBondContact O-N 2.79Å; I368-A372 HydrophobicContact CG1-CB 4.38Å; I368-A372 WeakPolarHBondContact O-CB 3.43Å; I368-A372 PolarHBondContact O-N 3.03Å; I368-I384 HydrophobicContact CD1-CG2 4.44Å; I368-V388 HydrophobicContact CD1-CG2 4.25Å; I368-V409 HydrophobicContact CG2-CB 4.36Å; I368-V409 HydrophobicContact CG2-CG1 4.32Å; I368-V409 HydrophobicContact CG2-CG2 4.37Å; I368-L410 HydrophobicContact CD1-CD2 4.42Å |
| 369 | H | 95.3 | Very high | 96.5 | Very high | 105 Ų | 105 | 37.7 Ų | 37.7 | 49% | 0.486 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.9 | -19.6 | 176.9 | 69.8 | -89.2 | 0 | 0 | 0 | 114.3 | A366 H367 V409 | A366-H369 PolarHBondContact O-CE1 2.87Å; A366-H369 PolarHBondContact O-ND1 3.29Å; H367-H369 PolarHBondContact O-N 2.99Å; H369-V409 HydrophobicContact CB-CG1 4.2Å; H369-V409 HydrophobicContact CB-CG2 4Å |
| 370 | V | 94.3 | Very high | 96.6 | Very high | 33 Ų | 33 | 34.5 Ų | 34.5 | 20% | 0.2 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -82.2 | -43.2 | 178.8 | -172.2 | 0 | 0 | 0 | 0 | 110.9 | K323 H367 I368 | K323-V370 HydrophobicContact CB-CG1 3.86Å; K323-V370 HydrophobicContact CD-CG1 4.47Å; K323-V370 HydrophobicContact CG-CG1 3.82Å; H367-V370 VanDerWaalsContact O-CB 3.3Å; H367-V370 WeakPolarHBondContact O-CB 3.31Å; H367-V370 WeakPolarHBondContact O-CG2 3.39Å; H367-V370 PolarHBondContact O-N 3.43Å; I368-V370 PolarHBondContact O-N 3.32Å |
| 371 | Y | 95.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -114.4 | -5.6 | -166.6 | 65.8 | -102.4 | 0 | 0 | 0 | 115.7 | Y341 L349 F353 L364 H367 I368 E373 C374 F375 | Y341-Y371 WeakPolarHBondContact OH-CB 3.16Å; L349-Y371 HydrophobicContact CD1-CD2 3.65Å; L349-Y371 HydrophobicContact CD1-CE2 3.84Å; L349-Y371 HydrophobicContact CD1-CG 4.08Å; F353-Y371 HydrophobicContact CE2-CE2 4.05Å; F353-Y371 VanDerWaalsContact CE2-OH 3.31Å; F353-Y371 WeakPolarHBondContact CE2-OH 3.22Å; F353-Y371 WeakPolarHBondContact CZ-OH 3.35Å; L364-Y371 PolarHBondContact O-OH 3.09Å; H367-Y371 HydrophobicContact CB-CD1 4.24Å; H367-Y371 HydrophobicContact CB-CE1 3.87Å; H367-Y371 WeakPolarHBondContact O-CD1 3.33Å; H367-Y371 VanDerWaalsContact O-CE1 3.27Å; H367-Y371 WeakPolarHBondContact O-CE1 3.32Å; I368-Y371 HydrophobicContact CG1-CE2 4.25Å; I368-Y371 PolarHBondContact O-N 2.79Å; Y371-E373 PolarHBondContact O-N 3.28Å; Y371-E373 VanDerWaalsContact O-N 3.11Å; Y371-C374 VanDerWaalsContact O-CB 3.26Å; Y371-C374 WeakPolarHBondContact O-CB 3.35Å; Y371-C374 PolarHBondContact O-N 2.81Å; Y371-F375 HydrophobicContact CD2-CD2 4.48Å; Y371-F375 AromaticContact CD2-CE2 3.53Å; Y371-F375 HydrophobicContact CD2-CE2 3.53Å; Y371-F375 AromaticContact CD2-CZ 3.88Å; Y371-F375 HydrophobicContact CD2-CZ 3.88Å; Y371-F375 AromaticContact CE2-CE2 3.56Å; Y371-F375 HydrophobicContact CE2-CE2 3.56Å; Y371-F375 AromaticContact CE2-CZ 3.78Å; Y371-F375 HydrophobicContact CE2-CZ 3.78Å |
| 372 | A | 96.1 | Very high | 96.5 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.017 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -57.8 | -29.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | I368 C374 V409 L410 L413 | I368-A372 HydrophobicContact CG1-CB 4.38Å; I368-A372 WeakPolarHBondContact O-CB 3.43Å; I368-A372 PolarHBondContact O-N 3.03Å; A372-C374 PolarHBondContact O-N 2.86Å; A372-V409 HydrophobicContact CB-CG1 4.38Å; A372-L410 HydrophobicContact CB-CD2 4.5Å; A372-L413 HydrophobicContact CB-CD1 3.55Å |
| 373 | E | 95.1 | Very high | 96.5 | Very high | 78 Ų | 78 | 43.4 Ų | 43.4 | 36% | 0.364 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -70.4 | -12 | 174.8 | -60.8 | 180 | 156.5 | 0 | 0 | 114 | K326 R342 Y371 L413 | K326-E373 IonicContact NZ-OE2 3.25Å; K326-E373 PolarHBondContact NZ-OE2 3.03Å; R342-E373 PolarHBondContact NH2-O 3.02Å; Y371-E373 PolarHBondContact O-N 3.28Å; Y371-E373 VanDerWaalsContact O-N 3.11Å; E373-L413 HydrophobicContact CG-CD2 4.4Å |
| 374 | C | 95.1 | Very high | 96.6 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -80.3 | -30.7 | 178.8 | -68.4 | 0 | 0 | 0 | 0 | 112.7 | Y341 R342 V346 Y371 A372 | Y341-C374 HydrophobicContact CD1-CB 4.06Å; Y341-C374 HydrophobicContact CE1-CB 3.9Å; R342-C374 HydrophobicContact CG-CB 4.29Å; R342-C374 PolarHBondContact NE-O 3.4Å; V346-C374 HydrophobicContact CG2-CB 3.86Å; Y371-C374 VanDerWaalsContact O-CB 3.26Å; Y371-C374 WeakPolarHBondContact O-CB 3.35Å; Y371-C374 PolarHBondContact O-N 2.81Å; A372-C374 PolarHBondContact O-N 2.86Å |
| 375 | F | 96.6 | Very high | 96.5 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -70.8 | 154.4 | 173.9 | -58.3 | -68.4 | 0 | 0 | 0 | 112 | V346 L349 L350 Y371 E379 L380 I384 | V346-F375 HydrophobicContact CG1-CD1 3.67Å; V346-F375 HydrophobicContact CG1-CE1 3.89Å; V346-F375 HydrophobicContact CG2-CD1 4.41Å; V346-F375 HydrophobicContact CG2-CE1 4.46Å; L349-F375 HydrophobicContact CB-CE1 4.25Å; L349-F375 HydrophobicContact CB-CZ 4.06Å; L349-F375 HydrophobicContact CD1-CZ 4.15Å; L350-F375 HydrophobicContact CD2-CD1 4.38Å; L350-F375 HydrophobicContact CD2-CE1 4.18Å; L350-F375 HydrophobicContact CG-CD1 4.46Å; L350-F375 HydrophobicContact CG-CE1 4.08Å; Y371-F375 HydrophobicContact CD2-CD2 4.48Å; Y371-F375 AromaticContact CD2-CE2 3.53Å; Y371-F375 HydrophobicContact CD2-CE2 3.53Å; Y371-F375 AromaticContact CD2-CZ 3.88Å; Y371-F375 HydrophobicContact CD2-CZ 3.88Å; Y371-F375 AromaticContact CE2-CE2 3.56Å; Y371-F375 HydrophobicContact CE2-CE2 3.56Å; Y371-F375 AromaticContact CE2-CZ 3.78Å; Y371-F375 HydrophobicContact CE2-CZ 3.78Å; F375-E379 HydrophobicContact CB-CB 4.24Å; F375-E379 HydrophobicContact CD1-CB 4.45Å; F375-L380 HydrophobicContact CB-CD2 3.87Å; F375-L380 HydrophobicContact CB-CG 3.74Å; F375-L380 HydrophobicContact CD2-CD2 3.54Å; F375-L380 HydrophobicContact CD2-CG 4.38Å; F375-L380 HydrophobicContact CE2-CD2 4.41Å; F375-L380 HydrophobicContact CG-CD2 4.05Å; F375-L380 HydrophobicContact CG-CG 4.45Å; F375-I384 HydrophobicContact CD1-CD1 4.47Å; F375-I384 HydrophobicContact CD1-CG1 4.37Å; F375-I384 HydrophobicContact CD2-CG1 4.27Å; F375-I384 HydrophobicContact CE1-CD1 3.85Å; F375-I384 HydrophobicContact CE1-CG1 4.21Å; F375-I384 HydrophobicContact CE2-CD1 4.08Å; F375-I384 HydrophobicContact CE2-CG1 4.07Å; F375-I384 HydrophobicContact CG-CG1 4.41Å; F375-I384 HydrophobicContact CZ-CD1 3.62Å; F375-I384 HydrophobicContact CZ-CG1 4.06Å |
| 376 | S | 96.3 | Very high | 96.5 | Very high | 54 Ų | 54 | 45.9 Ų | 45.9 | 38% | 0.378 | 24% | 0.239 | S | C | . | . | trans | -71.2 | 160.5 | 162.6 | 68.8 | 0 | 0 | 0 | 0 | 111.7 | D378 E379 L380 | S376-D378 PolarHBondContact O-N 3Å; S376-E379 WeakPolarHBondContact CB-OE2 2.9Å; S376-E379 PolarHBondContact N-OE2 2.87Å; S376-E379 PolarHBondContact O-N 2.85Å; S376-E379 VanDerWaalsContact OG-CD 3.31Å; S376-E379 WeakPolarHBondContact OG-CG 3.48Å; S376-E379 PolarHBondContact OG-N 3.09Å; S376-E379 PolarHBondContact OG-OE2 3.07Å; S376-L380 WeakPolarHBondContact O-CB 3.35Å; S376-L380 WeakPolarHBondContact O-CG 3.4Å; S376-L380 PolarHBondContact O-N 3.46Å | ||
| 377 | Q | 95.8 | Very high | 96.6 | Very high | 137 Ų | 137 | 46.1 Ų | 46.1 | 64% | 0.64 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -61.5 | -26.7 | 173 | -79.1 | -169.5 | -31.9 | 0 | 0 | 113.1 | K381 L413 L414 | Q377-K381 WeakPolarHBondContact O-CB 3.3Å; Q377-K381 PolarHBondContact O-N 3.39Å; Q377-L413 PolarHBondContact NE2-O 2.85Å; Q377-L414 HydrophobicContact CB-CD2 4.47Å |
| 378 | D | 96.9 | Very high | 96.6 | Very high | 96 Ų | 96 | 44.4 Ų | 44.4 | 51% | 0.513 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -73.7 | -46.3 | 178 | -160.5 | 82.9 | 0 | 0 | 0 | 111.3 | S376 L380 K381 N382 | S376-D378 PolarHBondContact O-N 3Å; D378-L380 PolarHBondContact O-N 3.37Å; D378-K381 PolarHBondContact O-N 3.43Å; D378-N382 VanDerWaalsContact O-CB 3.28Å; D378-N382 WeakPolarHBondContact O-CB 3.18Å; D378-N382 PolarHBondContact O-N 3.43Å; D378-N382 PolarHBondContact OD1-ND2 2.73Å; D378-N382 PolarHBondContact OD2-ND2 3.45Å |
| 379 | E | 97.7 | Very high | 96.6 | Very high | 48 Ų | 48 | 47.4 Ų | 47.4 | 22% | 0.224 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.1 | -45.5 | 173 | -70.2 | 158.9 | 131.1 | 0 | 0 | 111.6 | L350 F375 S376 K381 Q383 I384 | L350-E379 HydrophobicContact CD1-CG 4.24Å; L350-E379 WeakPolarHBondContact CD1-OE1 3.48Å; L350-E379 HydrophobicContact CD2-CB 4.26Å; L350-E379 HydrophobicContact CD2-CG 4.45Å; F375-E379 HydrophobicContact CB-CB 4.24Å; F375-E379 HydrophobicContact CD1-CB 4.45Å; S376-E379 WeakPolarHBondContact CB-OE2 2.9Å; S376-E379 PolarHBondContact N-OE2 2.87Å; S376-E379 PolarHBondContact O-N 2.85Å; S376-E379 VanDerWaalsContact OG-CD 3.31Å; S376-E379 WeakPolarHBondContact OG-CG 3.48Å; S376-E379 PolarHBondContact OG-N 3.09Å; S376-E379 PolarHBondContact OG-OE2 3.07Å; E379-K381 VanDerWaalsContact C-N 3.34Å; E379-K381 PolarHBondContact O-N 3.33Å; E379-Q383 CarbonylContact O-C 3.55Å; E379-Q383 WeakPolarHBondContact O-CA 3.49Å; E379-Q383 WeakPolarHBondContact O-CB 3.2Å; E379-Q383 PolarHBondContact O-N 3.24Å; E379-I384 PolarHBondContact O-N 2.72Å |
| 380 | L | 97.6 | Very high | 96.7 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -57.1 | -46.3 | 175.4 | -77 | 179.9 | 0 | 0 | 0 | 112 | F375 S376 D378 I384 L385 L410 L413 L414 | F375-L380 HydrophobicContact CB-CD2 3.87Å; F375-L380 HydrophobicContact CB-CG 3.74Å; F375-L380 HydrophobicContact CD2-CD2 3.54Å; F375-L380 HydrophobicContact CD2-CG 4.38Å; F375-L380 HydrophobicContact CE2-CD2 4.41Å; F375-L380 HydrophobicContact CG-CD2 4.05Å; F375-L380 HydrophobicContact CG-CG 4.45Å; S376-L380 WeakPolarHBondContact O-CB 3.35Å; S376-L380 WeakPolarHBondContact O-CG 3.4Å; S376-L380 PolarHBondContact O-N 3.46Å; D378-L380 PolarHBondContact O-N 3.37Å; L380-I384 HydrophobicContact CD2-CB 4.46Å; L380-I384 HydrophobicContact CD2-CG1 4.44Å; L380-L385 WeakPolarHBondContact O-CB 3.26Å; L380-L385 PolarHBondContact O-N 3.07Å; L380-L410 HydrophobicContact CD2-CD2 3.89Å; L380-L413 HydrophobicContact CD1-CB 3.96Å; L380-L413 HydrophobicContact CD1-CD1 4Å; L380-L414 HydrophobicContact CB-CD1 4.08Å; L380-L414 HydrophobicContact CB-CD2 3.77Å; L380-L414 HydrophobicContact CB-CG 4.08Å |
| 381 | K | 96.9 | Very high | 96.7 | Very high | 104 Ų | 104 | 45 Ų | 45 | 45% | 0.452 | 23% | 0.231 | S | C | . | . | I | π-helix | trans | -76.8 | -44.4 | -174.6 | -179.3 | -169.4 | 166 | -146.9 | 0 | 113.2 | Q377 D378 E379 P386 L414 V418 | Q377-K381 WeakPolarHBondContact O-CB 3.3Å; Q377-K381 PolarHBondContact O-N 3.39Å; D378-K381 PolarHBondContact O-N 3.43Å; E379-K381 VanDerWaalsContact C-N 3.34Å; E379-K381 PolarHBondContact O-N 3.33Å; K381-P386 WeakPolarHBondContact O-CD 3.34Å; K381-L414 HydrophobicContact CB-CD1 4.38Å; K381-L414 HydrophobicContact CB-CD2 3.93Å; K381-V418 HydrophobicContact CD-CG1 4.48Å; K381-V418 HydrophobicContact CG-CG1 3.92Å |
| 382 | N | 97.3 | Very high | 96.7 | Very high | 77 Ų | 77 | 49.4 Ų | 49.4 | 41% | 0.412 | 25% | 0.252 | S | S | . | . | I | π-helix | trans | -102.1 | -19.4 | -166.5 | -57.3 | -22.5 | 0 | 0 | 0 | 112.9 | D378 | D378-N382 VanDerWaalsContact O-CB 3.28Å; D378-N382 WeakPolarHBondContact O-CB 3.18Å; D378-N382 PolarHBondContact O-N 3.43Å; D378-N382 PolarHBondContact OD1-ND2 2.73Å; D378-N382 PolarHBondContact OD2-ND2 3.45Å |
| 383 | Q | 97.3 | Very high | 96.7 | Very high | 66 Ų | 66 | 60.4 Ų | 60.4 | 31% | 0.308 | 29% | 0.293 | S | S | . | . | I | π-helix | trans | -117.8 | -48.1 | 179.8 | -61.8 | -165.3 | 74.7 | 0 | 0 | 113.6 | L350 E379 Q387 | L350-Q383 HydrophobicContact CD2-CB 3.86Å; E379-Q383 CarbonylContact O-C 3.55Å; E379-Q383 WeakPolarHBondContact O-CA 3.49Å; E379-Q383 WeakPolarHBondContact O-CB 3.2Å; E379-Q383 PolarHBondContact O-N 3.24Å; Q383-Q387 VanDerWaalsContact O-CG 3.32Å; Q383-Q387 WeakPolarHBondContact O-CG 3.5Å |
| 384 | I | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -78.5 | -56.6 | -176.1 | -57 | -64.2 | 0 | 0 | 0 | 111.6 | L350 F353 I368 F375 E379 L380 Q387 V388 | L350-I384 HydrophobicContact CD2-CD1 3.77Å; L350-I384 HydrophobicContact CD2-CG1 4.23Å; F353-I384 HydrophobicContact CB-CD1 4.26Å; F353-I384 HydrophobicContact CD1-CG2 4.48Å; F353-I384 HydrophobicContact CD2-CD1 3.51Å; F353-I384 HydrophobicContact CE1-CG2 4.21Å; F353-I384 HydrophobicContact CE2-CD1 3.95Å; F353-I384 HydrophobicContact CE2-CG2 4.47Å; F353-I384 HydrophobicContact CG-CD1 3.87Å; F353-I384 HydrophobicContact CZ-CG2 4.2Å; I368-I384 HydrophobicContact CD1-CG2 4.44Å; F375-I384 HydrophobicContact CD1-CD1 4.47Å; F375-I384 HydrophobicContact CD1-CG1 4.37Å; F375-I384 HydrophobicContact CD2-CG1 4.27Å; F375-I384 HydrophobicContact CE1-CD1 3.85Å; F375-I384 HydrophobicContact CE1-CG1 4.21Å; F375-I384 HydrophobicContact CE2-CD1 4.08Å; F375-I384 HydrophobicContact CE2-CG1 4.07Å; F375-I384 HydrophobicContact CG-CG1 4.41Å; F375-I384 HydrophobicContact CZ-CD1 3.62Å; F375-I384 HydrophobicContact CZ-CG1 4.06Å; E379-I384 PolarHBondContact O-N 2.72Å; L380-I384 HydrophobicContact CD2-CB 4.46Å; L380-I384 HydrophobicContact CD2-CG1 4.44Å; I384-Q387 PolarHBondContact O-N 2.82Å; I384-V388 HydrophobicContact CG2-CG2 3.91Å; I384-V388 WeakPolarHBondContact O-CG2 3.49Å; I384-V388 PolarHBondContact O-N 2.88Å |
| 385 | L | 97.6 | Very high | 96.9 | Very high | 7 Ų | 7 | 66.4 Ų | 66.4 | 4% | 0.037 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -53.7 | -43 | -176.1 | 175.6 | 65.4 | 0 | 0 | 0 | 113.4 | L380 Q387 V388 L389 L407 L410 L414 V418 V419 | L380-L385 WeakPolarHBondContact O-CB 3.26Å; L380-L385 PolarHBondContact O-N 3.07Å; L385-Q387 VanDerWaalsContact C-N 3.3Å; L385-Q387 PolarHBondContact O-N 2.93Å; L385-V388 PolarHBondContact O-N 3.06Å; L385-L389 HydrophobicContact CD1-CD1 3.95Å; L385-L389 HydrophobicContact CD1-CD2 4.42Å; L385-L389 HydrophobicContact CD1-CG 3.92Å; L385-L389 HydrophobicContact CG-CD1 3.9Å; L385-L389 HydrophobicContact CG-CG 4.33Å; L385-L389 WeakPolarHBondContact O-CB 3.25Å; L385-L389 VanDerWaalsContact O-CG 3.28Å; L385-L389 WeakPolarHBondContact O-CG 3.37Å; L385-L389 PolarHBondContact O-N 3.27Å; L385-L407 HydrophobicContact CD1-CD2 3.58Å; L385-L410 HydrophobicContact CB-CD1 4.41Å; L385-L410 HydrophobicContact CD1-CD1 3.99Å; L385-L414 HydrophobicContact CB-CD1 4.23Å; L385-L414 HydrophobicContact CD2-CD1 3.93Å; L385-V418 HydrophobicContact CD2-CG1 4.02Å; L385-V419 HydrophobicContact CD1-CG1 4.03Å |
