| 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 | 85.5 | Confident | 87.3 | Confident | 68 Ų | 68 | 94.5 Ų | 94.5 | 34% | 0.335 | 45% | 0.45 | S | S | . | . | 0 | -61.4 | 0 | -160.9 | -177.6 | -56.6 | 0 | 0 | 112.8 | K3 K4 L5 I12 I84 I313 | M1-K3 PolarHBondContact O-N 3.12Å; M1-K4 PolarHBondContact O-N 2.96Å; M1-L5 HydrophobicContact CG-CD1 3.66Å; M1-L5 HydrophobicContact CG-CG 4.42Å; M1-L5 PolarHBondContact O-N 2.72Å; M1-L5 HydrophobicContact SD-CD1 4.28Å; M1-I12 HydrophobicContact CB-CD1 4.05Å; M1-I12 HydrophobicContact CG-CD1 3.77Å; M1-I12 HydrophobicContact SD-CD1 3.93Å; M1-I12 HydrophobicContact SD-CG1 4.07Å; M1-I84 HydrophobicContact CE-CD1 3.33Å; M1-I84 HydrophobicContact CE-CG1 4.24Å; M1-I313 HydrophobicContact CE-CD1 3.66Å; M1-I313 HydrophobicContact CE-CG2 4.42Å; M1-I313 HydrophobicContact SD-CG2 4.44Å | |||
| 2 | A | 87.4 | Confident | 88 | Confident | 12 Ų | 12 | 89 Ų | 89 | 10% | 0.099 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -41.6 | -44.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | K6 I12 Q51 N53 V54 | A2-K6 PolarHBondContact O-N 3.29Å; A2-I12 HydrophobicContact CB-CD1 4.17Å; A2-Q51 HydrophobicContact CB-CG 4.36Å; A2-N53 PolarHBondContact O-ND2 3.5Å; A2-V54 HydrophobicContact CB-CG2 3.54Å |
| 3 | K | 85.6 | Confident | 88.7 | Confident | 106 Ų | 106 | 87 Ų | 87 | 46% | 0.461 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -39.4 | 178.1 | -63.9 | 172.3 | -177.2 | 162.7 | 0 | 114.1 | M1 T370 I371 | M1-K3 PolarHBondContact O-N 3.12Å; K3-T370 PolarHBondContact NZ-O 3.29Å; K3-I371 PolarHBondContact NZ-O 3.01Å |
| 4 | K | 86.1 | Confident | 89.2 | Confident | 94 Ų | 94 | 85.1 Ų | 85.1 | 41% | 0.409 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -26.8 | -174.9 | -70.1 | -174.3 | 177.3 | -178.7 | 0 | 112.3 | M1 V314 | M1-K4 PolarHBondContact O-N 2.96Å; K4-V314 HydrophobicContact CB-CG2 4.05Å; K4-V314 HydrophobicContact CD-CG2 4.13Å |
| 5 | L | 88.6 | Confident | 89.7 | Confident | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 18.6 | -176 | -61.9 | 177.9 | 0 | 0 | 0 | 113.5 | M1 K7 D8 V10 N53 V314 I317 | M1-L5 HydrophobicContact CG-CD1 3.66Å; M1-L5 HydrophobicContact CG-CG 4.42Å; M1-L5 PolarHBondContact O-N 2.72Å; M1-L5 HydrophobicContact SD-CD1 4.28Å; L5-K7 PolarHBondContact O-N 2.97Å; L5-D8 WeakPolarHBondContact CA-OD2 3.25Å; L5-D8 HydrophobicContact CB-CB 4.4Å; L5-D8 HydrophobicContact CD2-CB 4.19Å; L5-D8 PolarHBondContact O-N 2.82Å; L5-V10 HydrophobicContact CB-CB 4.44Å; L5-V10 HydrophobicContact CD1-CB 4.4Å; L5-V10 HydrophobicContact CD1-CG1 4Å; L5-V10 HydrophobicContact CD1-CG2 4.28Å; L5-N53 PolarHBondContact O-ND2 2.92Å; L5-V314 HydrophobicContact CD1-CG2 4.27Å; L5-V314 HydrophobicContact CD2-CG2 3.94Å; L5-V314 HydrophobicContact CG-CG2 4.01Å; L5-I317 HydrophobicContact CD1-CD1 3.81Å; L5-I317 HydrophobicContact CD2-CD1 4.31Å |
| 6 | K | 83.2 | Confident | 90.1 | Very high | 141 Ų | 141 | 80.4 Ų | 80.4 | 61% | 0.613 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -26 | -175 | -175.8 | 176.4 | 177.5 | -176.5 | 0 | 113.9 | A2 | A2-K6 PolarHBondContact O-N 3.29Š|
| 7 | K | 83.7 | Confident | 90.3 | Very high | 208 Ų | 208 | 82.5 Ų | 82.5 | 90% | 0.904 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -5.2 | -178.8 | -64.4 | -175.2 | 178.3 | -176.6 | 0 | 112.7 | L5 | L5-K7 PolarHBondContact O-N 2.97Š|
| 8 | D | 86.2 | Confident | 90.5 | Very high | 54 Ų | 54 | 80.6 Ų | 80.6 | 29% | 0.289 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -94.6 | 150 | -177.9 | -57.1 | -79.5 | 0 | 0 | 0 | 108 | L5 V10 K318 | L5-D8 WeakPolarHBondContact CA-OD2 3.25Å; L5-D8 HydrophobicContact CB-CB 4.4Å; L5-D8 HydrophobicContact CD2-CB 4.19Å; L5-D8 PolarHBondContact O-N 2.82Å; D8-V10 HydrophobicContact CB-CG2 4.03Å; D8-V10 PolarHBondContact O-N 3.4Å; D8-K318 IonicContact OD2-NZ 3.28Å; D8-K318 PolarHBondContact OD2-NZ 3.27Å |
| 9 | D | 89.3 | Confident | 90.7 | Very high | 178 Ų | 178 | 79.6 Ų | 79.6 | 95% | 0.952 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -77.4 | 74.4 | 178.1 | -169.3 | 23.6 | 0 | 0 | 0 | 110 | ||
| 10 | V | 91.7 | Very high | 90.9 | Very high | 37 Ų | 37 | 77.7 Ų | 77.7 | 22% | 0.224 | 38% | 0.377 | C | S | . | . | trans | -134.5 | 127.4 | -174.6 | 179.4 | 0 | 0 | 0 | 0 | 109.6 | L5 D8 I12 N53 I317 | L5-V10 HydrophobicContact CB-CB 4.44Å; L5-V10 HydrophobicContact CD1-CB 4.4Å; L5-V10 HydrophobicContact CD1-CG1 4Å; L5-V10 HydrophobicContact CD1-CG2 4.28Å; D8-V10 HydrophobicContact CB-CG2 4.03Å; D8-V10 PolarHBondContact O-N 3.4Å; V10-I12 HydrophobicContact CG1-CG1 4.18Å; V10-N53 WeakPolarHBondContact O-CB 3.28Å; V10-I317 HydrophobicContact CG2-CD1 4.29Å | ||
| 11 | E | 93.7 | Very high | 91 | Very high | 142 Ų | 142 | 77.1 Ų | 77.1 | 66% | 0.664 | 37% | 0.374 | S | S | * | . | trans | -97 | 132.7 | 167.6 | -173.2 | 175.1 | -175.2 | 0 | 0 | 110.3 | S55 | E11-S55 PolarHBondContact OE1-OG 2.88Š| ||
| 12 | I | 95.5 | Very high | 91.4 | Very high | 28 Ų | 28 | 74.8 Ų | 74.8 | 14% | 0.144 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 112.7 | 178.1 | -57.5 | 170.4 | 0 | 0 | 0 | 108.4 | M1 A2 V10 N53 V54 S55 | M1-I12 HydrophobicContact CB-CD1 4.05Å; M1-I12 HydrophobicContact CG-CD1 3.77Å; M1-I12 HydrophobicContact SD-CD1 3.93Å; M1-I12 HydrophobicContact SD-CG1 4.07Å; A2-I12 HydrophobicContact CB-CD1 4.17Å; V10-I12 HydrophobicContact CG1-CG1 4.18Å; I12-N53 WeakPolarHBondContact CB-O 3.16Å; I12-N53 PolarHBondContact N-O 3.23Å; I12-V54 HydrophobicContact CB-CG2 4.32Å; I12-V54 HydrophobicContact CD1-CG2 4.5Å; I12-V54 CarbonylContact O-C 3.6Å; I12-V54 VanDerWaalsContact O-CA 3.29Å; I12-V54 WeakPolarHBondContact O-CA 3.29Å; I12-S55 PolarHBondContact O-N 3.45Å |
| 13 | T | 96.4 | Very high | 91.6 | Very high | 63 Ų | 63 | 75 Ų | 75 | 39% | 0.387 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 114.6 | 173.5 | -55.8 | 0 | 0 | 0 | 0 | 110 | I15 S55 V57 Y78 | T13-I15 HydrophobicContact CG2-CG1 4.01Å; T13-S55 CarbonylContact C-O 3.57Å; T13-S55 WeakPolarHBondContact CA-O 3.46Å; T13-V57 HydrophobicContact CG2-CB 4.48Å; T13-V57 HydrophobicContact CG2-CG2 3.67Å; T13-Y78 HydrophobicContact CG2-CD1 4.37Å |