| 386 | P | 97.3 | Very high | 96.9 | Very high | 58 Ų | 58 | 67.8 Ų | 67.8 | 38% | 0.377 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.8 | -34.9 | 176.5 | -24.9 | 36.7 | 0 | 0 | 0 | 113.6 | K381 | K381-P386 WeakPolarHBondContact O-CD 3.34Å |
| 387 | Q | 97.9 | Very high | 97 | Very high | 43 Ų | 43 | 71.7 Ų | 71.7 | 20% | 0.201 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -76.2 | -36.8 | 177.7 | -60.6 | -61.6 | -27.7 | 0 | 0 | 112 | F353 K354 R361 Q383 I384 L385 L390 | F353-Q387 HydrophobicContact CB-CB 4.31Å; F353-Q387 HydrophobicContact CB-CG 4.42Å; F353-Q387 HydrophobicContact CD1-CB 4.27Å; F353-Q387 WeakPolarHBondContact O-CB 3.36Å; F353-Q387 WeakPolarHBondContact O-CG 3.33Å; F353-Q387 PolarHBondContact O-OE1 3.4Å; K354-Q387 HydrophobicContact CG-CG 4.49Å; R361-Q387 PolarHBondContact NH1-O 3.43Å; Q383-Q387 VanDerWaalsContact O-CG 3.32Å; Q383-Q387 WeakPolarHBondContact O-CG 3.5Å; I384-Q387 PolarHBondContact O-N 2.82Å; L385-Q387 VanDerWaalsContact C-N 3.3Å; L385-Q387 PolarHBondContact O-N 2.93Å; Q387-L390 WeakPolarHBondContact O-CB 3.25Å; Q387-L390 PolarHBondContact O-N 3.35Å |
| 388 | V | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 172.5 | 175.8 | 0 | 0 | 0 | 0 | 110.2 | F353 L365 I368 I384 L385 L390 G391 T403 L407 L410 | F353-V388 HydrophobicContact CD1-CG2 4.46Å; F353-V388 HydrophobicContact CE1-CG2 3.87Å; L365-V388 HydrophobicContact CD2-CG1 4.17Å; L365-V388 HydrophobicContact CD2-CG2 3.97Å; I368-V388 HydrophobicContact CD1-CG2 4.25Å; I384-V388 HydrophobicContact CG2-CG2 3.91Å; I384-V388 WeakPolarHBondContact O-CG2 3.49Å; I384-V388 PolarHBondContact O-N 2.88Å; L385-V388 PolarHBondContact O-N 3.06Å; V388-L390 PolarHBondContact O-N 2.97Å; V388-L390 VanDerWaalsContact O-N 3.12Å; V388-G391 PolarHBondContact O-N 2.64Å; V388-T403 HydrophobicContact CG1-CG2 4.03Å; V388-T403 WeakPolarHBondContact O-CG2 3.47Å; V388-L407 HydrophobicContact CG1-CD2 3.85Å; V388-L407 HydrophobicContact CG1-CG 4.02Å; V388-L410 HydrophobicContact CG2-CD1 4.4Å |
| 389 | L | 96.6 | Very high | 97 | Very high | 65 Ų | 65 | 64 Ų | 64 | 34% | 0.34 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.7 | -20.6 | -178.6 | -73.2 | 169.7 | 0 | 0 | 0 | 114.4 | L385 G391 M392 L407 | L385-L389 HydrophobicContact CD1-CD1 3.95Å; L385-L389 HydrophobicContact CD1-CD2 4.42Å; L385-L389 HydrophobicContact CD1-CG 3.92Å; L385-L389 HydrophobicContact CG-CD1 3.9Å; L385-L389 HydrophobicContact CG-CG 4.33Å; L385-L389 WeakPolarHBondContact O-CB 3.25Å; L385-L389 VanDerWaalsContact O-CG 3.28Å; L385-L389 WeakPolarHBondContact O-CG 3.37Å; L385-L389 PolarHBondContact O-N 3.27Å; L389-G391 VanDerWaalsContact C-N 3.26Å; L389-G391 PolarHBondContact O-N 2.93Å; L389-M392 HydrophobicContact CD2-SD 3.65Å; L389-M392 WeakPolarHBondContact O-CB 3.44Å; L389-M392 PolarHBondContact O-N 3.46Å; L389-L407 HydrophobicContact CD2-CD1 4.06Å; L389-L407 HydrophobicContact CD2-CD2 3.77Å; L389-L407 HydrophobicContact CG-CD2 4.27Å |
| 390 | L | 96.6 | Very high | 97.1 | Very high | 86 Ų | 86 | 63.2 Ų | 63.2 | 45% | 0.45 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.2 | -39.3 | 172.7 | -61.9 | 178.4 | 0 | 0 | 0 | 111.6 | Q387 V388 M392 R393 | Q387-L390 WeakPolarHBondContact O-CB 3.25Å; Q387-L390 PolarHBondContact O-N 3.35Å; V388-L390 PolarHBondContact O-N 2.97Å; V388-L390 VanDerWaalsContact O-N 3.12Å; L390-M392 PolarHBondContact O-N 3.1Å; L390-M392 VanDerWaalsContact O-N 3.1Å; L390-R393 PolarHBondContact O-N 3.22Å |
| 391 | G | 96.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -67.3 | -8.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V388 L389 R393 V400 T403 | V388-G391 PolarHBondContact O-N 2.64Å; L389-G391 VanDerWaalsContact C-N 3.26Å; L389-G391 PolarHBondContact O-N 2.93Å; G391-R393 PolarHBondContact O-N 2.95Å; G391-V400 WeakPolarHBondContact O-CA 3.23Å; G391-V400 WeakPolarHBondContact O-CG2 3.34Å; G391-T403 WeakPolarHBondContact CA-OG1 3.13Å |
| 392 | M | 95.5 | Very high | 97.1 | Very high | 93 Ų | 93 | 62 Ų | 62 | 46% | 0.458 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -76.2 | -9.6 | 169.9 | -65.9 | -172.6 | 65.2 | 0 | 0 | 113.4 | L389 L390 T403 L404 L407 | L389-M392 HydrophobicContact CD2-SD 3.65Å; L389-M392 WeakPolarHBondContact O-CB 3.44Å; L389-M392 PolarHBondContact O-N 3.46Å; L390-M392 PolarHBondContact O-N 3.1Å; L390-M392 VanDerWaalsContact O-N 3.1Å; M392-T403 HydrophobicContact CG-CG2 3.71Å; M392-L404 HydrophobicContact CE-CD2 4.13Å; M392-L407 HydrophobicContact CG-CD1 3.99Å; M392-L407 HydrophobicContact SD-CD1 3.51Å; M392-L407 VanDerWaalsContact SD-CD1 3.51Å |
| 393 | R | 94.8 | Very high | 97.2 | Very high | 233 Ų | 233 | 58.4 Ų | 58.4 | 88% | 0.879 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -120.2 | 12.7 | -178 | -63.3 | -175 | 60.3 | -168.9 | -5.8 | 112.6 | L390 G391 | L390-R393 PolarHBondContact O-N 3.22Å; G391-R393 PolarHBondContact O-N 2.95Å |
| 394 | D | 97.4 | Very high | 97.2 | Very high | 68 Ų | 68 | 59.7 Ų | 59.7 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | trans | -78.2 | 163.8 | 179.7 | -154.4 | -82.2 | 0 | 0 | 0 | 111.5 | N396 L399 V400 | D394-N396 PolarHBondContact OD1-N 2.97Å; D394-L399 HydrophobicContact CB-CD2 4.09Å; D394-V400 HydrophobicContact CB-CG2 4.35Å | ||
| 395 | T | 96.8 | Very high | 97.2 | Very high | 142 Ų | 142 | 65.1 Ų | 65.1 | 87% | 0.871 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -87.3 | -17.1 | 174.9 | 43.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 396 | N | 96.8 | Very high | 97.2 | Very high | 40 Ų | 40 | 64.9 Ų | 64.9 | 21% | 0.214 | 34% | 0.342 | C | S | . | . | trans | -90.5 | 109.1 | 179.3 | -172.4 | -34.4 | 0 | 0 | 0 | 111.6 | E358 D394 S398 L399 V400 | E358-N396 PolarHBondContact OE1-ND2 2.87Å; E358-N396 PolarHBondContact OE2-ND2 2.62Å; D394-N396 PolarHBondContact OD1-N 2.97Å; N396-S398 PolarHBondContact O-N 3.3Å; N396-S398 VanDerWaalsContact O-N 3.12Å; N396-S398 WeakPolarHBondContact OD1-CA 3.25Å; N396-S398 WeakPolarHBondContact OD1-CB 3.32Å; N396-S398 PolarHBondContact OD1-N 3.05Å; N396-L399 HydrophobicContact CB-CB 4.13Å; N396-L399 WeakPolarHBondContact O-CA 3.35Å; N396-L399 WeakPolarHBondContact O-CB 3.1Å; N396-L399 PolarHBondContact O-N 3.32Å; N396-L399 PolarHBondContact OD1-N 3.49Å; N396-V400 WeakPolarHBondContact O-CG2 3.45Å; N396-V400 PolarHBondContact O-N 3.27Å | ||
| 397 | D | 97.5 | Very high | 97.2 | Very high | 136 Ų | 136 | 62.9 Ų | 62.9 | 73% | 0.727 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -52.7 | -33.4 | 177.9 | -76.3 | -28.3 | 0 | 0 | 0 | 113.7 | V400 A401 | D397-V400 PolarHBondContact O-N 3.4Å; D397-A401 VanDerWaalsContact O-CB 3.28Å; D397-A401 WeakPolarHBondContact O-CB 3.44Å; D397-A401 PolarHBondContact O-N 3.42Å |
| 398 | S | 97 | Very high | 97.1 | Very high | 69 Ų | 69 | 63.9 Ų | 63.9 | 48% | 0.483 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68 | -40.5 | 177.3 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | N396 A401 M402 | N396-S398 PolarHBondContact O-N 3.3Å; N396-S398 VanDerWaalsContact O-N 3.12Å; N396-S398 WeakPolarHBondContact OD1-CA 3.25Å; N396-S398 WeakPolarHBondContact OD1-CB 3.32Å; N396-S398 PolarHBondContact OD1-N 3.05Å; S398-A401 PolarHBondContact O-N 3.29Å; S398-M402 WeakPolarHBondContact O-CB 3.39Å; S398-M402 VanDerWaalsContact O-CG 3.32Å; S398-M402 WeakPolarHBondContact O-CG 3.3Å; S398-M402 PolarHBondContact O-N 3.28Å |
| 399 | L | 97.6 | Very high | 97.1 | Very high | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70 | -38.5 | 176.3 | -173.3 | 64.9 | 0 | 0 | 0 | 111.5 | E358 R361 M362 L365 D394 N396 M402 T403 | E358-L399 HydrophobicContact CG-CD2 4.31Å; R361-L399 HydrophobicContact CB-CD1 4Å; R361-L399 HydrophobicContact CG-CD1 3.75Å; M362-L399 HydrophobicContact CG-CD1 3.95Å; M362-L399 HydrophobicContact SD-CB 4.07Å; M362-L399 HydrophobicContact SD-CD1 3.62Å; M362-L399 HydrophobicContact SD-CG 4.48Å; L365-L399 HydrophobicContact CD1-CD1 3.82Å; D394-L399 HydrophobicContact CB-CD2 4.09Å; N396-L399 HydrophobicContact CB-CB 4.13Å; N396-L399 WeakPolarHBondContact O-CA 3.35Å; N396-L399 WeakPolarHBondContact O-CB 3.1Å; N396-L399 PolarHBondContact O-N 3.32Å; N396-L399 PolarHBondContact OD1-N 3.49Å; L399-M402 PolarHBondContact O-N 3.29Å; L399-T403 VanDerWaalsContact O-CB 3.26Å; L399-T403 WeakPolarHBondContact O-CB 3.46Å; L399-T403 PolarHBondContact O-N 2.6Å; L399-T403 PolarHBondContact O-OG1 2.79Å |
| 400 | V | 98.2 | Very high | 97.1 | Very high | 31 Ų | 31 | 62.7 Ų | 62.7 | 19% | 0.188 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61 | -47.4 | 172.6 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | G391 D394 N396 D397 T403 L404 | G391-V400 WeakPolarHBondContact O-CA 3.23Å; G391-V400 WeakPolarHBondContact O-CG2 3.34Å; D394-V400 HydrophobicContact CB-CG2 4.35Å; N396-V400 WeakPolarHBondContact O-CG2 3.45Å; N396-V400 PolarHBondContact O-N 3.27Å; D397-V400 PolarHBondContact O-N 3.4Å; V400-T403 WeakPolarHBondContact O-CB 3.31Å; V400-T403 PolarHBondContact O-N 2.93Å; V400-L404 HydrophobicContact CG1-CD1 4.27Å; V400-L404 WeakPolarHBondContact O-CG 3.09Å; V400-L404 PolarHBondContact O-N 2.71Å |
| 401 | A | 98.1 | Very high | 97.1 | Very high | 44 Ų | 44 | 60.9 Ų | 60.9 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D397 S398 T403 L404 Q405 | D397-A401 VanDerWaalsContact O-CB 3.28Å; D397-A401 WeakPolarHBondContact O-CB 3.44Å; D397-A401 PolarHBondContact O-N 3.42Å; S398-A401 PolarHBondContact O-N 3.29Å; A401-T403 VanDerWaalsContact C-N 3.32Å; A401-T403 PolarHBondContact O-N 3.19Å; A401-L404 PolarHBondContact O-N 2.92Å; A401-Q405 WeakPolarHBondContact O-CG 3.48Å; A401-Q405 PolarHBondContact O-N 2.93Å; A401-Q405 VanDerWaalsContact O-N 3.1Å; A401-Q405 PolarHBondContact O-NE2 3.43Å |
| 402 | M | 97.6 | Very high | 97.1 | Very high | 40 Ų | 40 | 65.7 Ų | 65.7 | 20% | 0.197 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.1 | -32.5 | 175.4 | -72.3 | -52.9 | -56.4 | 0 | 0 | 112.5 | M362 L365 A366 S398 L399 S406 | M362-M402 HydrophobicContact CE-CG 3.91Å; M362-M402 HydrophobicContact SD-CB 4.18Å; M362-M402 HydrophobicContact SD-CG 3.98Å; L365-M402 HydrophobicContact CB-CB 4.31Å; L365-M402 HydrophobicContact CD1-CB 4.34Å; A366-M402 HydrophobicContact CB-CE 4.2Å; S398-M402 WeakPolarHBondContact O-CB 3.39Å; S398-M402 VanDerWaalsContact O-CG 3.32Å; S398-M402 WeakPolarHBondContact O-CG 3.3Å; S398-M402 PolarHBondContact O-N 3.28Å; L399-M402 PolarHBondContact O-N 3.29Å; M402-S406 WeakPolarHBondContact O-CB 3.23Å; M402-S406 PolarHBondContact O-N 3.38Å; M402-S406 PolarHBondContact O-OG 3.34Å |
| 403 | T | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.7 | -47.4 | 173.4 | -64.2 | 0 | 0 | 0 | 0 | 111.2 | L365 V388 G391 M392 L399 V400 A401 Q405 S406 L407 | L365-T403 WeakPolarHBondContact CD1-OG1 3.48Å; V388-T403 HydrophobicContact CG1-CG2 4.03Å; V388-T403 WeakPolarHBondContact O-CG2 3.47Å; G391-T403 WeakPolarHBondContact CA-OG1 3.13Å; M392-T403 HydrophobicContact CG-CG2 3.71Å; L399-T403 VanDerWaalsContact O-CB 3.26Å; L399-T403 WeakPolarHBondContact O-CB 3.46Å; L399-T403 PolarHBondContact O-N 2.6Å; L399-T403 PolarHBondContact O-OG1 2.79Å; V400-T403 WeakPolarHBondContact O-CB 3.31Å; V400-T403 PolarHBondContact O-N 2.93Å; A401-T403 VanDerWaalsContact C-N 3.32Å; A401-T403 PolarHBondContact O-N 3.19Å; T403-Q405 VanDerWaalsContact C-N 3.34Å; T403-Q405 PolarHBondContact O-N 3.27Å; T403-S406 WeakPolarHBondContact O-CB 3.47Å; T403-S406 PolarHBondContact O-N 3.08Å; T403-S406 VanDerWaalsContact O-N 3.13Å; T403-L407 HydrophobicContact CG2-CD1 4.15Å; T403-L407 WeakPolarHBondContact O-CG 3.47Å; T403-L407 PolarHBondContact O-N 3.37Å |
| 404 | L | 97.6 | Very high | 97.2 | Very high | 93 Ų | 93 | 53.3 Ų | 53.3 | 49% | 0.487 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 177.9 | -69 | 171 | 0 | 0 | 0 | 112.3 | M392 V400 A401 L407 A408 | M392-L404 HydrophobicContact CE-CD2 4.13Å; V400-L404 HydrophobicContact CG1-CD1 4.27Å; V400-L404 WeakPolarHBondContact O-CG 3.09Å; V400-L404 PolarHBondContact O-N 2.71Å; A401-L404 PolarHBondContact O-N 2.92Å; L404-L407 PolarHBondContact O-N 3.36Å; L404-A408 PolarHBondContact O-N 3.3Å |
| 405 | Q | 97.8 | Very high | 97.1 | Very high | 114 Ų | 114 | 51.6 Ų | 51.6 | 53% | 0.533 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 171.8 | -70.7 | 174.5 | 61.7 | 0 | 0 | 111.9 | A401 T403 L407 A408 V409 | A401-Q405 WeakPolarHBondContact O-CG 3.48Å; A401-Q405 PolarHBondContact O-N 2.93Å; A401-Q405 VanDerWaalsContact O-N 3.1Å; A401-Q405 PolarHBondContact O-NE2 3.43Å; T403-Q405 VanDerWaalsContact C-N 3.34Å; T403-Q405 PolarHBondContact O-N 3.27Å; Q405-L407 PolarHBondContact O-N 3.15Å; Q405-A408 WeakPolarHBondContact O-CB 3.3Å; Q405-A408 PolarHBondContact O-N 3.25Å; Q405-A408 VanDerWaalsContact O-N 3.13Å; Q405-V409 PolarHBondContact O-N 2.98Å |
| 406 | S | 97.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 179.1 | -61.1 | 0 | 0 | 0 | 0 | 112.7 | L365 M402 T403 A408 V409 L410 | L365-S406 WeakPolarHBondContact CB-OG 3.42Å; L365-S406 WeakPolarHBondContact CD2-OG 3.22Å; L365-S406 PolarHBondContact O-OG 3.43Å; M402-S406 WeakPolarHBondContact O-CB 3.23Å; M402-S406 PolarHBondContact O-N 3.38Å; M402-S406 PolarHBondContact O-OG 3.34Å; T403-S406 WeakPolarHBondContact O-CB 3.47Å; T403-S406 PolarHBondContact O-N 3.08Å; T403-S406 VanDerWaalsContact O-N 3.13Å; S406-A408 VanDerWaalsContact C-N 3.28Å; S406-A408 PolarHBondContact O-N 3.37Å; S406-V409 WeakPolarHBondContact O-CB 3.09Å; S406-V409 PolarHBondContact O-N 2.9Å; S406-V409 VanDerWaalsContact O-N 3.13Å; S406-L410 PolarHBondContact O-N 3.05Å; S406-L410 VanDerWaalsContact O-N 3.1Å |