| 14 | L | 96.3 | Very high | 91.9 | Very high | 60 Ų | 60 | 74.9 Ų | 74.9 | 31% | 0.314 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 114.9 | 171.8 | 176.3 | 63.2 | 0 | 0 | 0 | 108.9 | L44 F48 S55 L56 V57 | L14-L44 HydrophobicContact CD2-CD1 4.46Å; L14-L44 HydrophobicContact CD2-CD2 4.2Å; L14-F48 HydrophobicContact CD2-CD2 4.44Å; L14-F48 HydrophobicContact CD2-CE2 3.72Å; L14-F48 HydrophobicContact CD2-CZ 4.22Å; L14-S55 PolarHBondContact N-O 3.25Å; L14-L56 HydrophobicContact CB-CD2 3.97Å; L14-L56 HydrophobicContact CD2-CD2 3.87Å; L14-L56 HydrophobicContact CG-CD2 4.33Å; L14-V57 PolarHBondContact O-N 3.31Å |
| 15 | I | 97.1 | Very high | 92.1 | Very high | 39 Ų | 39 | 72.5 Ų | 72.5 | 20% | 0.2 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 121.5 | 176.9 | -51.3 | 175.3 | 0 | 0 | 0 | 108.2 | T13 V57 D59 V61 V71 T73 Y78 | T13-I15 HydrophobicContact CG2-CG1 4.01Å; I15-V57 WeakPolarHBondContact CA-O 3.45Å; I15-V57 HydrophobicContact CG1-CB 4.1Å; I15-V57 HydrophobicContact CG1-CG1 4.38Å; I15-V57 HydrophobicContact CG2-CG1 4.24Å; I15-D59 HydrophobicContact CG2-CB 4.29Å; I15-V61 HydrophobicContact CG2-CG2 4.01Å; I15-V71 HydrophobicContact CD1-CG1 4.16Å; I15-T73 HydrophobicContact CD1-CG2 4.17Å; I15-T73 HydrophobicContact CG2-CG2 4.07Å; I15-Y78 HydrophobicContact CD1-CD2 3.67Å; I15-Y78 HydrophobicContact CD1-CE2 4.26Å; I15-Y78 HydrophobicContact CD1-CG 3.9Å |
| 16 | D | 95.6 | Very high | 92.3 | Very high | 56 Ų | 56 | 72.6 Ų | 72.6 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 150.3 | 175.7 | -162.9 | -61.4 | 0 | 0 | 0 | 109.8 | H18 L44 V57 T58 D59 | D16-H18 PolarHBondContact O-N 2.94Å; D16-H18 PolarHBondContact OD1-N 2.94Å; D16-L44 HydrophobicContact CB-CD1 4.14Å; D16-V57 PolarHBondContact N-O 2.81Å; D16-T58 CarbonylContact O-C 3.51Å; D16-T58 WeakPolarHBondContact O-CA 3.21Å; D16-D59 CarbonylContact C-O 3.58Å; D16-D59 VanDerWaalsContact C-O 3.28Å; D16-D59 PolarHBondContact O-N 3.48Å; D16-D59 VanDerWaalsContact O-O 3.08Å |
| 17 | R | 93.3 | Very high | 92.9 | Very high | 116 Ų | 116 | 66 Ų | 66 | 44% | 0.438 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -72.8 | -14.7 | 177.6 | 74.2 | -176 | 83.3 | -152.8 | -1.8 | 112.1 | D59 D247 | R17-D59 PolarHBondContact N-O 3.45Å; R17-D247 IonicContact CZ-OD2 3.22Å; R17-D247 IonicContact NH1-OD2 3.75Å; R17-D247 PolarHBondContact NH1-OD2 2.78Å; R17-D247 IonicContact NH2-OD2 3.44Å; R17-D247 PolarHBondContact NH2-OD2 2.66Å |
| 18 | H | 94.6 | Very high | 93.5 | Very high | 49 Ų | 49 | 56.3 Ų | 56.3 | 23% | 0.227 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -123.7 | 152.7 | 177.9 | -58.9 | 108.1 | 0 | 0 | 0 | 111.4 | D16 Y20 E110 | D16-H18 PolarHBondContact O-N 2.94Å; D16-H18 PolarHBondContact OD1-N 2.94Å; H18-Y20 HydrophobicContact CB-CD1 4.01Å; H18-Y20 HydrophobicContact CB-CD2 4.45Å; H18-Y20 HydrophobicContact CB-CE1 3.76Å; H18-Y20 HydrophobicContact CB-CE2 4.23Å; H18-Y20 HydrophobicContact CB-CG 4.35Å; H18-Y20 AromaticContact CD2-CE1 3.84Å; H18-Y20 AromaticContact CD2-CZ 3.63Å; H18-Y20 PolarHBondContact CD2-OH 3.36Å; H18-Y20 VanDerWaalsContact CD2-OH 3.3Å; H18-Y20 AromaticContact CG-CZ 3.82Å; H18-Y20 PolarHBondContact O-N 2.92Å; H18-E110 IonicContact CD2-OE1 2.77Å; H18-E110 IonicContact CE1-OE1 3.03Å; H18-E110 IonicContact NE2-OE1 2.58Å; H18-E110 PolarHBondContact NE2-OE1 3.43Å |