| 407 | L | 97.7 | Very high | 96.5 | Very high | 17 Ų | 17 | 48.6 Ų | 48.6 | 9% | 0.089 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63 | -35.8 | 173.4 | -67.7 | 166.9 | 0 | 0 | 0 | 111.5 | L385 V388 L389 M392 T403 L404 Q405 V409 L410 V411 V419 | L385-L407 HydrophobicContact CD1-CD2 3.58Å; V388-L407 HydrophobicContact CG1-CD2 3.85Å; V388-L407 HydrophobicContact CG1-CG 4.02Å; L389-L407 HydrophobicContact CD2-CD1 4.06Å; L389-L407 HydrophobicContact CD2-CD2 3.77Å; L389-L407 HydrophobicContact CG-CD2 4.27Å; M392-L407 HydrophobicContact CG-CD1 3.99Å; M392-L407 HydrophobicContact SD-CD1 3.51Å; M392-L407 VanDerWaalsContact SD-CD1 3.51Å; T403-L407 HydrophobicContact CG2-CD1 4.15Å; T403-L407 WeakPolarHBondContact O-CG 3.47Å; T403-L407 PolarHBondContact O-N 3.37Å; L404-L407 PolarHBondContact O-N 3.36Å; Q405-L407 PolarHBondContact O-N 3.15Å; L407-V409 VanDerWaalsContact C-N 3.3Å; L407-V409 PolarHBondContact O-N 3.06Å; L407-L410 PolarHBondContact O-N 3.23Å; L407-L410 VanDerWaalsContact O-N 3.16Å; L407-V411 WeakPolarHBondContact O-CG2 3.17Å; L407-V411 PolarHBondContact O-N 3.39Å; L407-V419 HydrophobicContact CB-CG1 4Å; L407-V419 HydrophobicContact CD2-CG1 3.65Å; L407-V419 HydrophobicContact CG-CG1 4.43Å |
| 408 | A | 97.1 | Very high | 96.3 | Very high | 63 Ų | 63 | 45.1 Ų | 45.1 | 52% | 0.521 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.6 | -31.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | L404 Q405 S406 P412 | L404-A408 PolarHBondContact O-N 3.3Å; Q405-A408 WeakPolarHBondContact O-CB 3.3Å; Q405-A408 PolarHBondContact O-N 3.25Å; Q405-A408 VanDerWaalsContact O-N 3.13Å; S406-A408 VanDerWaalsContact C-N 3.28Å; S406-A408 PolarHBondContact O-N 3.37Å; A408-P412 WeakPolarHBondContact O-CD 3.22Å |
| 409 | V | 97.1 | Very high | 96.2 | Very high | 41 Ų | 41 | 42.1 Ų | 42.1 | 25% | 0.248 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.3 | -35.9 | 171.6 | 175.8 | 0 | 0 | 0 | 0 | 111.9 | I368 H369 A372 Q405 S406 L407 P412 | I368-V409 HydrophobicContact CG2-CB 4.36Å; I368-V409 HydrophobicContact CG2-CG1 4.32Å; I368-V409 HydrophobicContact CG2-CG2 4.37Å; H369-V409 HydrophobicContact CB-CG1 4.2Å; H369-V409 HydrophobicContact CB-CG2 4Å; A372-V409 HydrophobicContact CB-CG1 4.38Å; Q405-V409 PolarHBondContact O-N 2.98Å; S406-V409 WeakPolarHBondContact O-CB 3.09Å; S406-V409 PolarHBondContact O-N 2.9Å; S406-V409 VanDerWaalsContact O-N 3.13Å; L407-V409 VanDerWaalsContact C-N 3.3Å; L407-V409 PolarHBondContact O-N 3.06Å; V409-P412 WeakPolarHBondContact O-CD 3.21Å |
| 410 | L | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -76.2 | -24.8 | 178.9 | -64.1 | -177.8 | 0 | 0 | 0 | 113.4 | I368 A372 L380 L385 V388 S406 L407 L413 L414 V419 | I368-L410 HydrophobicContact CD1-CD2 4.42Å; A372-L410 HydrophobicContact CB-CD2 4.5Å; L380-L410 HydrophobicContact CD2-CD2 3.89Å; L385-L410 HydrophobicContact CB-CD1 4.41Å; L385-L410 HydrophobicContact CD1-CD1 3.99Å; V388-L410 HydrophobicContact CG2-CD1 4.4Å; S406-L410 PolarHBondContact O-N 3.05Å; S406-L410 VanDerWaalsContact O-N 3.1Å; L407-L410 PolarHBondContact O-N 3.23Å; L407-L410 VanDerWaalsContact O-N 3.16Å; L410-L413 PolarHBondContact O-N 3.21Å; L410-L414 PolarHBondContact O-N 3Å; L410-V419 HydrophobicContact CB-CG1 4.31Å; L410-V419 HydrophobicContact CB-CG2 4.01Å |
| 411 | V | 96.6 | Very high | 95 | Very high | 47 Ų | 47 | 46.9 Ų | 46.9 | 29% | 0.285 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -56.6 | -44.5 | -178.8 | 158.3 | 0 | 0 | 0 | 0 | 113.7 | L407 L413 G415 A416 V419 V420 | L407-V411 WeakPolarHBondContact O-CG2 3.17Å; L407-V411 PolarHBondContact O-N 3.39Å; V411-L413 VanDerWaalsContact C-N 3.31Å; V411-L413 PolarHBondContact O-N 3.32Å; V411-G415 CarbonylContact O-C 3.57Å; V411-G415 WeakPolarHBondContact O-CA 3.31Å; V411-G415 PolarHBondContact O-N 3.25Å; V411-A416 HydrophobicContact CG1-CB 3.94Å; V411-A416 HydrophobicContact CG2-CB 4.24Å; V411-V419 HydrophobicContact CG2-CB 3.95Å; V411-V419 HydrophobicContact CG2-CG1 3.98Å; V411-V419 HydrophobicContact CG2-CG2 4.34Å; V411-V420 HydrophobicContact CG2-CG2 4.48Å |
| 412 | P | 96.1 | Very high | 94.1 | Very high | 102 Ų | 102 | 47.6 Ų | 47.6 | 66% | 0.662 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.6 | -30.9 | 171.6 | -28.2 | 35.6 | 0 | 0 | 0 | 115.3 | A408 V409 | A408-P412 WeakPolarHBondContact O-CD 3.22Å; V409-P412 WeakPolarHBondContact O-CD 3.21Å |
| 413 | L | 96.3 | Very high | 93.2 | Very high | 45 Ų | 45 | 54.9 Ų | 54.9 | 24% | 0.236 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -89.3 | -39.5 | -170.7 | -58.4 | 177.3 | 0 | 0 | 0 | 113.2 | A372 E373 Q377 L380 L410 V411 | A372-L413 HydrophobicContact CB-CD1 3.55Å; E373-L413 HydrophobicContact CG-CD2 4.4Å; Q377-L413 PolarHBondContact NE2-O 2.85Å; L380-L413 HydrophobicContact CD1-CB 3.96Å; L380-L413 HydrophobicContact CD1-CD1 4Å; L410-L413 PolarHBondContact O-N 3.21Å; V411-L413 VanDerWaalsContact C-N 3.31Å; V411-L413 PolarHBondContact O-N 3.32Å |
| 414 | L | 96 | Very high | 92.5 | Very high | 22 Ų | 22 | 61.9 Ų | 61.9 | 12% | 0.115 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -105.8 | -16 | -179.2 | -68.8 | -179.2 | 0 | 0 | 0 | 113.7 | Q377 L380 K381 L385 L410 V418 V419 | Q377-L414 HydrophobicContact CB-CD2 4.47Å; L380-L414 HydrophobicContact CB-CD1 4.08Å; L380-L414 HydrophobicContact CB-CD2 3.77Å; L380-L414 HydrophobicContact CB-CG 4.08Å; K381-L414 HydrophobicContact CB-CD1 4.38Å; K381-L414 HydrophobicContact CB-CD2 3.93Å; L385-L414 HydrophobicContact CB-CD1 4.23Å; L385-L414 HydrophobicContact CD2-CD1 3.93Å; L410-L414 PolarHBondContact O-N 3Å; L414-V418 HydrophobicContact CB-CB 4.21Å; L414-V418 HydrophobicContact CB-CG1 4.22Å; L414-V418 HydrophobicContact CD1-CG1 4.33Å; L414-V418 WeakPolarHBondContact O-CG2 3.44Å; L414-V419 HydrophobicContact CB-CG2 3.75Å; L414-V419 HydrophobicContact CD1-CG2 4.17Å |
| 415 | G | 93.8 | Very high | 92 | Very high | 31 Ų | 31 | 63.2 Ų | 63.2 | 32% | 0.32 | 37% | 0.372 | S | S | . | . | trans | 81.8 | 138 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V411 Q417 V418 V419 | V411-G415 CarbonylContact O-C 3.57Å; V411-G415 WeakPolarHBondContact O-CA 3.31Å; V411-G415 PolarHBondContact O-N 3.25Å; G415-Q417 PolarHBondContact O-N 3.49Å; G415-V418 PolarHBondContact O-N 3.37Å; G415-V419 PolarHBondContact O-N 3.02Å | ||
| 416 | A | 91.5 | Very high | 91.4 | Very high | 19 Ų | 19 | 66.2 Ų | 66.2 | 16% | 0.157 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.6 | -18.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | V411 V418 V420 | V411-A416 HydrophobicContact CG1-CB 3.94Å; V411-A416 HydrophobicContact CG2-CB 4.24Å; A416-V418 VanDerWaalsContact C-N 3.34Å; A416-V420 HydrophobicContact CB-CG2 4.4Å; A416-V420 VanDerWaalsContact O-CB 3.31Å; A416-V420 WeakPolarHBondContact O-CB 3.46Å; A416-V420 PolarHBondContact O-N 3.02Å; A416-V420 VanDerWaalsContact O-N 3.09Å |
| 417 | Q | 90.8 | Very high | 91 | Very high | 101 Ų | 101 | 71.2 Ų | 71.2 | 47% | 0.472 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70.1 | -30.9 | 173.6 | -172.3 | 57.6 | 57.3 | 0 | 0 | 112.8 | G415 G421 G422 R424 | G415-Q417 PolarHBondContact O-N 3.49Å; Q417-G421 PolarHBondContact O-N 2.76Å; Q417-G422 PolarHBondContact NE2-O 3.24Å; Q417-R424 VanDerWaalsContact OE1-CD 3.28Å |
| 418 | V | 93.4 | Very high | 90.5 | Very high | 62 Ų | 62 | 79.1 Ų | 79.1 | 38% | 0.376 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -85.3 | -41.7 | 178.6 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | K381 L385 L414 G415 A416 | K381-V418 HydrophobicContact CD-CG1 4.48Å; K381-V418 HydrophobicContact CG-CG1 3.92Å; L385-V418 HydrophobicContact CD2-CG1 4.02Å; L414-V418 HydrophobicContact CB-CB 4.21Å; L414-V418 HydrophobicContact CB-CG1 4.22Å; L414-V418 HydrophobicContact CD1-CG1 4.33Å; L414-V418 WeakPolarHBondContact O-CG2 3.44Å; G415-V418 PolarHBondContact O-N 3.37Å; A416-V418 VanDerWaalsContact C-N 3.34Å |
| 419 | V | 93.3 | Very high | 90.1 | Very high | 7 Ų | 7 | 84.8 Ų | 84.8 | 4% | 0.042 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -78.9 | -39.1 | -173.8 | -175.9 | 0 | 0 | 0 | 0 | 113.3 | L385 L407 L410 V411 L414 G415 | L385-V419 HydrophobicContact CD1-CG1 4.03Å; L407-V419 HydrophobicContact CB-CG1 4Å; L407-V419 HydrophobicContact CD2-CG1 3.65Å; L407-V419 HydrophobicContact CG-CG1 4.43Å; L410-V419 HydrophobicContact CB-CG1 4.31Å; L410-V419 HydrophobicContact CB-CG2 4.01Å; V411-V419 HydrophobicContact CG2-CB 3.95Å; V411-V419 HydrophobicContact CG2-CG1 3.98Å; V411-V419 HydrophobicContact CG2-CG2 4.34Å; L414-V419 HydrophobicContact CB-CG2 3.75Å; L414-V419 HydrophobicContact CD1-CG2 4.17Å; G415-V419 PolarHBondContact O-N 3.02Å |
| 420 | V | 87.5 | Confident | 89.4 | Confident | 106 Ų | 106 | 93.6 Ų | 93.6 | 64% | 0.642 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -96.1 | -24.3 | -177.6 | -171 | 0 | 0 | 0 | 0 | 111.9 | V411 A416 | V411-V420 HydrophobicContact CG2-CG2 4.48Å; A416-V420 HydrophobicContact CB-CG2 4.4Å; A416-V420 VanDerWaalsContact O-CB 3.31Å; A416-V420 WeakPolarHBondContact O-CB 3.46Å; A416-V420 PolarHBondContact O-N 3.02Å; A416-V420 VanDerWaalsContact O-N 3.09Å |
| 421 | G | 84.4 | Confident | 88.7 | Confident | 28 Ų | 28 | 99.5 Ų | 99.5 | 29% | 0.289 | 53% | 0.526 | S | S | . | . | trans | 66.1 | -162.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q417 | Q417-G421 PolarHBondContact O-N 2.76Š| ||
| 422 | G | 78.3 | Confident | 87.8 | Confident | 60 Ų | 60 | 107.3 Ų | 107.3 | 62% | 0.619 | 55% | 0.55 | S | S | * | . | S | Bend | trans | 68.9 | 172.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q417 R424 | Q417-G422 PolarHBondContact NE2-O 3.24Å; G422-R424 PolarHBondContact O-N 2.68Å |
| 423 | E | 79.1 | Confident | 86.6 | Confident | 192 Ų | 192 | 106.6 Ų | 106.6 | 90% | 0.897 | 55% | 0.545 | S | S | * | . | trans | -80.5 | 114.4 | 170.2 | -66.9 | -166.3 | 164.8 | 0 | 0 | 110.3 | T425 | E423-T425 PolarHBondContact O-N 3.06Š| ||
| 424 | R | 83 | Confident | 85.1 | Confident | 148 Ų | 148 | 110.7 Ų | 110.7 | 56% | 0.558 | 57% | 0.567 | S | S | * | * | trans | -95.2 | 98.1 | -170.2 | -64.5 | -176.7 | 64.9 | -116.1 | 0.8 | 112.2 | Q417 G422 | Q417-R424 VanDerWaalsContact OE1-CD 3.28Å; G422-R424 PolarHBondContact O-N 2.68Å | ||
| 425 | T | 87.1 | Confident | 83.6 | Confident | 120 Ų | 120 | 117.7 Ų | 117.7 | 74% | 0.736 | 60% | 0.597 | S | S | * | * | trans | -85.2 | 156.2 | 176 | 63.7 | 0 | 0 | 0 | 0 | 112.7 | E423 V427 | E423-T425 PolarHBondContact O-N 3.06Å; T425-V427 PolarHBondContact O-N 3.48Å | ||
| 426 | K | 86.4 | Confident | 82 | Confident | 178 Ų | 178 | 122.3 Ų | 122.3 | 77% | 0.774 | 62% | 0.619 | S | S | * | * | trans | -93 | 84.3 | -177.1 | -171.9 | -173.5 | 176.1 | -177.8 | 0 | 111.8 | F428 | K426-F428 WeakPolarHBondContact CE-O 3.11Š| ||
| 427 | V | 88.3 | Confident | 80.4 | Confident | 107 Ų | 107 | 130.5 Ų | 130.5 | 65% | 0.648 | 65% | 0.651 | S | S | * | * | trans | -65.3 | -49.7 | 176.5 | -176.2 | 0 | 0 | 0 | 0 | 111.8 | T425 | T425-V427 PolarHBondContact O-N 3.48Š| ||
| 428 | F | 88.2 | Confident | 78.6 | Confident | 182 Ų | 182 | 130.6 Ų | 130.6 | 80% | 0.798 | 66% | 0.663 | S | S | * | * | trans | -84.3 | 127.2 | -172.1 | -59.4 | -72.8 | 0 | 0 | 0 | 113.7 | K426 | K426-F428 WeakPolarHBondContact CE-O 3.11Š| ||
| 429 | K | 88.3 | Confident | 76.7 | Confident | 183 Ų | 183 | 134.5 Ų | 134.5 | 80% | 0.796 | 69% | 0.687 | S | S | * | * | trans | -85.2 | 140.8 | 172.8 | -64.4 | 177.1 | -176.2 | 173 | 0 | 110.2 | T431 | K429-T431 HydrophobicContact CB-CG2 4.48Å; K429-T431 PolarHBondContact O-N 3.04Å; K429-T431 VanDerWaalsContact O-N 3.13Å | ||
| 430 | R | 81.3 | Confident | 74.8 | Confident | 225 Ų | 225 | 143 Ų | 143 | 85% | 0.849 | 73% | 0.727 | S | S | * | * | trans | -83.9 | 87.5 | 178.8 | -170.1 | 179 | -170.8 | 167 | 4 | 109.7 | ||||
| 431 | T | 83.8 | Confident | 72.7 | Confident | 125 Ų | 125 | 144.6 Ų | 144.6 | 77% | 0.767 | 74% | 0.736 | S | S | * | * | trans | -84.7 | -8.5 | -174.3 | 48.7 | 0 | 0 | 0 | 0 | 115.2 | K429 P433 | K429-T431 HydrophobicContact CB-CG2 4.48Å; K429-T431 PolarHBondContact O-N 3.04Å; K429-T431 VanDerWaalsContact O-N 3.13Å; T431-P433 WeakPolarHBondContact O-CD 3.5Å | ||
| 432 | R | 77.6 | Confident | 70.7 | Confident | 211 Ų | 211 | 149.1 Ų | 149.1 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -58.9 | 123.3 | 175.5 | -73.2 | -169.4 | 179.7 | -175.4 | 0.7 | 110.4 | ||
| 433 | P | 71.2 | Confident | 69 | Low | 86 Ų | 86 | 151.7 Ų | 151.7 | 56% | 0.558 | 76% | 0.764 | S | S | * | * | trans | -60.9 | 144.2 | 176.9 | -22.7 | 33 | 0 | 0 | 0 | 112.2 | T431 F435 | T431-P433 WeakPolarHBondContact O-CD 3.5Å; P433-F435 VanDerWaalsContact C-N 3.29Å; P433-F435 HydrophobicContact CB-CD2 4.08Å; P433-F435 HydrophobicContact CB-CE2 3.72Å; P433-F435 HydrophobicContact CB-CZ 3.98Å; P433-F435 HydrophobicContact CG-CE2 3.91Å; P433-F435 HydrophobicContact CG-CZ 4.06Å; P433-F435 WeakPolarHBondContact O-CD2 3.24Å; P433-F435 PolarHBondContact O-N 3.14Å | ||
| 434 | N | 63.7 | Low | 67.3 | Low | 131 Ų | 131 | 151.6 Ų | 151.6 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | -80.7 | 74.6 | 175.5 | -72 | -34.8 | 0 | 0 | 0 | 110.5 | T436 | N434-T436 PolarHBondContact O-N 2.85Š| ||
| 435 | F | 64.3 | Low | 65.3 | Low | 170 Ų | 170 | 151.1 Ų | 151.1 | 75% | 0.746 | 78% | 0.777 | S | S | * | * | trans | -60.5 | -2 | 177.8 | -69.7 | -76.7 | 0 | 0 | 0 | 115 | P433 | P433-F435 VanDerWaalsContact C-N 3.29Å; P433-F435 HydrophobicContact CB-CD2 4.08Å; P433-F435 HydrophobicContact CB-CE2 3.72Å; P433-F435 HydrophobicContact CB-CZ 3.98Å; P433-F435 HydrophobicContact CG-CE2 3.91Å; P433-F435 HydrophobicContact CG-CZ 4.06Å; P433-F435 WeakPolarHBondContact O-CD2 3.24Å; P433-F435 PolarHBondContact O-N 3.14Å | ||
| 436 | T | 61.4 | Low | 62.7 | Low | 128 Ų | 128 | 151 Ų | 151 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -97 | 30.4 | -178.3 | 63.5 | 0 | 0 | 0 | 0 | 113.4 | N434 | N434-T436 PolarHBondContact O-N 2.85Š|
| 437 | K | 57.1 | Low | 60.6 | Low | 190 Ų | 190 | 147.7 Ų | 147.7 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -145.8 | 37.2 | 178.1 | -80.1 | -152.6 | 170.7 | -162.3 | 0 | 114.1 | ||
| 438 | S | 54.1 | Low | 58.2 | Low | 104 Ų | 104 | 148.1 Ų | 148.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -135.5 | 53 | -177.5 | -56.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 439 | T | 53.5 | Low | 55.9 | Low | 143 Ų | 143 | 146.8 Ų | 146.8 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -146.8 | 32.7 | -180 | -12 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 440 | E | 51.8 | Low | 53.3 | Low | 186 Ų | 186 | 144.6 Ų | 144.6 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | trans | -144.6 | 62.1 | 174.6 | -161 | 165 | -136.5 | 0 | 0 | 112.3 | ||||
| 441 | V | 43.9 | Very low | 51 | Low | 139 Ų | 139 | 140.5 Ų | 140.5 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | trans | -139.6 | 82.6 | 158.5 | -173.5 | 0 | 0 | 0 | 0 | 108.2 | P443 | V441-P443 WeakPolarHBondContact O-CD 3.45Š| ||
| 442 | T | 43.5 | Very low | 48.4 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | trans | -76.9 | 120.9 | 164 | 41.3 | 0 | 0 | 0 | 0 | 109 | E444 | T442-E444 PolarHBondContact O-N 2.56Š| ||
| 443 | P | 41.4 | Very low | 46.1 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -72.1 | 116.4 | 174.8 | 28.4 | -32.6 | 0 | 0 | 0 | 110.4 | V441 T445 | V441-P443 WeakPolarHBondContact O-CD 3.45Å; P443-T445 VanDerWaalsContact C-N 3.28Å; P443-T445 PolarHBondContact O-N 3.48Å | ||
| 444 | E | 43.9 | Very low | 44.2 | Very low | 191 Ų | 191 | 133.1 Ų | 133.1 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -73.1 | 72 | 176.7 | -69.6 | -163.8 | 148.5 | 0 | 0 | 112.9 | T442 | T442-E444 PolarHBondContact O-N 2.56Š|
| 445 | T | 40.8 | Very low | 42.6 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -159 | 90.6 | 148.8 | 47.4 | 0 | 0 | 0 | 0 | 110.7 | P443 | P443-T445 VanDerWaalsContact C-N 3.28Å; P443-T445 PolarHBondContact O-N 3.48Å | ||
| 446 | S | 32 | Very low | 41.3 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -145.2 | 129.8 | 155.6 | -168.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 447 | P | 42.7 | Very low | 39.8 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | trans | -92.8 | 143 | -167.2 | -1.2 | 21.8 | 0 | 0 | 0 | 113.1 | ||||
| 448 | V | 38.5 | Very low | 38.7 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | trans | 69.6 | 122.9 | 139.2 | 176.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 449 | H | 39.7 | Very low | 37.5 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | cis | -149.1 | 143.8 | 18.2 | -104.6 | -43.5 | 0 | 0 | 0 | 112.8 | ||||
| 450 | I | 33.6 | Very low | 36.4 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 70% | 0.697 | 79% | 0.789 | S | S | * | * | trans | 52.3 | 116 | 133.1 | -58.4 | 172.2 | 0 | 0 | 0 | 120.6 | ||||
| 451 | V | 32.2 | Very low | 35.4 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | 13.5 | 133 | 133.6 | -166.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 452 | G | 28.9 | Very low | 34.6 | Very low | 74 Ų | 74 | 130.5 Ų | 130.5 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | cis | 140.3 | 164.1 | 11.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 453 | G | 30.3 | Very low | 34.3 | Very low | 79 Ų | 79 | 134.4 Ų | 134.4 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | cis | -170.5 | 151.8 | -7.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 454 | S | 30.9 | Very low | 33.8 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -156.2 | 133.3 | -178.6 | 49.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 455 | H | 30.2 | Very low | 33.2 | Very low | 186 Ų | 186 | 134 Ų | 134 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -160.3 | 112.7 | 163.6 | -133.6 | -52.7 | 0 | 0 | 0 | 112.3 | ||||
| 456 | P | 37 | Very low | 32.6 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | trans | -93 | 163.7 | 155.8 | 35.5 | -30.6 | 0 | 0 | 0 | 111.6 | ||||
| 457 | Q | 29.5 | Very low | 32.7 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | 38.6 | 122 | 147.3 | -68.4 | -174.8 | -21.9 | 0 | 0 | 123 | ||||
| 458 | I | 34.2 | Very low | 32.3 | Very low | 153 Ų | 153 | 135.4 Ų | 135.4 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | 53.1 | 113.1 | 120.8 | -54.2 | 165.9 | 0 | 0 | 0 | 119 | |||||
| 459 | A | 28.1 | Very low | 32 | Very low | 95 Ų | 95 | 135.5 Ų | 135.5 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | -162.9 | 142.2 | 121.3 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 460 | Q | 31.8 | Very low | 31.6 | Very low | 191 Ų | 191 | 137.5 Ų | 137.5 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | -127.1 | 137.6 | 161.2 | -81.7 | -163.7 | -3.5 | 0 | 0 | 109.5 | ||||
| 461 | P | 29.8 | Very low | 31.5 | Very low | 126 Ų | 126 | 137 Ų | 137 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -81.6 | 151.8 | 179 | 32.8 | -34.8 | 0 | 0 | 0 | 113 | ||||
| 462 | S | 28.5 | Very low | 31.4 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -65.8 | 156.6 | -171.9 | -48.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 463 | K | 35.8 | Very low | 31.4 | Very low | 205 Ų | 205 | 137.9 Ų | 137.9 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | trans | -121.7 | 118.8 | 161.4 | -78 | -179.4 | 178.4 | 169 | 0 | 110.4 | ||||
| 464 | V | 31 | Very low | 31.3 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | -76.4 | 163.3 | 170 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 465 | L | 31 | Very low | 31.1 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | 77.2 | 73.9 | -176.3 | -53.9 | 179.8 | 0 | 0 | 0 | 115.7 | ||||
| 466 | S | 29.3 | Very low | 30.9 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -137.4 | 92.1 | 143.3 | 59.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 467 | L | 32.7 | Very low | 30.4 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | trans | -68.2 | 147 | 153.3 | -67.2 | 167 | 0 | 0 | 0 | 107.6 | ||||
| 468 | F | 35.4 | Very low | 30.4 | Very low | 135 Ų | 135 | 141 Ų | 141 | 59% | 0.592 | 81% | 0.814 | S | S | * | * | S | Bend | trans | 68.7 | 123.4 | -171.3 | -50.2 | -76.5 | 0 | 0 | 0 | 115.8 | ||
| 469 | P | 31.5 | Very low | 30.1 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 156.8 | 166.4 | -19.6 | 33 | 0 | 0 | 0 | 112.2 | ||
| 470 | K | 32.8 | Very low | 30.1 | Very low | 195 Ų | 195 | 144.2 Ų | 144.2 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -93 | 140.1 | 172.1 | -72.2 | 175.6 | -178.8 | 167.8 | 0 | 110.8 | ||
| 471 | P | 30.5 | Very low | 29.9 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 141.6 | 175.7 | 28.4 | -34.7 | 0 | 0 | 0 | 111.6 | A473 | P471-A473 PolarHBondContact O-N 3.24Š|
| 472 | V | 30.8 | Very low | 29.7 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 122.5 | 172 | 176.9 | 0 | 0 | 0 | 0 | 109.1 | V474 | V472-V474 PolarHBondContact O-N 2.7Å; V472-V474 VanDerWaalsContact O-N 3.13Å |
| 473 | A | 27.8 | Very low | 29.7 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | -77.5 | 98.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P471 R475 | P471-A473 PolarHBondContact O-N 3.24Å; A473-R475 PolarHBondContact O-N 3.38Å | ||
| 474 | V | 28.5 | Very low | 29.2 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -68 | 102.9 | 170.7 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | V472 | V472-V474 PolarHBondContact O-N 2.7Å; V472-V474 VanDerWaalsContact O-N 3.13Å | ||
| 475 | R | 27.5 | Very low | 29 | Very low | 236 Ų | 236 | 137.2 Ų | 137.2 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | trans | -90.4 | 112 | 167.3 | -177.9 | 178.8 | -66.9 | -140.8 | -0.7 | 108.5 | A473 | A473-R475 PolarHBondContact O-N 3.38Š| ||
| 476 | G | 25.3 | Very low | 28.9 | Very low | 75 Ų | 75 | 137.3 Ų | 137.3 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -62.4 | 142.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 477 | G | 25.9 | Very low | 28.8 | Very low | 75 Ų | 75 | 141.4 Ų | 141.4 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -152.5 | 115.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 478 | L | 29.4 | Very low | 28.5 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 96% | 0.958 | 82% | 0.817 | S | S | * | * | trans | -79.1 | 122.4 | 178.5 | -74 | 158.9 | 0 | 0 | 0 | 110.4 | ||||
| 479 | V | 28 | Very low | 28.1 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 87% | 0.873 | 83% | 0.833 | S | S | * | * | trans | -139.1 | 135.8 | 158.7 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 480 | L | 28.8 | Very low | 27.8 | Very low | 173 Ų | 173 | 147.5 Ų | 147.5 | 91% | 0.906 | 84% | 0.838 | S | S | * | * | trans | -96.8 | 142 | 179 | -162.5 | 81.6 | 0 | 0 | 0 | 109.7 | ||||
| 481 | G | 26.8 | Very low | 27.4 | Very low | 72 Ų | 72 | 144.4 Ų | 144.4 | 74% | 0.742 | 84% | 0.835 | S | S | * | * | trans | -176 | 120 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 482 | N | 26.9 | Very low | 27.1 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | trans | -94.2 | 160.8 | 174.4 | -64 | -6.8 | 0 | 0 | 0 | 111 | ||||
| 483 | I | 28.2 | Very low | 26.8 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 82% | 0.821 | 83% | 0.834 | S | S | * | * | trans | 147.5 | 139.8 | 131.9 | -77.7 | 168.8 | 0 | 0 | 0 | 112.7 | ||||
| 484 | D | 26.1 | Very low | 26.6 | Very low | 134 Ų | 134 | 150.8 Ų | 150.8 | 72% | 0.717 | 83% | 0.832 | S | S | * | * | trans | -61.8 | 153.6 | -165.3 | -51.8 | -86.3 | 0 | 0 | 0 | 119 | ||||
| 485 | S | 26.3 | Very low | 26.5 | Very low | 106 Ų | 106 | 154 Ų | 154 | 74% | 0.741 | 83% | 0.83 | S | S | * | * | trans | 69.6 | 135.9 | 139.9 | 77.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 486 | L | 27.8 | Very low | 26.4 | Very low | 167 Ų | 167 | 147.6 Ų | 147.6 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | -161.9 | 153.9 | 105.1 | -105.6 | 169.2 | 0 | 0 | 0 | 111.2 | |||||
| 487 | Q | 27.3 | Very low | 26.4 | Very low | 190 Ų | 190 | 152.1 Ų | 152.1 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | trans | -84.3 | 136.2 | 171.5 | -65.8 | 173.9 | -21.1 | 0 | 0 | 109.9 | ||||
| 488 | A | 26.7 | Very low | 26.7 | Very low | 107 Ų | 107 | 153.4 Ų | 153.4 | 88% | 0.884 | 82% | 0.822 | S | S | * | * | trans | -142.7 | 132.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 489 | R | 26.9 | Very low | 26.7 | Very low | 241 Ų | 241 | 150.9 Ų | 150.9 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -127 | 108.2 | -175.4 | 168.6 | -158.9 | -177.2 | -177.5 | 4.1 | 107.1 | ||||
| 490 | E | 25.6 | Very low | 26.6 | Very low | 188 Ų | 188 | 153.7 Ų | 153.7 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -143.3 | 113.4 | 175.6 | -147.3 | 153.7 | -124.1 | 0 | 0 | 113.5 | ||||
| 491 | T | 23.9 | Very low | 26.6 | Very low | 130 Ų | 130 | 151.7 Ų | 151.7 | 80% | 0.798 | 82% | 0.817 | S | S | * | * | trans | -82.6 | 131.4 | 168.3 | 48 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 492 | T | 25.4 | Very low | 26.6 | Very low | 135 Ų | 135 | 151.8 Ų | 151.8 | 83% | 0.828 | 82% | 0.818 | S | S | * | * | trans | -138.7 | 138 | 155.6 | -68.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 493 | R | 24.7 | Very low | 26.6 | Very low | 210 Ų | 210 | 150.4 Ų | 150.4 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | trans | -59.3 | 149.6 | -168.8 | -63.5 | 162.7 | 176.4 | 161.3 | -1.3 | 115.7 | ||||
| 494 | I | 23.8 | Very low | 26.5 | Very low | 147 Ų | 147 | 148.1 Ų | 148.1 | 75% | 0.754 | 82% | 0.819 | S | S | * | * | trans | -43.2 | 138.6 | 152.9 | -61.3 | 156.8 | 0 | 0 | 0 | 111.4 | ||||
| 495 | Y | 25.8 | Very low | 26.5 | Very low | 208 Ų | 208 | 152 Ų | 152 | 82% | 0.816 | 82% | 0.823 | S | S | * | * | trans | -134.3 | 131.6 | 153.6 | -89.4 | -83.5 | 0 | 0 | 0 | 109.5 | ||||
| 496 | S | 24.1 | Very low | 26.5 | Very low | 102 Ų | 102 | 156.2 Ų | 156.2 | 71% | 0.713 | 83% | 0.831 | S | S | * | * | trans | -117.4 | 135.7 | -175.9 | -41.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 497 | L | 26.4 | Very low | 26.4 | Very low | 171 Ų | 171 | 154.9 Ų | 154.9 | 90% | 0.895 | 82% | 0.823 | S | S | * | * | trans | -159.7 | 166.1 | 167.1 | -101.6 | 170.4 | 0 | 0 | 0 | 108 | ||||
| 498 | P | 31.4 | Very low | 26.3 | Very low | 102 Ų | 102 | 151.2 Ų | 151.2 | 66% | 0.662 | 82% | 0.819 | S | S | * | * | -114.9 | 174.9 | -120.9 | 41.5 | -29.3 | 0 | 0 | 0 | 113.6 | |||||
| 499 | P | 30.7 | Very low | 26.3 | Very low | 129 Ų | 129 | 153.1 Ų | 153.1 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | trans | -72.2 | 153.7 | -167.8 | 29.5 | -36.8 | 0 | 0 | 0 | 113.5 | ||||
| 500 | K | 25.8 | Very low | 26.6 | Very low | 204 Ų | 204 | 146.7 Ų | 146.7 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | trans | -115 | 127 | 164.4 | -74.8 | -172.6 | 175.4 | -178.4 | 0 | 110 | ||||
| 501 | S | 28.6 | Very low | 26.8 | Very low | 131 Ų | 131 | 144 Ų | 144 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | -65.5 | 141 | 165.2 | 42.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 502 | G | 25.4 | Very low | 26.9 | Very low | 73 Ų | 73 | 145.1 Ų | 145.1 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -160.3 | 76.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111 | S504 | G502-S504 PolarHBondContact O-N 3.23Š| ||