| 19 | S | 94.4 | Very high | 94 | Very high | 61 Ų | 61 | 53.8 Ų | 53.8 | 43% | 0.427 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -79.5 | 3.7 | 175.5 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | L44 | S19-L44 WeakPolarHBondContact O-CB 3.48Å; S19-L44 PolarHBondContact O-N 3.11Å |
| 20 | Y | 94.6 | Very high | 94.4 | Very high | 42 Ų | 42 | 45.3 Ų | 45.3 | 17% | 0.165 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 150.2 | -173.8 | 60.2 | -94.8 | 0 | 0 | 0 | 110.3 | H18 T22 Q41 Y42 M109 | H18-Y20 HydrophobicContact CB-CD1 4.01Å; H18-Y20 HydrophobicContact CB-CD2 4.45Å; H18-Y20 HydrophobicContact CB-CE1 3.76Å; H18-Y20 HydrophobicContact CB-CE2 4.23Å; H18-Y20 HydrophobicContact CB-CG 4.35Å; H18-Y20 AromaticContact CD2-CE1 3.84Å; H18-Y20 AromaticContact CD2-CZ 3.63Å; H18-Y20 PolarHBondContact CD2-OH 3.36Å; H18-Y20 VanDerWaalsContact CD2-OH 3.3Å; H18-Y20 AromaticContact CG-CZ 3.82Å; H18-Y20 PolarHBondContact O-N 2.92Å; Y20-T22 VanDerWaalsContact CE2-OG1 3.3Å; Y20-T22 WeakPolarHBondContact CE2-OG1 3.48Å; Y20-Q41 HydrophobicContact CD2-CB 3.93Å; Y20-Q41 HydrophobicContact CD2-CG 3.63Å; Y20-Q41 HydrophobicContact CE2-CB 4.48Å; Y20-Q41 HydrophobicContact CE2-CG 3.7Å; Y20-Q41 HydrophobicContact CG-CB 4.26Å; Y20-Q41 HydrophobicContact CG-CG 4.31Å; Y20-Q41 PolarHBondContact OH-NE2 3.13Å; Y20-Y42 CarbonylContact C-O 3.43Å; Y20-Y42 WeakPolarHBondContact CA-O 3.07Å; Y20-M109 HydrophobicContact CE2-CG 4.04Å |
| 21 | H | 93.4 | Very high | 94.6 | Very high | 65 Ų | 65 | 43.5 Ų | 43.5 | 30% | 0.301 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 132.6 | 168.4 | 174.5 | 68.5 | 0 | 0 | 0 | 109.6 | Y42 L44 | H21-Y42 PolarHBondContact N-O 3.04Å; H21-Y42 PolarHBondContact O-N 3.41Å; H21-L44 HydrophobicContact CB-CD2 3.86Å |
| 22 | T | 93.5 | Very high | 94.7 | Very high | 19 Ų | 19 | 36.8 Ų | 36.8 | 12% | 0.117 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.3 | 175.4 | -61.4 | 0 | 0 | 0 | 0 | 110.5 | Y20 M24 L27 M109 | Y20-T22 VanDerWaalsContact CE2-OG1 3.3Å; Y20-T22 WeakPolarHBondContact CE2-OG1 3.48Å; T22-M24 VanDerWaalsContact C-N 3.31Å; T22-M24 HydrophobicContact CG2-CG 4.33Å; T22-M24 PolarHBondContact O-N 3.16Å; T22-L27 HydrophobicContact CG2-CD2 3.91Å; T22-L27 HydrophobicContact CG2-CG 4.28Å; T22-M109 HydrophobicContact CG2-CG 3.63Å; T22-M109 HydrophobicContact CG2-SD 3.47Å; T22-M109 WeakPolarHBondContact CG2-SD 3.22Å; T22-M109 WeakPolarHBondContact OG1-CG 3.42Å |
| 23 | M | 91.9 | Very high | 94.6 | Very high | 16 Ų | 16 | 36 Ų | 36 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | trans | -74.9 | 83.9 | 168.5 | -167.6 | 71 | 179.4 | 0 | 0 | 109.8 | T25 E26 V40 Y42 Y367 | M23-T25 WeakPolarHBondContact CE-OG1 3.4Å; M23-T25 PolarHBondContact O-N 3.48Å; M23-T25 VanDerWaalsContact O-N 3.09Å; M23-E26 HydrophobicContact CG-CG 3.91Å; M23-E26 PolarHBondContact O-N 3.33Å; M23-V40 HydrophobicContact CB-CB 4.31Å; M23-V40 PolarHBondContact N-O 3.22Å; M23-Y42 HydrophobicContact CB-CE2 3.98Å; M23-Y42 HydrophobicContact SD-CE2 4.43Å; M23-Y367 HydrophobicContact CE-CD1 4.26Å; M23-Y367 HydrophobicContact CE-CE1 4.39Å; M23-Y367 HydrophobicContact SD-CD1 4.4Å; M23-Y367 HydrophobicContact SD-CE1 4Å | ||
| 24 | M | 90.8 | Very high | 94.5 | Very high | 105 Ų | 105 | 33.5 Ų | 33.5 | 52% | 0.517 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -56.8 | -29.9 | -172.2 | -71.1 | 179.6 | 172.6 | 0 | 0 | 114 | T22 E26 L27 | T22-M24 VanDerWaalsContact C-N 3.31Å; T22-M24 HydrophobicContact CG2-CG 4.33Å; T22-M24 PolarHBondContact O-N 3.16Å; M24-E26 PolarHBondContact O-N 3.4Å; M24-L27 HydrophobicContact CB-CD1 4.34Å; M24-L27 HydrophobicContact CG-CD1 4.37Å; M24-L27 PolarHBondContact O-N 2.92Å |
| 25 | T | 89.8 | Confident | 94.3 | Very high | 44 Ų | 44 | 31 Ų | 31 | 27% | 0.27 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -65.5 | -19.9 | 178.5 | 53.7 | 0 | 0 | 0 | 0 | 113.6 | M23 H28 V299 | M23-T25 WeakPolarHBondContact CE-OG1 3.4Å; M23-T25 PolarHBondContact O-N 3.48Å; M23-T25 VanDerWaalsContact O-N 3.09Å; T25-H28 PolarHBondContact O-CE1 3.2Å; T25-H28 PolarHBondContact O-ND1 3.25Å; T25-V299 HydrophobicContact CG2-CG2 3.41Å; T25-V299 VanDerWaalsContact CG2-CG2 3.41Å |
| 26 | E | 93.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -107.3 | 8.9 | -177.9 | -51.8 | -60.5 | -175.9 | 0 | 0 | 112.4 | M23 M24 H28 E29 V40 K360 N364 | M23-E26 HydrophobicContact CG-CG 3.91Å; M23-E26 PolarHBondContact O-N 3.33Å; M24-E26 PolarHBondContact O-N 3.4Å; E26-H28 PolarHBondContact O-N 3.41Å; E26-H28 IonicContact OE2-CE1 3.26Å; E26-H28 IonicContact OE2-NE2 3.78Å; E26-E29 HydrophobicContact CB-CG 4.2Å; E26-E29 VanDerWaalsContact O-CB 3.23Å; E26-E29 WeakPolarHBondContact O-CB 3.35Å; E26-E29 WeakPolarHBondContact O-CG 3.44Å; E26-E29 PolarHBondContact O-N 3.02Å; E26-V40 HydrophobicContact CB-CG1 3.61Å; E26-K360 WeakPolarHBondContact OE1-CE 3.36Å; E26-K360 IonicContact OE1-NZ 3.77Å; E26-K360 PolarHBondContact OE1-NZ 3.42Å; E26-K360 IonicContact OE2-NZ 3.4Å; E26-K360 PolarHBondContact OE2-NZ 3.35Å; E26-N364 PolarHBondContact OE1-ND2 2.93Å |
| 27 | L | 96 | Very high | 94 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.7 | -33.9 | 177.5 | -78.2 | 174.8 | 0 | 0 | 0 | 112.9 | T22 M24 E29 V30 A31 L106 S108 M109 A112 | T22-L27 HydrophobicContact CG2-CD2 3.91Å; T22-L27 HydrophobicContact CG2-CG 4.28Å; M24-L27 HydrophobicContact CB-CD1 4.34Å; M24-L27 HydrophobicContact CG-CD1 4.37Å; M24-L27 PolarHBondContact O-N 2.92Å; L27-E29 PolarHBondContact O-N 3.21Å; L27-V30 PolarHBondContact O-N 3.49Å; L27-A31 WeakPolarHBondContact O-CB 3.25Å; L27-A31 PolarHBondContact O-N 3.36Å; L27-L106 HydrophobicContact CB-CD1 4.02Å; L27-L106 HydrophobicContact CB-CG 4.44Å; L27-S108 WeakPolarHBondContact CD2-O 3.05Å; L27-M109 HydrophobicContact CD2-CG 4.24Å; L27-M109 HydrophobicContact CD2-SD 3.35Å; L27-M109 WeakPolarHBondContact CD2-SD 3.39Å; L27-A112 HydrophobicContact CD2-CB 4.04Å |