| 503 | S | 26.7 | Very low | 27.1 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -63.6 | 119.5 | 170.2 | 178.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 504 | S | 26.4 | Very low | 27.3 | Very low | 113 Ų | 113 | 140 Ų | 140 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -123.6 | 115.3 | 167.4 | -166.9 | 0 | 0 | 0 | 0 | 107.8 | G502 | G502-S504 PolarHBondContact O-N 3.23Š| ||
| 505 | R | 27.3 | Very low | 27.4 | Very low | 215 Ų | 215 | 138.2 Ų | 138.2 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -73.8 | 134.6 | 175.5 | -69.6 | 169.8 | 166.8 | 163.2 | -7.5 | 108.6 | I507 | R505-I507 PolarHBondContact O-N 3.13Š| ||
| 506 | E | 25.5 | Very low | 27.5 | Very low | 194 Ų | 194 | 138 Ų | 138 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | trans | -64.7 | 124.2 | 160.5 | -66.9 | -169.2 | 123.8 | 0 | 0 | 108.8 | ||||
| 507 | I | 25.8 | Very low | 27.6 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | trans | -105.7 | 95.6 | 173.7 | -62 | 176.6 | 0 | 0 | 0 | 107 | R505 L509 | R505-I507 PolarHBondContact O-N 3.13Å; I507-L509 HydrophobicContact CG2-CD1 3.92Å; I507-L509 HydrophobicContact CG2-CG 3.89Å | ||
| 508 | S | 25.6 | Very low | 27.7 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -81.8 | 122.7 | 163.1 | 47.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 509 | L | 25.8 | Very low | 27.5 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | -136.1 | 151.9 | 170.6 | -76.3 | 177.2 | 0 | 0 | 0 | 110.5 | I507 | I507-L509 HydrophobicContact CG2-CD1 3.92Å; I507-L509 HydrophobicContact CG2-CG 3.89Å | ||
| 510 | P | 34.1 | Very low | 27.3 | Very low | 106 Ų | 106 | 142.9 Ų | 142.9 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | trans | -126.3 | -146.4 | -149.3 | 28 | -3.1 | 0 | 0 | 0 | 112.4 | ||||
| 511 | L | 28.7 | Very low | 27.3 | Very low | 133 Ų | 133 | 141 Ų | 141 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | trans | 78.6 | 154 | 179 | -75.8 | 83.5 | 0 | 0 | 0 | 114.8 | ||||
| 512 | N | 27.8 | Very low | 27.1 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | cis | -75.8 | 153 | 14.6 | -56.5 | -49.1 | 0 | 0 | 0 | 114.7 | ||||
| 513 | G | 29.4 | Very low | 27.1 | Very low | 51 Ų | 51 | 140.4 Ų | 140.4 | 53% | 0.526 | 76% | 0.756 | S | S | . | * | cis | 108 | 136.8 | 14.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 514 | F | 27.7 | Very low | 27.1 | Very low | 185 Ų | 185 | 145.3 Ų | 145.3 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | cis | -143.2 | 176.3 | 10 | -86.6 | -100.7 | 0 | 0 | 0 | 108.2 | ||||
| 515 | S | 26.8 | Very low | 27 | Very low | 111 Ų | 111 | 145 Ų | 145 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | cis | -153.8 | 156.8 | 4.1 | 40.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 516 | K | 26.5 | Very low | 27.9 | Very low | 202 Ų | 202 | 139.7 Ų | 139.7 | 88% | 0.878 | 75% | 0.748 | S | S | * | * | trans | -149.3 | 128.5 | 167 | -171.7 | -177.6 | -177.6 | -174.7 | 0 | 111.2 | ||||
| 517 | N | 27.2 | Very low | 27.9 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 67% | 0.674 | 74% | 0.743 | S | S | * | * | trans | -154.8 | 150.8 | 161.7 | -94.2 | 21.3 | 0 | 0 | 0 | 104.6 | ||||
| 518 | E | 28.9 | Very low | 28 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | cis | -156.8 | 158.8 | -2.5 | -117.9 | 149.8 | 174 | 0 | 0 | 108.2 | ||||
| 519 | E | 27.3 | Very low | 28.8 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | trans | 59 | 173.6 | 155.1 | -65.6 | 164.4 | -165.3 | 0 | 0 | 119.3 | ||||
| 520 | E | 27 | Very low | 28.9 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | -147.8 | 178.8 | -70.5 | -144.5 | 166.6 | -148.5 | 0 | 0 | 110.6 | |||||
| 521 | E | 25.7 | Very low | 28.5 | Very low | 165 Ų | 165 | 147.7 Ų | 147.7 | 77% | 0.771 | 76% | 0.761 | S | S | * | * | trans | 51 | 113.9 | 161 | -59.7 | -155.3 | 128.2 | 0 | 0 | 123.4 | ||||
| 522 | S | 24.5 | Very low | 29.2 | Very low | 95 Ų | 95 | 145.7 Ų | 145.7 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | 81.3 | 111.3 | 123.8 | 78.6 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 523 | S | 23.7 | Very low | 29.2 | Very low | 96 Ų | 96 | 147.6 Ų | 147.6 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | 77 | 150.3 | 121.9 | 76.7 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 524 | Y | 26.7 | Very low | 29.1 | Very low | 226 Ų | 226 | 149 Ų | 149 | 89% | 0.886 | 77% | 0.774 | S | S | * | * | trans | 77.1 | 150 | 166.2 | -72.1 | -77.3 | 0 | 0 | 0 | 120.8 | ||||
| 525 | S | 24.5 | Very low | 29.1 | Very low | 107 Ų | 107 | 151.9 Ų | 151.9 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -108.5 | -170.4 | -171.4 | -23.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 526 | P | 46.9 | Very low | 29.1 | Very low | 103 Ų | 103 | 152 Ų | 152 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | cis | -134 | -152 | -12.1 | 30.5 | -5.3 | 0 | 0 | 0 | 112.6 | ||||
| 527 | D | 26.4 | Very low | 29.3 | Very low | 151 Ų | 151 | 151.4 Ų | 151.4 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | 96.1 | 147 | 151.7 | -61.1 | -24.9 | 0 | 0 | 0 | 121.8 | ||||
| 528 | Q | 26.3 | Very low | 29.4 | Very low | 183 Ų | 183 | 149 Ų | 149 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -102.9 | -174.5 | 168.8 | -46.9 | -177.8 | -23.5 | 0 | 0 | 108.4 | ||||
| 529 | P | 44.1 | Very low | 29.5 | Very low | 106 Ų | 106 | 151.1 Ų | 151.1 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | cis | -133.9 | -155 | -5.3 | 31.8 | -7.4 | 0 | 0 | 0 | 113.3 | ||||
| 530 | E | 27.7 | Very low | 29.8 | Very low | 189 Ų | 189 | 150.3 Ų | 150.3 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | 102.8 | 170.1 | 155.6 | -52.6 | -137.5 | 136.7 | 0 | 0 | 120 | ||||
| 531 | R | 25.2 | Very low | 30.1 | Very low | 237 Ų | 237 | 153.9 Ų | 153.9 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | trans | -137.2 | -178.9 | -159.2 | -125.1 | -172.8 | 175.5 | -178.3 | -0.9 | 106.5 | ||||
| 532 | P | 42.6 | Very low | 30.7 | Very low | 92 Ų | 92 | 150.9 Ų | 150.9 | 60% | 0.597 | 79% | 0.79 | S | S | * | * | cis | -133.5 | -163.4 | -20.2 | 40.9 | -22.9 | 0 | 0 | 0 | 112.8 | ||||
| 533 | E | 27.8 | Very low | 31 | Very low | 193 Ų | 193 | 153.6 Ų | 153.6 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | 72.4 | 135.6 | 155.3 | -71.3 | 175.8 | -142.4 | 0 | 0 | 120.8 | ||||
| 534 | G | 27.6 | Very low | 31.6 | Very low | 79 Ų | 79 | 159.9 Ų | 159.9 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | 166 | 40.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 535 | R | 27 | Very low | 31.8 | Very low | 246 Ų | 246 | 154.2 Ų | 154.2 | 93% | 0.928 | 80% | 0.8 | S | S | * | * | trans | -10.3 | 132.4 | 175.5 | -71 | 176 | 167 | -178.7 | -4.9 | 119.2 | ||||
| 536 | S | 27.6 | Very low | 32.1 | Very low | 113 Ų | 113 | 157 Ų | 157 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | -165.5 | 135.8 | 112.7 | 17.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 537 | Q | 30.4 | Very low | 32.2 | Very low | 190 Ų | 190 | 157 Ų | 157 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | 12.8 | 136 | 163.9 | -69.2 | 165.5 | -87.2 | 0 | 0 | 122.5 | ||||
| 538 | A | 30.1 | Very low | 32.6 | Very low | 75 Ų | 75 | 158.2 Ų | 158.2 | 62% | 0.62 | 81% | 0.807 | S | S | * | * | trans | -107 | 171.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 539 | E | 30.9 | Very low | 33.2 | Very low | 185 Ų | 185 | 158.2 Ų | 158.2 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | 172.7 | 86.4 | 156 | -99.4 | 160.2 | -145 | 0 | 0 | 105.1 | ||||
| 540 | D | 34.3 | Very low | 32.5 | Very low | 153 Ų | 153 | 156.4 Ų | 156.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | 67.6 | 140.5 | 76.1 | -76.7 | -41.7 | 0 | 0 | 0 | 115.9 | |||||
| 541 | W | 33.2 | Very low | 32.8 | Very low | 247 Ų | 247 | 156.3 Ų | 156.3 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | trans | -105.9 | 155.8 | -176.5 | -76.7 | 71.2 | 0 | 0 | 0 | 111.2 | ||||
| 542 | P | 36.7 | Very low | 33 | Very low | 103 Ų | 103 | 153.1 Ų | 153.1 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | trans | -77.3 | 131.8 | -172.6 | -12.7 | 29.3 | 0 | 0 | 0 | 113.6 | ||||
| 543 | D | 31.3 | Very low | 32.4 | Very low | 152 Ų | 152 | 157 Ų | 157 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -84.4 | 163.8 | 161.1 | -165.8 | 7.7 | 0 | 0 | 0 | 110.6 | ||||
| 544 | W | 35.9 | Very low | 32.5 | Very low | 228 Ų | 228 | 156.2 Ų | 156.2 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -135.7 | 96.3 | -179.7 | -77.6 | 95 | 0 | 0 | 0 | 112.1 | ||||
| 545 | S | 31 | Very low | 33.4 | Very low | 107 Ų | 107 | 157.1 Ų | 157.1 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -161.5 | 116.6 | 163.3 | -78.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 546 | D | 31.2 | Very low | 33.3 | Very low | 166 Ų | 166 | 151.4 Ų | 151.4 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -163.2 | 146 | 162.6 | -104.7 | -28 | 0 | 0 | 0 | 110.7 | ||||
| 547 | P | 49.8 | Very low | 33.4 | Very low | 103 Ų | 103 | 154.1 Ų | 154.1 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | trans | -115.1 | -167.7 | 179.8 | 42.6 | -33.8 | 0 | 0 | 0 | 115 | ||||
| 548 | E | 34.3 | Very low | 33.2 | Very low | 176 Ų | 176 | 152.1 Ų | 152.1 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | 75.5 | 148 | 166.4 | -64.5 | 173 | -174.2 | 0 | 0 | 117 | ||||
| 549 | E | 38 | Very low | 32.9 | Very low | 182 Ų | 182 | 156 Ų | 156 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | cis | -157.5 | 161.5 | -2.2 | -135 | -171.9 | -179.3 | 0 | 0 | 113.7 | ||||
| 550 | G | 31 | Very low | 32.7 | Very low | 69 Ų | 69 | 154.9 Ų | 154.9 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | 73.9 | 152.2 | 153.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 551 | E | 34 | Very low | 32.3 | Very low | 186 Ų | 186 | 155.3 Ų | 155.3 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | cis | -160.5 | 148.7 | -16.2 | -82.4 | -158.8 | 119.9 | 0 | 0 | 110.6 | ||||
| 552 | Q | 28.2 | Very low | 32.1 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | 159 | 116.9 | 128.8 | -87.3 | -171.9 | -17.1 | 0 | 0 | 115.2 | |||||
| 553 | E | 29.5 | Very low | 31.7 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | trans | 43.2 | 148.8 | 139.3 | -59.1 | -176.1 | 177.2 | 0 | 0 | 123.4 | ||||
| 554 | Q | 30.4 | Very low | 31.5 | Very low | 176 Ų | 176 | 146.9 Ų | 146.9 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | cis | 174.5 | 178 | -30.8 | -113.8 | -160.4 | 32.9 | 0 | 0 | 107.9 | ||||
| 555 | P | 46.8 | Very low | 31.1 | Very low | 98 Ų | 98 | 146.3 Ų | 146.3 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | cis | -135.1 | -148.9 | -37.2 | 39.5 | -19.2 | 0 | 0 | 0 | 112.9 | ||||
| 556 | V | 24.9 | Very low | 30.9 | Very low | 127 Ų | 127 | 148.3 Ų | 148.3 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | 86.4 | 114.7 | 174 | -169 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 557 | Q | 29.2 | Very low | 30.8 | Very low | 170 Ų | 170 | 151 Ų | 151 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | cis | 122.3 | 112.7 | -3.8 | -172.9 | -173 | 23.9 | 0 | 0 | 113.4 | ||||
| 558 | T | 25.8 | Very low | 29.7 | Very low | 148 Ų | 148 | 153.5 Ų | 153.5 | 91% | 0.908 | 79% | 0.794 | S | S | * | * | trans | -154.2 | 143.6 | 134.1 | 23.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 559 | H | 24.1 | Very low | 29.3 | Very low | 156 Ų | 156 | 153.9 Ų | 153.9 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | -107.9 | 169.3 | 179 | -158.3 | -0.9 | 0 | 0 | 0 | 108.6 | ||||
| 560 | I | 27 | Very low | 28.8 | Very low | 162 Ų | 162 | 154.8 Ų | 154.8 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | -174.9 | 157.8 | 91.8 | -86.5 | 162.2 | 0 | 0 | 0 | 108.1 | |||||
| 561 | Q | 26 | Very low | 28.9 | Very low | 161 Ų | 161 | 160.2 Ų | 160.2 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | -133.9 | 169.9 | -178 | -170.9 | -176.3 | -0.3 | 0 | 0 | 110.3 | ||||
| 562 | A | 28.2 | Very low | 29.5 | Very low | 87 Ų | 87 | 155.9 Ų | 155.9 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | trans | 79.2 | 152.5 | 158 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 563 | S | 29.5 | Very low | 29.7 | Very low | 108 Ų | 108 | 158.2 Ų | 158.2 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | cis | -174.7 | 179.9 | -16.2 | 49.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 564 | D | 27.3 | Very low | 29.7 | Very low | 131 Ų | 131 | 155.4 Ų | 155.4 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | 113.4 | 168 | 140 | -132.6 | -19.6 | 0 | 0 | 0 | 119.4 | ||||
| 565 | R | 27.8 | Very low | 29.7 | Very low | 216 Ų | 216 | 153.3 Ų | 153.3 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | trans | -103.4 | 166.6 | -154.1 | -53.3 | 144.6 | 166.8 | 157.9 | -11.1 | 115.1 | ||||
| 566 | T | 26.8 | Very low | 28.8 | Very low | 149 Ų | 149 | 155.8 Ų | 155.8 | 91% | 0.914 | 79% | 0.794 | S | S | * | * | -170.9 | 175.6 | 115.4 | 26.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 567 | R | 27.5 | Very low | 29 | Very low | 223 Ų | 223 | 157.9 Ų | 157.9 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -101 | 166.9 | 176.4 | -67 | 173.3 | 164.4 | 171.7 | -7 | 111.7 | ||||
| 568 | D | 26.4 | Very low | 29.1 | Very low | 155 Ų | 155 | 156 Ų | 156 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | -175.3 | -171 | 106.4 | -88.9 | -18.9 | 0 | 0 | 0 | 112.5 | |||||
| 569 | Q | 27.6 | Very low | 29.2 | Very low | 183 Ų | 183 | 154.3 Ų | 154.3 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | -104.8 | 158 | -159.9 | -56.2 | 174.2 | -43.7 | 0 | 0 | 114.2 | ||||
| 570 | E | 26.1 | Very low | 29.5 | Very low | 202 Ų | 202 | 155.3 Ų | 155.3 | 94% | 0.944 | 79% | 0.786 | S | S | * | * | -172 | 158.8 | 129.6 | -106.9 | 170.8 | -169.2 | 0 | 0 | 112.6 | |||||