| 28 | H | 96.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.019 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.4 | -31.2 | 175.2 | 61.8 | -97.7 | 0 | 0 | 0 | 111.8 | T25 E26 G32 L106 E152 M153 E156 | T25-H28 PolarHBondContact O-CE1 3.2Å; T25-H28 PolarHBondContact O-ND1 3.25Å; E26-H28 PolarHBondContact O-N 3.41Å; E26-H28 IonicContact OE2-CE1 3.26Å; E26-H28 IonicContact OE2-NE2 3.78Å; H28-G32 PolarHBondContact O-N 2.87Å; H28-L106 HydrophobicContact CB-CD2 4.02Å; H28-E152 HydrophobicContact CB-CB 4.24Å; H28-E152 VanDerWaalsContact CE1-CD 3.46Å; H28-E152 IonicContact CE1-OE1 2.83Å; H28-E152 IonicContact CE1-OE2 3.96Å; H28-E152 PolarHBondContact CE1-OE2 2.91Å; H28-E152 IonicContact ND1-OE2 3.88Å; H28-E152 PolarHBondContact ND1-OE2 3.37Å; H28-M153 HydrophobicContact CB-CB 4.47Å; H28-M153 HydrophobicContact CB-SD 4.31Å; H28-E156 HydrophobicContact CB-CG 4.46Å; H28-E156 IonicContact CD2-OE1 3.64Å; H28-E156 WeakPolarHBondContact O-CG 3.46Å |
| 29 | E | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.9 | -39.4 | 178.3 | -50.5 | -159.1 | -179.2 | 0 | 0 | 112.5 | E26 L27 G33 R34 V35 K360 | E26-E29 HydrophobicContact CB-CG 4.2Å; E26-E29 VanDerWaalsContact O-CB 3.23Å; E26-E29 WeakPolarHBondContact O-CB 3.35Å; E26-E29 WeakPolarHBondContact O-CG 3.44Å; E26-E29 PolarHBondContact O-N 3.02Å; L27-E29 PolarHBondContact O-N 3.21Å; E29-G33 PolarHBondContact O-N 3.3Å; E29-R34 HydrophobicContact CB-CB 4.34Å; E29-R34 VanDerWaalsContact CD-CZ 3.47Å; E29-R34 WeakPolarHBondContact O-CB 3.33Å; E29-R34 PolarHBondContact O-N 3.29Å; E29-R34 IonicContact OE1-CZ 3.74Å; E29-R34 IonicContact OE1-NE 2.72Å; E29-R34 IonicContact OE1-NH2 3.1Å; E29-R34 PolarHBondContact OE1-NH2 3.34Å; E29-R34 IonicContact OE2-CZ 3.9Å; E29-R34 VanDerWaalsContact OE2-CZ 3.28Å; E29-R34 IonicContact OE2-NE 3.14Å; E29-R34 PolarHBondContact OE2-NE 3.36Å; E29-R34 IonicContact OE2-NH2 3.62Å; E29-R34 PolarHBondContact OE2-NH2 3.32Å; E29-V35 HydrophobicContact CB-CG1 4.49Å; E29-V35 HydrophobicContact CB-CG2 3.67Å; E29-V35 PolarHBondContact O-N 2.99Å; E29-K360 IonicContact OE1-NZ 4Å; E29-K360 PolarHBondContact OE1-NZ 3.28Å |
| 30 | V | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.1 | -48.3 | 174.3 | 178.1 | 0 | 0 | 0 | 0 | 110 | L27 G32 G33 V35 P37 V40 M109 A112 I113 | L27-V30 PolarHBondContact O-N 3.49Å; V30-G32 PolarHBondContact O-N 2.89Å; V30-G33 PolarHBondContact O-N 3.25Å; V30-V35 HydrophobicContact CG2-CG2 3.76Å; V30-P37 HydrophobicContact CG1-CG 4.07Å; V30-V40 HydrophobicContact CG2-CG1 4.18Å; V30-V40 HydrophobicContact CG2-CG2 3.54Å; V30-M109 HydrophobicContact CG2-CE 4.4Å; V30-A112 HydrophobicContact CB-CB 4.05Å; V30-A112 HydrophobicContact CG1-CB 4Å; V30-I113 HydrophobicContact CG1-CG1 4.48Å |