| 571 | E | 34.8 | Very low | 30.2 | Very low | 182 Ų | 182 | 152.9 Ų | 152.9 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -142.1 | 151.4 | 178.5 | -140 | -177.9 | -121.7 | 0 | 0 | 105.8 | ||||
| 572 | P | 44.9 | Very low | 30.4 | Very low | 96 Ų | 96 | 150.7 Ų | 150.7 | 62% | 0.623 | 78% | 0.778 | S | S | * | * | -166.9 | 178.4 | 84.6 | 41.5 | -18.3 | 0 | 0 | 0 | 120.1 | |||||
| 573 | W | 33.7 | Very low | 30.4 | Very low | 219 Ų | 219 | 155.9 Ų | 155.9 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | trans | 78.2 | 109.5 | 151.3 | -57.3 | 128.3 | 0 | 0 | 0 | 124 | ||||
| 574 | D | 29.8 | Very low | 30.4 | Very low | 115 Ų | 115 | 157.3 Ų | 157.3 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | 73.4 | 116.3 | 118.3 | -78.2 | 29.8 | 0 | 0 | 0 | 127.5 | |||||
| 575 | N | 28.8 | Very low | 30.5 | Very low | 132 Ų | 132 | 159.3 Ų | 159.3 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | 51.7 | 126.5 | 112.5 | -55.5 | -29.6 | 0 | 0 | 0 | 123.2 | |||||
| 576 | V | 27.6 | Very low | 30.7 | Very low | 150 Ų | 150 | 154.1 Ų | 154.1 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | -144.8 | 151.5 | 117.3 | -172.4 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 577 | E | 31.1 | Very low | 31.9 | Very low | 171 Ų | 171 | 152.5 Ų | 152.5 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | trans | -128.7 | -176.9 | -172 | -163.5 | 165.1 | -156 | 0 | 0 | 111.9 | ||||
| 578 | D | 30.2 | Very low | 31.9 | Very low | 131 Ų | 131 | 148.2 Ų | 148.2 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | 86.2 | 103.5 | 158.4 | -81.1 | -40.2 | 0 | 0 | 0 | 124.8 | ||||
| 579 | T | 28.9 | Very low | 32.2 | Very low | 111 Ų | 111 | 145 Ų | 145 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | 66.1 | 107.5 | 97.6 | -53.2 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 580 | E | 30.1 | Very low | 32.8 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | 57.2 | 178.2 | 137.4 | -79.4 | -162.6 | -170.4 | 0 | 0 | 121 | ||||
| 581 | P | 41.2 | Very low | 33.2 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | cis | -132.5 | -169 | 5.6 | 43.9 | -25.3 | 0 | 0 | 0 | 117.6 | ||||
| 582 | T | 30.4 | Very low | 33.7 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | -74.7 | 171.6 | 179.4 | 50.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 583 | F | 28.2 | Very low | 32.9 | Very low | 196 Ų | 196 | 139.4 Ų | 139.4 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -168 | 157.9 | 133.6 | -102.6 | -61.7 | 0 | 0 | 0 | 114 | ||||
| 584 | D | 28.3 | Very low | 34.2 | Very low | 137 Ų | 137 | 134 Ų | 134 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | -79.7 | 167.8 | -176.5 | -54.8 | -89.8 | 0 | 0 | 0 | 115.8 | ||||
| 585 | L | 30.8 | Very low | 34.2 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | 172.7 | 146.1 | 109.2 | -89.3 | 170 | 0 | 0 | 0 | 115 | |||||
| 586 | S | 31 | Very low | 34.4 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -97.2 | -165.1 | 167.9 | -41.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 587 | P | 52.1 | Low | 34.6 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | cis | -140.1 | -167.1 | -5.8 | 40.6 | -20 | 0 | 0 | 0 | 115 | ||||
| 588 | T | 27.7 | Very low | 34.4 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | trans | 138.4 | 141.9 | 135.2 | -55.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 589 | A | 32.3 | Very low | 34.5 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | -138.4 | 161.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 590 | P | 40.9 | Very low | 35.5 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | trans | -138.8 | 164.1 | 146.5 | 37.4 | -23.2 | 0 | 0 | 0 | 115 | ||||
| 591 | I | 34.3 | Very low | 36.2 | Very low | 148 Ų | 148 | 127.5 Ų | 127.5 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | -107.8 | 163.9 | 176.5 | -24 | 177.3 | 0 | 0 | 0 | 109.6 | ||||
| 592 | P | 45.9 | Very low | 36.6 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | -151 | 168.1 | 95.1 | 38.2 | -19.3 | 0 | 0 | 0 | 118.3 | |||||
| 593 | D | 27.8 | Very low | 37.5 | Very low | 141 Ų | 141 | 127.8 Ų | 127.8 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | -86.2 | -169.8 | -179.5 | -88.7 | -55 | 0 | 0 | 0 | 115.4 | ||||
| 594 | P | 60.7 | Low | 37.5 | Very low | 105 Ų | 105 | 126.8 Ų | 126.8 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | cis | -139.9 | -173.2 | -42.8 | 38.9 | -21.8 | 0 | 0 | 0 | 114 | ||||
| 595 | V | 30.3 | Very low | 37.6 | Very low | 140 Ų | 140 | 127.6 Ų | 127.6 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | 167.4 | 164.9 | 139.9 | 145.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 596 | V | 32.5 | Very low | 37.6 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 66% | 0.655 | 78% | 0.781 | S | S | * | * | -172.8 | 128.6 | -61.9 | 115.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 597 | L | 32.3 | Very low | 37.4 | Very low | 151 Ų | 151 | 131 Ų | 131 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | 60.5 | 163.5 | 157.9 | -54 | 176.1 | 0 | 0 | 0 | 119.7 | ||||
| 598 | T | 27 | Very low | 36.3 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | cis | -159.3 | 174.5 | 2.7 | -8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 599 | A | 31.8 | Very low | 36.3 | Very low | 87 Ų | 87 | 132.9 Ų | 132.9 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | trans | -150.2 | -177.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 600 | P | 50.6 | Low | 36.9 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | cis | -114.4 | -111.4 | -12 | 36.3 | -14.1 | 0 | 0 | 0 | 110.5 | ||||
| 601 | P | 42.9 | Very low | 36.3 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | cis | -127.7 | 173.6 | -12.8 | 43.9 | -27.7 | 0 | 0 | 0 | 117 | ||||
| 602 | P | 50.2 | Low | 36 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | trans | -104 | -159.9 | 166.6 | 43.7 | -36.8 | 0 | 0 | 0 | 111.9 | ||||
| 603 | P | 50.1 | Low | 35.1 | Very low | 117 Ų | 117 | 138 Ų | 138 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | cis | -134.8 | -169 | -10 | 44.5 | -27.6 | 0 | 0 | 0 | 114.9 | ||||
| 604 | L | 28.1 | Very low | 35 | Very low | 175 Ų | 175 | 134.8 Ų | 134.8 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | trans | -168.8 | 158.4 | 145 | -109 | 176.8 | 0 | 0 | 0 | 116.1 | ||||
| 605 | N | 29.7 | Very low | 33.7 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -101.2 | 160.6 | -179.7 | -95 | -23.2 | 0 | 0 | 0 | 113.4 | ||||
| 606 | L | 30.3 | Very low | 33.9 | Very low | 175 Ų | 175 | 138 Ų | 138 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -159.1 | 162 | 147.5 | -112.5 | 175 | 0 | 0 | 0 | 112.9 | ||||
| 607 | M | 28.8 | Very low | 34.1 | Very low | 179 Ų | 179 | 138.1 Ų | 138.1 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | -132.1 | 160.3 | -175.6 | -87.1 | -170.3 | 167.4 | 0 | 0 | 113 | ||||
| 608 | A | 28.6 | Very low | 33.9 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | 81.8 | 134.6 | 150.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 609 | E | 28.1 | Very low | 33.9 | Very low | 182 Ų | 182 | 142.4 Ų | 142.4 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | trans | -46.1 | -175.2 | 156.1 | -75.2 | -166.5 | 129.8 | 0 | 0 | 117 | ||||
| 610 | P | 43 | Very low | 33.5 | Very low | 98 Ų | 98 | 145.2 Ų | 145.2 | 64% | 0.636 | 82% | 0.821 | S | S | * | * | cis | -132.9 | 176.3 | -6.2 | 19.4 | 5 | 0 | 0 | 0 | 115.5 | ||||
| 611 | L | 28.6 | Very low | 32.3 | Very low | 181 Ų | 181 | 143.9 Ų | 143.9 | 95% | 0.948 | 82% | 0.815 | S | S | * | * | trans | -134.1 | 148.5 | 147 | -93.8 | 175.3 | 0 | 0 | 0 | 111.9 | ||||
| 612 | R | 28.8 | Very low | 31.5 | Very low | 246 Ų | 246 | 149 Ų | 149 | 93% | 0.928 | 82% | 0.821 | S | S | * | * | trans | -112.1 | 142.7 | -165.9 | -78.5 | -176.6 | 167.8 | -159.6 | -1.2 | 115.1 | ||||
| 613 | G | 26.7 | Very low | 30.3 | Very low | 75 Ų | 75 | 149.3 Ų | 149.3 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | 168.8 | 127.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 614 | G | 26.6 | Very low | 29.5 | Very low | 74 Ų | 74 | 152.1 Ų | 152.1 | 76% | 0.763 | 82% | 0.824 | S | S | * | * | cis | 89.3 | 113.9 | 9.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 615 | S | 32.5 | Very low | 29.4 | Very low | 115 Ų | 115 | 153.6 Ų | 153.6 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | cis | -146.8 | -162.6 | 2.2 | -56.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 616 | K | 35 | Very low | 29.4 | Very low | 196 Ų | 196 | 151.3 Ų | 151.3 | 85% | 0.852 | 83% | 0.825 | S | S | * | * | cis | -163.4 | 157 | 17.6 | -140.6 | 157.2 | -177.4 | 178.1 | 0 | 109.1 | ||||
| 617 | P | 37.2 | Very low | 29.1 | Very low | 111 Ų | 111 | 150.1 Ų | 150.1 | 72% | 0.721 | 82% | 0.819 | S | S | * | * | trans | -97.9 | 167.8 | -163.6 | 38.6 | -36.2 | 0 | 0 | 0 | 115.4 | ||||
| 618 | L | 27.9 | Very low | 29.1 | Very low | 182 Ų | 182 | 149.7 Ų | 149.7 | 95% | 0.953 | 82% | 0.815 | S | S | * | * | trans | -130 | 168.1 | 157.5 | -78 | 179.7 | 0 | 0 | 0 | 111.4 | ||||
| 619 | K | 27.2 | Very low | 28.9 | Very low | 193 Ų | 193 | 156 Ų | 156 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | trans | -143.4 | 167.6 | -161.5 | -164.9 | 179.8 | -177 | -179.8 | 0 | 109.9 | ||||
| 620 | L | 22.8 | Very low | 28.7 | Very low | 146 Ų | 146 | 155.9 Ų | 155.9 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | trans | 89.1 | 100.7 | 168.5 | -57.4 | 162.1 | 0 | 0 | 0 | 117.1 | ||||
| 621 | S | 26.3 | Very low | 27.8 | Very low | 94 Ų | 94 | 157.2 Ų | 157.2 | 66% | 0.657 | 82% | 0.82 | S | S | * | * | 22.3 | 142.2 | 121.1 | 60.9 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 622 | Y | 25.9 | Very low | 27.5 | Very low | 218 Ų | 218 | 154.6 Ų | 154.6 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | -149.8 | 178.3 | 121.1 | -134.6 | -101.3 | 0 | 0 | 0 | 113.7 | |||||
| 623 | N | 24.8 | Very low | 27.4 | Very low | 122 Ų | 122 | 148.6 Ų | 148.6 | 65% | 0.652 | 80% | 0.802 | S | S | * | * | trans | -91.6 | 160.4 | -160.4 | -64.7 | -84.3 | 0 | 0 | 0 | 115.5 | ||||
| 624 | L | 32.9 | Very low | 27.3 | Very low | 176 Ų | 176 | 151 Ų | 151 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -48.2 | 137 | 152.6 | -79.2 | 160.9 | 0 | 0 | 0 | 111.7 | ||||
| 625 | K | 25.4 | Very low | 27.3 | Very low | 205 Ų | 205 | 152.1 Ų | 152.1 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | trans | -155 | 122.7 | 155.6 | -117.1 | 176.6 | -175.2 | 178.7 | 0 | 110.7 | ||||
| 626 | A | 31.1 | Very low | 27 | Very low | 105 Ų | 105 | 151.2 Ų | 151.2 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | trans | -78.6 | 152.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 627 | L | 23.7 | Very low | 26.7 | Very low | 151 Ų | 151 | 153.2 Ų | 153.2 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -153.7 | 110.7 | 159.8 | -175.2 | 59.6 | 0 | 0 | 0 | 110.9 | ||||
| 628 | E | 27.5 | Very low | 26.3 | Very low | 169 Ų | 169 | 154 Ų | 154 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -71.7 | 150.6 | 160.2 | -52.7 | 175.6 | 111.8 | 0 | 0 | 110.2 | ||||
| 629 | R | 24.2 | Very low | 26.4 | Very low | 237 Ų | 237 | 152.7 Ų | 152.7 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | trans | -162.8 | 148 | 138.5 | -108.4 | 150 | -164.5 | -166.9 | 2.8 | 113.8 | ||||
| 630 | K | 24.6 | Very low | 26.2 | Very low | 179 Ų | 179 | 146.1 Ų | 146.1 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | trans | -96 | 161 | -169.5 | -57.1 | 171.3 | 174.9 | 177.3 | 0 | 112.3 | ||||
| 631 | T | 23.9 | Very low | 26.5 | Very low | 127 Ų | 127 | 151.7 Ų | 151.7 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | 63.4 | 154.5 | 147.5 | 45.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 632 | T | 23.5 | Very low | 26.5 | Very low | 125 Ų | 125 | 151 Ų | 151 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | cis | -172.9 | 162.5 | 4.9 | 20.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 633 | V | 25.2 | Very low | 26.6 | Very low | 121 Ų | 121 | 149.5 Ų | 149.5 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | cis | -175.7 | -163.3 | -14.1 | 64.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 634 | T | 24.6 | Very low | 26.7 | Very low | 126 Ų | 126 | 151.2 Ų | 151.2 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | 68.3 | 148.4 | 171 | 39.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 635 | S | 27.7 | Very low | 26.4 | Very low | 97 Ų | 97 | 151.9 Ų | 151.9 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | cis | -170.5 | 163.4 | -6.8 | 45.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 636 | S | 26.7 | Very low | 26.7 | Very low | 96 Ų | 96 | 150.3 Ų | 150.3 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | trans | 71.3 | 147.3 | 157.9 | 70.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 637 | W | 27.8 | Very low | 26.9 | Very low | 238 Ų | 238 | 150.6 Ų | 150.6 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | cis | -146 | 175.5 | 3.5 | -87 | -43.4 | 0 | 0 | 0 | 108.3 | ||||
| 638 | D | 27.8 | Very low | 27.2 | Very low | 128 Ų | 128 | 151.4 Ų | 151.4 | 68% | 0.684 | 78% | 0.784 | S | S | * | * | cis | -176.3 | 172.3 | -33 | -167.7 | 12.2 | 0 | 0 | 0 | 108.4 | ||||
| 639 | N | 30.5 | Very low | 28.1 | Very low | 153 Ų | 153 | 148.3 Ų | 148.3 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 77.8 | 137.7 | -174.3 | -47.1 | -75.4 | 0 | 0 | 0 | 115.6 | ||||
| 640 | G | 23.6 | Very low | 28.2 | Very low | 55 Ų | 55 | 143.4 Ų | 143.4 | 57% | 0.567 | 77% | 0.77 | S | S | * | * | cis | 156.7 | 149.1 | -6.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 641 | W | 28.5 | Very low | 28.3 | Very low | 263 Ų | 263 | 141.8 Ų | 141.8 | 100% | 0.996 | 77% | 0.77 | S | S | * | * | trans | 66.2 | 136.4 | -173.1 | -40.7 | 91.2 | 0 | 0 | 0 | 112.7 | ||||