| 31 | A | 97.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.8 | -37 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L27 G33 L106 A112 I115 M153 W160 | L27-A31 WeakPolarHBondContact O-CB 3.25Å; L27-A31 PolarHBondContact O-N 3.36Å; A31-G33 VanDerWaalsContact C-N 3.26Å; A31-G33 PolarHBondContact O-N 2.97Å; A31-L106 HydrophobicContact CB-CD1 3.67Å; A31-A112 WeakPolarHBondContact CA-O 3.4Å; A31-A112 HydrophobicContact CB-CB 3.99Å; A31-I115 HydrophobicContact CB-CB 4.17Å; A31-I115 HydrophobicContact CB-CD1 4.37Å; A31-I115 HydrophobicContact CB-CG2 3.99Å; A31-M153 HydrophobicContact CB-CE 4.01Å; A31-M153 HydrophobicContact CB-SD 3.68Å; A31-W160 WeakPolarHBondContact O-CZ3 3.47Å |
| 32 | G | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 11.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | H28 V30 R34 W160 R392 | H28-G32 PolarHBondContact O-N 2.87Å; V30-G32 PolarHBondContact O-N 2.89Å; G32-R34 PolarHBondContact O-N 3.25Å; G32-R34 VanDerWaalsContact O-N 3.16Å; G32-W160 VanDerWaalsContact C-CE3 3.5Å; G32-W160 VanDerWaalsContact O-CD2 3.24Å; G32-R392 VanDerWaalsContact O-CZ 3.31Å; G32-R392 PolarHBondContact O-NH1 3.14Å; G32-R392 PolarHBondContact O-NH2 2.78Å |
| 33 | G | 93.1 | Very high | 93.5 | Very high | 11 Ų | 11 | 24.7 Ų | 24.7 | 11% | 0.113 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 26.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | E29 V30 A31 | E29-G33 PolarHBondContact O-N 3.3Å; V30-G33 PolarHBondContact O-N 3.25Å; A31-G33 VanDerWaalsContact C-N 3.26Å; A31-G33 PolarHBondContact O-N 2.97Å |
| 34 | R | 93.7 | Very high | 93.6 | Very high | 11 Ų | 11 | 24.7 Ų | 24.7 | 4% | 0.042 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -86.5 | -49.5 | 179.4 | -178.3 | 161.7 | 80.4 | -165.8 | 13.2 | 111.7 | E29 G32 E156 S338 I388 R392 | E29-R34 HydrophobicContact CB-CB 4.34Å; E29-R34 VanDerWaalsContact CD-CZ 3.47Å; E29-R34 WeakPolarHBondContact O-CB 3.33Å; E29-R34 PolarHBondContact O-N 3.29Å; E29-R34 IonicContact OE1-CZ 3.74Å; E29-R34 IonicContact OE1-NE 2.72Å; E29-R34 IonicContact OE1-NH2 3.1Å; E29-R34 PolarHBondContact OE1-NH2 3.34Å; E29-R34 IonicContact OE2-CZ 3.9Å; E29-R34 VanDerWaalsContact OE2-CZ 3.28Å; E29-R34 IonicContact OE2-NE 3.14Å; E29-R34 PolarHBondContact OE2-NE 3.36Å; E29-R34 IonicContact OE2-NH2 3.62Å; E29-R34 PolarHBondContact OE2-NH2 3.32Å; G32-R34 PolarHBondContact O-N 3.25Å; G32-R34 VanDerWaalsContact O-N 3.16Å; R34-E156 IonicContact CZ-OE1 2.71Å; R34-E156 VanDerWaalsContact CZ-OE1 3.22Å; R34-E156 IonicContact CZ-OE2 3.52Å; R34-E156 IonicContact NE-OE2 3.73Å; R34-E156 IonicContact NH1-OE1 3.55Å; R34-E156 PolarHBondContact NH1-OE1 2.61Å; R34-E156 IonicContact NH1-OE2 3.65Å; R34-E156 PolarHBondContact NH1-OE2 3.29Å; R34-E156 IonicContact NH2-OE1 2.85Å; R34-S338 VanDerWaalsContact NH1-CB 3.28Å; R34-S338 VanDerWaalsContact NH1-N 3.12Å; R34-I388 HydrophobicContact CG-CD1 3.69Å; R34-I388 HydrophobicContact CG-CG1 3.96Å; R34-R392 WeakPolarHBondContact CD-O 3.39Å; R34-R392 HydrophobicContact CG-CB 4.24Å |