| 642 | G | 26.6 | Very low | 28.7 | Very low | 81 Ų | 81 | 142.3 Ų | 142.3 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | cis | 122.8 | 131.6 | 19.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 643 | Q | 27.5 | Very low | 29.4 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | cis | -152.5 | -178 | 15.7 | -173.6 | 169.5 | -14.4 | 0 | 0 | 110.4 | ||||
| 644 | E | 27.6 | Very low | 29.6 | Very low | 158 Ų | 158 | 146.5 Ų | 146.5 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -71.7 | 156.2 | -176.7 | -57.1 | 134 | 121.7 | 0 | 0 | 115.5 | ||||
| 645 | E | 27.3 | Very low | 30.2 | Very low | 191 Ų | 191 | 145.8 Ų | 145.8 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | 172 | 150.4 | 110.8 | -92.5 | -174 | 171 | 0 | 0 | 112.9 | |||||
| 646 | E | 31.8 | Very low | 30.2 | Very low | 171 Ų | 171 | 150.3 Ų | 150.3 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | -128.4 | 136.9 | 161 | -156.6 | -162 | -118.1 | 0 | 0 | 107.1 | ||||
| 647 | P | 34 | Very low | 30.2 | Very low | 112 Ų | 112 | 152.3 Ų | 152.3 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | -151.6 | 171.2 | 113.2 | 39.5 | -23.3 | 0 | 0 | 0 | 115.8 | |||||
| 648 | Q | 30.8 | Very low | 30.3 | Very low | 168 Ų | 168 | 150 Ų | 150 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -81.7 | -178.2 | 161.5 | -42.9 | -178.4 | -13.1 | 0 | 0 | 110.8 | ||||
| 649 | P | 46.2 | Very low | 30.4 | Very low | 103 Ų | 103 | 149.8 Ų | 149.8 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | cis | -135.9 | -163.3 | -7.2 | 40.7 | -21.2 | 0 | 0 | 0 | 114.7 | ||||
| 650 | N | 26.2 | Very low | 30.2 | Very low | 135 Ų | 135 | 147.5 Ų | 147.5 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | 101.1 | 145 | 143.6 | -95.9 | 48.5 | 0 | 0 | 0 | 124.8 | ||||
| 651 | D | 27 | Very low | 30.5 | Very low | 144 Ų | 144 | 156.7 Ų | 156.7 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | 85.9 | 121.9 | 151.4 | -60.3 | -20.1 | 0 | 0 | 0 | 124.4 | ||||
| 652 | E | 32.3 | Very low | 30.7 | Very low | 138 Ų | 138 | 153 Ų | 153 | 65% | 0.645 | 79% | 0.79 | S | S | * | * | trans | -75.5 | 173.5 | 159.8 | -54.7 | -173.7 | 137.9 | 0 | 0 | 111.2 | R654 | E652-R654 WeakPolarHBondContact OE2-CG 3.41Å; E652-R654 IonicContact OE2-CZ 3.63Å; E652-R654 IonicContact OE2-NE 2.65Å; E652-R654 PolarHBondContact OE2-NE 2.96Å; E652-R654 VanDerWaalsContact OE2-NE 3.08Å; E652-R654 IonicContact OE2-NH2 2.69Å | ||
| 653 | P | 38.5 | Very low | 30.9 | Very low | 133 Ų | 133 | 155.4 Ų | 155.4 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | -146 | 151 | 95.4 | 35.4 | -18.5 | 0 | 0 | 0 | 117.8 | |||||
| 654 | R | 28.2 | Very low | 31 | Very low | 202 Ų | 202 | 150.1 Ų | 150.1 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | -65.2 | 172.4 | 177.8 | -50.8 | 161.5 | -175.1 | -171.7 | -7.6 | 114.3 | E652 | E652-R654 WeakPolarHBondContact OE2-CG 3.41Å; E652-R654 IonicContact OE2-CZ 3.63Å; E652-R654 IonicContact OE2-NE 2.65Å; E652-R654 PolarHBondContact OE2-NE 2.96Å; E652-R654 VanDerWaalsContact OE2-NE 3.08Å; E652-R654 IonicContact OE2-NH2 2.69Å | ||
| 655 | P | 38 | Very low | 31 | Very low | 110 Ų | 110 | 146.3 Ų | 146.3 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | -149.9 | 137.6 | 100.3 | 35.3 | -17.9 | 0 | 0 | 0 | 118.6 | |||||
| 656 | K | 27.7 | Very low | 31.2 | Very low | 193 Ų | 193 | 143.4 Ų | 143.4 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | 59.1 | 120 | 140 | -57.3 | 167.2 | -172.5 | 173.4 | 0 | 119 | ||||
| 657 | L | 26.6 | Very low | 31.2 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 72% | 0.723 | 78% | 0.782 | S | S | * | * | 77.4 | 117.3 | 50.3 | -173.3 | 81.2 | 0 | 0 | 0 | 114.7 | |||||
| 658 | H | 28.9 | Very low | 31 | Very low | 188 Ų | 188 | 148.5 Ų | 148.5 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | trans | -156.8 | 142.4 | 134.7 | -107.7 | -71.4 | 0 | 0 | 0 | 111.9 | ||||
| 659 | T | 29.6 | Very low | 31.2 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | trans | -126.9 | 153 | 179.6 | 34.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 660 | A | 27 | Very low | 30.9 | Very low | 104 Ų | 104 | 147.1 Ų | 147.1 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -148.6 | 137.9 | 164 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 661 | R | 30.4 | Very low | 31.4 | Very low | 248 Ų | 248 | 149.5 Ų | 149.5 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | trans | -161.1 | 126.3 | 179.7 | 176.5 | -168.2 | -176.4 | -160.6 | 3.5 | 108.7 | ||||
| 662 | K | 32.7 | Very low | 32.2 | Very low | 185 Ų | 185 | 150.7 Ų | 150.7 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 174.6 | 157.8 | 164.8 | -105.1 | -167.4 | 177.5 | -103.3 | 0 | 109.2 | ||||
| 663 | D | 31.2 | Very low | 32.4 | Very low | 132 Ų | 132 | 153.1 Ų | 153.1 | 71% | 0.706 | 82% | 0.816 | S | S | * | * | cis | -152.4 | 175.2 | -20.6 | -142.2 | -29.1 | 0 | 0 | 0 | 108.6 | ||||
| 664 | G | 29.2 | Very low | 32.3 | Very low | 74 Ų | 74 | 152.3 Ų | 152.3 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | -81.3 | 168.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 665 | G | 27.7 | Very low | 32.9 | Very low | 78 Ų | 78 | 149.6 Ų | 149.6 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -156.6 | 160.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 666 | T | 31.2 | Very low | 32.8 | Very low | 131 Ų | 131 | 153.1 Ų | 153.1 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -128.7 | 134.2 | -160.7 | -56.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 667 | R | 31.8 | Very low | 33.4 | Very low | 238 Ų | 238 | 150.1 Ų | 150.1 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | trans | 58.7 | 132.8 | 164.9 | -82.5 | 175.9 | 161.6 | -179.9 | -6.3 | 118.2 | ||||
| 668 | V | 30.7 | Very low | 33.9 | Very low | 152 Ų | 152 | 153 Ų | 153 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | -164.2 | 168.2 | 110.2 | 140.2 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 669 | L | 34.1 | Very low | 34.3 | Very low | 169 Ų | 169 | 154 Ų | 154 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | trans | -116.1 | 128.6 | -171.5 | -173.2 | 81.4 | 0 | 0 | 0 | 110.8 | ||||
| 670 | G | 40.7 | Very low | 34.5 | Very low | 72 Ų | 72 | 157 Ų | 157 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | trans | 85.9 | 99.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 671 | E | 36.7 | Very low | 35 | Very low | 186 Ų | 186 | 161 Ų | 161 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | trans | -132.7 | 153.1 | 151.1 | -74.5 | -169.5 | 146.4 | 0 | 0 | 109 | ||||
| 672 | E | 43.1 | Very low | 35.3 | Very low | 169 Ų | 169 | 156 Ų | 156 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -89.2 | 130.3 | -171.9 | -176.3 | -174.4 | 140.6 | 0 | 0 | 111.4 | ||||
| 673 | F | 36.1 | Very low | 35.6 | Very low | 188 Ų | 188 | 158.6 Ų | 158.6 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -102.6 | 94.5 | 173.5 | -73 | -81.2 | 0 | 0 | 0 | 110.8 | I675 | F673-I675 PolarHBondContact O-N 2.78Š| ||
| 674 | T | 36.4 | Very low | 36 | Very low | 117 Ų | 117 | 159.8 Ų | 159.8 | 72% | 0.718 | 82% | 0.817 | S | S | * | * | trans | -64.3 | 121.5 | 171.9 | -43.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 675 | I | 41.6 | Very low | 36.9 | Very low | 145 Ų | 145 | 162 Ų | 162 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | trans | -92.1 | 106.4 | -180 | -58.2 | 177.2 | 0 | 0 | 0 | 109.6 | F673 V677 | F673-I675 PolarHBondContact O-N 2.78Å; I675-V677 PolarHBondContact O-N 3.49Å | ||
| 676 | E | 36.5 | Very low | 37.9 | Very low | 184 Ų | 184 | 166.6 Ų | 166.6 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -72.4 | 107.3 | 170 | -69.6 | -166.8 | 157.1 | 0 | 0 | 111.1 | K678 | E676-K678 PolarHBondContact O-N 3.45Š| ||
| 677 | V | 39 | Very low | 38.7 | Very low | 129 Ų | 129 | 168.2 Ų | 168.2 | 78% | 0.782 | 82% | 0.822 | S | S | * | * | trans | -77 | 109 | 175.2 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | I675 R679 | I675-V677 PolarHBondContact O-N 3.49Å; V677-R679 PolarHBondContact O-N 3.43Å | ||
| 678 | K | 36.5 | Very low | 39.7 | Very low | 199 Ų | 199 | 163.1 Ų | 163.1 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 117.6 | 170.2 | -75.9 | -173 | 175.3 | -179.1 | 0 | 110.2 | E676 K680 | E676-K678 PolarHBondContact O-N 3.45Å; K678-K680 PolarHBondContact O-N 3.48Å |
| 679 | R | 37.7 | Very low | 40.5 | Very low | 209 Ų | 209 | 164.9 Ų | 164.9 | 79% | 0.789 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 124.6 | 176.5 | -177.6 | 173.8 | 175.5 | 171.4 | -3.3 | 110.2 | V677 E682 | V677-R679 PolarHBondContact O-N 3.43Å; R679-E682 IonicContact CZ-OE1 3.91Å; R679-E682 IonicContact NE-OE1 3.27Å; R679-E682 IonicContact NH2-OE1 2.75Å; R679-E682 PolarHBondContact NH2-OE1 3.11Å |
| 680 | K | 35.2 | Very low | 41 | Very low | 189 Ų | 189 | 165.3 Ų | 165.3 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 143 | 177 | -162.9 | 176.2 | -177 | -177.7 | 0 | 109.4 | K678 | K678-K680 PolarHBondContact O-N 3.48Š|
| 681 | Q | 35.7 | Very low | 41.3 | Very low | 186 Ų | 186 | 165 Ų | 165 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 134.9 | 177.8 | -165.8 | 168.1 | -0.7 | 0 | 0 | 110 | ||
| 682 | E | 37 | Very low | 41.8 | Very low | 145 Ų | 145 | 163.9 Ų | 163.9 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67 | 150.2 | 177.8 | -77.5 | 143 | -155.1 | 0 | 0 | 110.7 | R679 | R679-E682 IonicContact CZ-OE1 3.91Å; R679-E682 IonicContact NE-OE1 3.27Å; R679-E682 IonicContact NH2-OE1 2.75Å; R679-E682 PolarHBondContact NH2-OE1 3.11Å |
| 683 | R | 39.5 | Very low | 41.7 | Very low | 239 Ų | 239 | 163.7 Ų | 163.7 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 149.2 | 173.7 | -80.7 | -177.7 | 166.9 | -178 | -7.2 | 109.1 | ||
| 684 | D | 39.2 | Very low | 42.4 | Very low | 156 Ų | 156 | 163.6 Ų | 163.6 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 142.9 | 172.1 | -94.6 | -49.5 | 0 | 0 | 0 | 111.7 | ||
| 685 | P | 47.9 | Very low | 42.5 | Very low | 121 Ų | 121 | 163 Ų | 163 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -97.1 | 10.8 | -172.8 | 39.3 | -37.5 | 0 | 0 | 0 | 114.6 | ||||
| 686 | E | 49.8 | Very low | 42.2 | Very low | 174 Ų | 174 | 162.5 Ų | 162.5 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -107.3 | 141.7 | -178.2 | -64.4 | -169.5 | 170.3 | 0 | 0 | 112.2 | ||||
| 687 | L | 46.7 | Very low | 42.6 | Very low | 166 Ų | 166 | 160 Ų | 160 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | 81.7 | 65.1 | -176.9 | -53.3 | 173.7 | 0 | 0 | 0 | 117.4 | ||||
| 688 | D | 52.8 | Low | 42.3 | Very low | 131 Ų | 131 | 161.8 Ų | 161.8 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -135.9 | 67.2 | 150.9 | -159.2 | -10.8 | 0 | 0 | 0 | 111.3 | F690 | D688-F690 VanDerWaalsContact C-N 3.29Å; D688-F690 PolarHBondContact O-N 3.24Å | ||
| 689 | F | 47.9 | Very low | 42.2 | Very low | 188 Ų | 188 | 160.2 Ų | 160.2 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 17.4 | -174.3 | -101.3 | -79.8 | 0 | 0 | 0 | 114.4 | ||
| 690 | F | 45.5 | Very low | 42 | Very low | 179 Ų | 179 | 155.6 Ų | 155.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.2 | 2.6 | -175.3 | -77.9 | -82.8 | 0 | 0 | 0 | 114.7 | D688 | D688-F690 VanDerWaalsContact C-N 3.29Å; D688-F690 PolarHBondContact O-N 3.24Å |
| 691 | A | 46.3 | Very low | 42.1 | Very low | 66 Ų | 66 | 152.1 Ų | 152.1 | 55% | 0.545 | 78% | 0.782 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.8 | -30.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | M693 | A691-M693 PolarHBondContact O-N 3.08Š|
| 692 | D | 48.3 | Very low | 42 | Very low | 161 Ų | 161 | 148.1 Ų | 148.1 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 18.7 | -166 | -64.5 | -23.2 | 0 | 0 | 0 | 115 | E694 | D692-E694 PolarHBondContact O-N 3.25Š|
| 693 | M | 40.3 | Very low | 41.8 | Very low | 166 Ų | 166 | 148.3 Ų | 148.3 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -97.3 | 70.3 | -179.3 | -77.3 | -74.5 | -70.4 | 0 | 0 | 112.5 | A691 | A691-M693 PolarHBondContact O-N 3.08Š| ||
| 694 | E | 49.9 | Very low | 41.5 | Very low | 186 Ų | 186 | 140.9 Ų | 140.9 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -76.5 | 132.4 | 169.7 | -67 | -166.1 | 145.7 | 0 | 0 | 111.8 | D692 | D692-E694 PolarHBondContact O-N 3.25Š| ||
| 695 | P | 40 | Very low | 41.2 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | trans | -82.4 | 126.8 | 175.6 | 31.3 | -32.8 | 0 | 0 | 0 | 112.4 | I697 | P695-I697 PolarHBondContact O-N 2.76Š| ||
| 696 | D | 34.5 | Very low | 40.6 | Very low | 134 Ų | 134 | 144 Ų | 144 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | trans | -74.1 | 77.1 | -176.7 | -169.3 | 30 | 0 | 0 | 0 | 112.9 | K698 | D696-K698 PolarHBondContact O-N 3.14Å; D696-K698 VanDerWaalsContact OD2-CE 3.24Å; D696-K698 WeakPolarHBondContact OD2-CE 3.35Å; D696-K698 IonicContact OD2-NZ 3.48Å; D696-K698 PolarHBondContact OD2-NZ 2.99Å | ||
| 697 | I | 44.4 | Very low | 39.7 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 68% | 0.677 | 79% | 0.789 | S | S | * | * | trans | -79.9 | 99.7 | -177.4 | -59 | 174.2 | 0 | 0 | 0 | 111.3 | P695 L699 | P695-I697 PolarHBondContact O-N 2.76Å; I697-L699 PolarHBondContact O-N 3.22Å | ||
| 698 | K | 33.3 | Very low | 39 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 73% | 0.726 | 79% | 0.786 | S | S | * | * | trans | -76.7 | 89.4 | 175.7 | -70.1 | 174.2 | -176.5 | 162.5 | 0 | 112.2 | D696 S700 | D696-K698 PolarHBondContact O-N 3.14Å; D696-K698 VanDerWaalsContact OD2-CE 3.24Å; D696-K698 WeakPolarHBondContact OD2-CE 3.35Å; D696-K698 IonicContact OD2-NZ 3.48Å; D696-K698 PolarHBondContact OD2-NZ 2.99Å; K698-S700 PolarHBondContact O-N 2.92Å | ||
| 699 | L | 34.6 | Very low | 37.8 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -60.3 | 116.1 | 173 | -71.9 | 171.4 | 0 | 0 | 0 | 111.6 | I697 | I697-L699 PolarHBondContact O-N 3.22Š| ||
| 700 | S | 33.7 | Very low | 36.8 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -95.4 | 114.7 | 175.2 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | K698 | K698-S700 PolarHBondContact O-N 2.92Š| ||
| 701 | S | 37.2 | Very low | 36 | Very low | 117 Ų | 117 | 139 Ų | 139 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 53 | 95.5 | 157.2 | -61.3 | 0 | 0 | 0 | 0 | 120 | ||
| 702 | A | 33.7 | Very low | 35 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | 50.4 | 95.4 | 131.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 703 | V | 33.1 | Very low | 34 | Very low | 148 Ų | 148 | 142.8 Ų | 142.8 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 118.9 | 152.5 | 177.8 | 0 | 0 | 0 | 0 | 108.8 | ||
| 704 | A | 33.2 | Very low | 33.5 | Very low | 83 Ų | 83 | 140.2 Ų | 140.2 | 69% | 0.686 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 137.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 705 | L | 33 | Very low | 32.5 | Very low | 176 Ų | 176 | 138.5 Ų | 138.5 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 136.5 | 174.2 | -64.8 | 166.9 | 0 | 0 | 0 | 111 | ||
| 706 | L | 33.6 | Very low | 31.9 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -128 | 116.9 | 173 | -74.6 | 175.9 | 0 | 0 | 0 | 112 | ||||
| 707 | L | 31.2 | Very low | 31.6 | Very low | 156 Ų | 156 | 137 Ų | 137 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | trans | -96.5 | 158.2 | 163.5 | -81.9 | 171.2 | 0 | 0 | 0 | 109.9 | V709 | L707-V709 PolarHBondContact O-N 2.95Š| ||
| 708 | P | 33.3 | Very low | 30.8 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | trans | -76.5 | 128.7 | -161.6 | 28.7 | -35.7 | 0 | 0 | 0 | 113.9 | ||||
| 709 | V | 27.1 | Very low | 30.6 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 84% | 0.842 | 83% | 0.831 | S | S | * | * | trans | -105.8 | 135.2 | 171.1 | 175.9 | 0 | 0 | 0 | 0 | 109.9 | L707 | L707-V709 PolarHBondContact O-N 2.95Š| ||
| 710 | K | 26.5 | Very low | 30.3 | Very low | 200 Ų | 200 | 136.9 Ų | 136.9 | 87% | 0.87 | 83% | 0.827 | S | S | * | * | trans | -82.9 | 137.5 | 174 | -58.6 | 170.4 | -177.4 | 173.5 | 0 | 109.9 | ||||
| 711 | S | 28.8 | Very low | 30 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | trans | -119.1 | 116.3 | 167.4 | 44.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 712 | N | 24.7 | Very low | 29.6 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | trans | -79.2 | 153.3 | 163.9 | -81.1 | -5.6 | 0 | 0 | 0 | 109.5 | ||||
| 713 | V | 28.6 | Very low | 30.2 | Very low | 144 Ų | 144 | 135.5 Ų | 135.5 | 87% | 0.873 | 82% | 0.82 | S | S | * | * | trans | -102.7 | 128.5 | 177.7 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 714 | S | 29.2 | Very low | 29.9 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | trans | 174.3 | 147.8 | 153.3 | 54.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 715 | D | 28.7 | Very low | 29.7 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | cis | -170.1 | -171.9 | -27.2 | -160.1 | -9.1 | 0 | 0 | 0 | 106.9 | ||||
| 716 | T | 28.5 | Very low | 29.4 | Very low | 138 Ų | 138 | 138 Ų | 138 | 85% | 0.847 | 82% | 0.816 | S | S | * | * | trans | 95.4 | 135 | 176.5 | 71.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 717 | G | 26.9 | Very low | 29.1 | Very low | 70 Ų | 70 | 136.9 Ų | 136.9 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | cis | -164.5 | 162.9 | -1.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 718 | L | 28.6 | Very low | 29 | Very low | 154 Ų | 154 | 138 Ų | 138 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | trans | -56.7 | 154.1 | -169.8 | -75.4 | 64.9 | 0 | 0 | 0 | 116.5 | ||||
| 719 | L | 29.4 | Very low | 29 | Very low | 178 Ų | 178 | 138.3 Ų | 138.3 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | -140.5 | 156.8 | 120.7 | -81.9 | -170.3 | 0 | 0 | 0 | 111.8 | |||||
| 720 | T | 28.4 | Very low | 29 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -93.6 | 173 | -177.7 | 52.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 721 | A | 26.8 | Very low | 29.3 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | cis | -156.5 | -173.9 | 23.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 722 | A | 28.5 | Very low | 29.2 | Very low | 90 Ų | 90 | 136.1 Ų | 136.1 | 74% | 0.744 | 82% | 0.817 | S | S | * | * | trans | -112.7 | -170.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 723 | P | 45.4 | Very low | 29.5 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | cis | -137.7 | 174.6 | -3.5 | 43.5 | -27.4 | 0 | 0 | 0 | 115.9 | ||||
| 724 | S | 28.5 | Very low | 29.5 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | 169.1 | 168.4 | 124.4 | 65.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 725 | E | 27.4 | Very low | 29.7 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -72.3 | 161 | -158.7 | -72.1 | 164.6 | 178.9 | 0 | 0 | 121 | ||||
| 726 | H | 27.1 | Very low | 29.6 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | 51.3 | 116.6 | 145.9 | -65.9 | -56.3 | 0 | 0 | 0 | 122.3 | ||||
| 727 | T | 27.2 | Very low | 29.8 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | -176.7 | 163.4 | 115.6 | -72 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 728 | E | 30.6 | Very low | 30.2 | Very low | 180 Ų | 180 | 136.3 Ų | 136.3 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | trans | -68.5 | 154 | -178.5 | -56 | -178.2 | 168.1 | 0 | 0 | 114.7 | ||||
| 729 | P | 32.5 | Very low | 30.4 | Very low | 131 Ų | 131 | 138 Ų | 138 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -96.8 | 105.9 | 167.1 | 34.7 | -28.1 | 0 | 0 | 0 | 112.3 | ||||
| 730 | S | 27.1 | Very low | 30.6 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -78.1 | 154.2 | 156.7 | 57.4 | 0 | 0 | 0 | 0 | 110.8 | D732 | S730-D732 PolarHBondContact O-N 3.12Š| ||
| 731 | V | 33.1 | Very low | 30.7 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | trans | -51.9 | 131.9 | 178.1 | 177.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 732 | D | 25.4 | Very low | 30.9 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -153.6 | 163.9 | 136.4 | -139 | -26.5 | 0 | 0 | 0 | 112.9 | S730 | S730-D732 PolarHBondContact O-N 3.12Š| ||
| 733 | T | 31.9 | Very low | 31 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 68% | 0.675 | 82% | 0.822 | S | S | * | * | trans | -121.4 | 116.9 | -164.2 | -56 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 734 | L | 28.6 | Very low | 30.3 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | -139.6 | 102.8 | 168.2 | -79 | -179 | 0 | 0 | 0 | 114.4 | ||||
| 735 | T | 32.8 | Very low | 30.4 | Very low | 118 Ų | 118 | 145 Ų | 145 | 72% | 0.724 | 83% | 0.828 | S | S | * | * | trans | 13.3 | 128.7 | 136.1 | 57.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 736 | L | 27.4 | Very low | 30.5 | Very low | 173 Ų | 173 | 142.8 Ų | 142.8 | 91% | 0.906 | 83% | 0.827 | S | S | * | * | trans | -122 | 158.8 | 151.2 | -78.6 | 177.2 | 0 | 0 | 0 | 110.4 | ||||
| 737 | P | 33 | Very low | 31 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | trans | -98.6 | 146.1 | -137.3 | 35.1 | -37 | 0 | 0 | 0 | 116.3 | K739 | P737-K739 PolarHBondContact O-N 3.49Š| ||
| 738 | A | 33.9 | Very low | 31 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 87% | 0.868 | 83% | 0.832 | S | S | * | * | trans | -76 | 119.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 739 | K | 34.2 | Very low | 31.1 | Very low | 188 Ų | 188 | 144.6 Ų | 144.6 | 82% | 0.817 | 84% | 0.836 | S | S | * | * | trans | -145.7 | 91.9 | 160.1 | -87.1 | -166.3 | 175.4 | -176.5 | 0 | 109.5 | P737 | P737-K739 PolarHBondContact O-N 3.49Š| ||
| 740 | F | 33 | Very low | 30.9 | Very low | 224 Ų | 224 | 142.7 Ų | 142.7 | 98% | 0.982 | 83% | 0.831 | S | S | * | * | trans | 177.6 | 84.1 | 143.8 | -88.5 | -56.3 | 0 | 0 | 0 | 107.2 | ||||
| 741 | A | 30.8 | Very low | 31 | Very low | 106 Ų | 106 | 145.9 Ų | 145.9 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | trans | -123.8 | 136.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 742 | A | 30.2 | Very low | 30.8 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | trans | -133.3 | 138.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 743 | A | 29.9 | Very low | 31.2 | Very low | 92 Ų | 92 | 147.4 Ų | 147.4 | 76% | 0.76 | 84% | 0.835 | S | S | * | * | trans | -50.7 | 143.9 | -162 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 744 | D | 31.1 | Very low | 31 | Very low | 160 Ų | 160 | 151.5 Ų | 151.5 | 86% | 0.856 | 85% | 0.846 | S | S | * | * | trans | -60.5 | 151.3 | 151.7 | -62.1 | -67.4 | 0 | 0 | 0 | 111 | ||||
| 745 | Q | 30.5 | Very low | 31.3 | Very low | 192 Ų | 192 | 153.2 Ų | 153.2 | 90% | 0.897 | 85% | 0.85 | S | S | * | * | trans | -133 | 141.6 | 160 | -68.9 | -170.2 | 5.3 | 0 | 0 | 109.3 | ||||
| 746 | T | 30.4 | Very low | 31.1 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 76% | 0.761 | 85% | 0.848 | S | S | * | * | trans | -101 | 133.6 | -172.4 | 48.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 747 | E | 37.7 | Very low | 31.2 | Very low | 181 Ų | 181 | 150.6 Ų | 150.6 | 85% | 0.846 | 85% | 0.848 | S | S | * | * | trans | 49.6 | 125.2 | 140.7 | -61.2 | 176.7 | 165.8 | 0 | 0 | 120.8 | ||||
| 748 | T | 27.4 | Very low | 31.4 | Very low | 149 Ų | 149 | 152.9 Ų | 152.9 | 91% | 0.914 | 85% | 0.854 | S | S | * | * | trans | -138 | 131.6 | 139.1 | 38.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 749 | E | 32.1 | Very low | 31.4 | Very low | 197 Ų | 197 | 155.2 Ų | 155.2 | 92% | 0.921 | 85% | 0.851 | S | S | * | * | trans | -96.9 | 139.8 | 168 | -63.9 | -175.2 | 125.8 | 0 | 0 | 110.6 | ||||
| 750 | A | 29.2 | Very low | 31.3 | Very low | 91 Ų | 91 | 153.3 Ų | 153.3 | 75% | 0.752 | 85% | 0.85 | S | S | * | * | trans | 179 | 148.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 751 | E | 28.6 | Very low | 31.5 | Very low | 182 Ų | 182 | 153.9 Ų | 153.9 | 85% | 0.85 | 85% | 0.846 | S | S | * | * | cis | -150.3 | 157.8 | -8.1 | -135.8 | 169.9 | 177.7 | 0 | 0 | 108.2 | ||||
| 752 | G | 27.8 | Very low | 31.5 | Very low | 69 Ų | 69 | 151.3 Ų | 151.3 | 71% | 0.711 | 83% | 0.83 | S | S | * | * | trans | -82.2 | 157.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 753 | W | 35.4 | Very low | 31.8 | Very low | 254 Ų | 254 | 155.7 Ų | 155.7 | 96% | 0.962 | 83% | 0.832 | S | S | * | * | trans | -120.3 | 140 | 163.1 | -76.9 | 82.3 | 0 | 0 | 0 | 109.4 | ||||
| 754 | E | 28.1 | Very low | 32 | Very low | 195 Ų | 195 | 159.3 Ų | 159.3 | 91% | 0.911 | 84% | 0.839 | S | S | * | * | trans | -84.7 | -176.4 | -167.3 | -66 | -174.6 | 125.1 | 0 | 0 | 114.3 | ||||
| 755 | E | 33.5 | Very low | 32.3 | Very low | 199 Ų | 199 | 160.1 Ų | 160.1 | 93% | 0.93 | 84% | 0.838 | S | S | * | * | trans | -58.2 | 152.7 | -173.1 | -52.4 | 173.5 | 127.4 | 0 | 0 | 115 | ||||
| 756 | G | 29 | Very low | 32.5 | Very low | 67 Ų | 67 | 158.3 Ų | 158.3 | 69% | 0.691 | 83% | 0.834 | S | S | * | * | trans | 156.4 | 69.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 757 | D | 29.9 | Very low | 33.6 | Very low | 170 Ų | 170 | 157 Ų | 157 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | 162.3 | 132.5 | 122.3 | -88.4 | -10.9 | 0 | 0 | 0 | 113.3 | |||||
| 758 | D | 37 | Very low | 33.4 | Very low | 160 Ų | 160 | 163.7 Ų | 163.7 | 86% | 0.856 | 85% | 0.846 | S | S | * | * | trans | -79.3 | 128.8 | 176.1 | -75.7 | -60 | 0 | 0 | 0 | 112.4 | ||||
| 759 | L | 34.3 | Very low | 33.7 | Very low | 154 Ų | 154 | 164.5 Ų | 164.5 | 81% | 0.806 | 84% | 0.842 | S | S | * | * | trans | -130.2 | 83.3 | 161.3 | -76.3 | 179.6 | 0 | 0 | 0 | 111.9 | W761 | L759-W761 PolarHBondContact O-N 3.41Š| ||
| 760 | N | 30.9 | Very low | 33.8 | Very low | 148 Ų | 148 | 162.7 Ų | 162.7 | 79% | 0.791 | 84% | 0.838 | S | S | * | * | trans | -63.7 | 113.8 | 169.7 | 171.8 | 46.3 | 0 | 0 | 0 | 111.8 | G762 | N760-G762 PolarHBondContact O-N 3.35Š| ||
| 761 | W | 36.9 | Very low | 34 | Very low | 236 Ų | 236 | 166.7 Ų | 166.7 | 89% | 0.894 | 84% | 0.843 | S | S | * | * | trans | -91.3 | 89.6 | 166.9 | -75 | 101 | 0 | 0 | 0 | 110.2 | L759 | L759-W761 PolarHBondContact O-N 3.41Š| ||
| 762 | G | 31.1 | Very low | 34.4 | Very low | 52 Ų | 52 | 165.8 Ų | 165.8 | 54% | 0.536 | 84% | 0.842 | S | S | . | * | trans | -67.3 | 149.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N760 | N760-G762 PolarHBondContact O-N 3.35Š| ||
| 763 | E | 36.2 | Very low | 34.8 | Very low | 197 Ų | 197 | 171.9 Ų | 171.9 | 92% | 0.921 | 85% | 0.85 | S | S | * | * | trans | -71.3 | 137.5 | 163.2 | -58.4 | 173.6 | 128.7 | 0 | 0 | 109.1 | ||||
| 764 | D | 35.6 | Very low | 34.7 | Very low | 169 Ų | 169 | 166.4 Ų | 166.4 | 90% | 0.904 | 84% | 0.843 | S | S | * | * | trans | -137.7 | 127.2 | 169.1 | -117.5 | -32.8 | 0 | 0 | 0 | 109.9 | ||||
| 765 | E | 36.8 | Very low | 35.2 | Very low | 177 Ų | 177 | 164.4 Ų | 164.4 | 83% | 0.827 | 84% | 0.838 | S | S | * | * | trans | -97.7 | 112.4 | -172.4 | -66.2 | -171.5 | 112.3 | 0 | 0 | 112.7 | ||||
| 766 | N | 34.7 | Very low | 35.3 | Very low | 154 Ų | 154 | 161.7 Ų | 161.7 | 82% | 0.824 | 83% | 0.831 | S | S | * | * | trans | 59.8 | -177 | 153.6 | -91.6 | -36.6 | 0 | 0 | 0 | 116.8 | ||||
| 767 | P | 54.1 | Low | 35.9 | Very low | 97 Ų | 97 | 169.6 Ų | 169.6 | 63% | 0.63 | 84% | 0.843 | S | S | * | * | cis | -116.9 | 177.4 | -46.8 | 36.6 | -25.8 | 0 | 0 | 0 | 110.3 | ||||
| 768 | W | 32.8 | Very low | 36.4 | Very low | 321 Ų | 321 | 169.5 Ų | 169.5 | 100% | 1.216 | 84% | 0.837 | S | S | * | * | trans | 177.5 | 0 | 132.5 | -96.6 | 107.2 | 0 | 0 | 0 | 110.7 |
Retrieved 768 of 768 residues in 149.3 ms
(Link to these results)