| 35 | V | 92.7 | Very high | 93.7 | Very high | 9 Ų | 9 | 26.4 Ų | 26.4 | 6% | 0.055 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -119.9 | 156 | 179.6 | -56.5 | 0 | 0 | 0 | 0 | 110 | E29 V30 A39 V40 | E29-V35 HydrophobicContact CB-CG1 4.49Å; E29-V35 HydrophobicContact CB-CG2 3.67Å; E29-V35 PolarHBondContact O-N 2.99Å; V30-V35 HydrophobicContact CG2-CG2 3.76Å; V35-A39 HydrophobicContact CB-CB 3.95Å; V35-A39 HydrophobicContact CG2-CB 4.19Å; V35-V40 HydrophobicContact CG2-CG1 4.2Å |
| 36 | E | 92.3 | Very high | 93.7 | Very high | 63 Ų | 63 | 30.4 Ų | 30.4 | 29% | 0.294 | 15% | 0.149 | S | C | . | . | trans | -81.8 | 155.7 | 174 | -60.9 | -58.6 | 162.4 | 0 | 0 | 110.3 | D38 A39 R116 K389 | E36-D38 WeakPolarHBondContact CB-OD1 3.49Å; E36-D38 PolarHBondContact O-N 2.84Å; E36-D38 VanDerWaalsContact O-N 3.15Å; E36-A39 VanDerWaalsContact O-CB 3.25Å; E36-A39 WeakPolarHBondContact O-CB 3.29Å; E36-A39 PolarHBondContact O-N 3.4Å; E36-R116 IonicContact OE1-NH1 2.88Å; E36-R116 IonicContact OE1-NH2 3.7Å; E36-R116 PolarHBondContact OE1-NH2 2.9Å; E36-R116 IonicContact OE2-CZ 2.77Å; E36-R116 IonicContact OE2-NH1 2.98Å; E36-R116 PolarHBondContact OE2-NH1 3.13Å; E36-R116 IonicContact OE2-NH2 3.33Å; E36-R116 PolarHBondContact OE2-NH2 3.17Å; E36-K389 IonicContact OE1-NZ 3.81Å; E36-K389 PolarHBondContact OE1-NZ 3.25Å | ||
| 37 | P | 92.7 | Very high | 93.6 | Very high | 30 Ų | 30 | 32.5 Ų | 32.5 | 20% | 0.195 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -54.5 | -34.2 | -175 | -30.1 | 37.3 | 0 | 0 | 0 | 115.1 | V30 A39 V40 Q41 M109 I113 | V30-P37 HydrophobicContact CG1-CG 4.07Å; P37-A39 PolarHBondContact O-N 3.1Å; P37-V40 WeakPolarHBondContact O-CG2 3.49Å; P37-V40 PolarHBondContact O-N 3.44Å; P37-Q41 WeakPolarHBondContact O-CG 3.15Å; P37-Q41 PolarHBondContact O-N 3Å; P37-M109 HydrophobicContact CB-CE 3.56Å; P37-M109 WeakPolarHBondContact O-CE 3.31Å; P37-I113 HydrophobicContact CB-CD1 4.33Å; P37-I113 HydrophobicContact CG-CD1 4Å; P37-I113 HydrophobicContact CG-CG1 3.97Å |
| 38 | D | 91.1 | Very high | 93.3 | Very high | 98 Ų | 98 | 35 Ų | 35 | 52% | 0.524 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -65.5 | -21.1 | 179.6 | 63.3 | -39.3 | 0 | 0 | 0 | 113.3 | E36 V40 | E36-D38 WeakPolarHBondContact CB-OD1 3.49Å; E36-D38 PolarHBondContact O-N 2.84Å; E36-D38 VanDerWaalsContact O-N 3.15Å; D38-V40 VanDerWaalsContact C-N 3.26Å; D38-V40 PolarHBondContact O-N 3.05Å |
| 39 | A | 89.6 | Confident | 92.9 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 5% | 0.05 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -67.6 | -26.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V35 E36 P37 Y42 H383 | V35-A39 HydrophobicContact CB-CB 3.95Å; V35-A39 HydrophobicContact CG2-CB 4.19Å; E36-A39 VanDerWaalsContact O-CB 3.25Å; E36-A39 WeakPolarHBondContact O-CB 3.29Å; E36-A39 PolarHBondContact O-N 3.4Å; P37-A39 PolarHBondContact O-N 3.1Å; A39-Y42 WeakPolarHBondContact O-CE1 3.42Å; A39-Y42 PolarHBondContact O-OH 3.22Å; A39-H383 HydrophobicContact CB-CB 3.74Å |
| 40 | V | 92.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 1.2 | -176.2 | -56.8 | 0 | 0 | 0 | 0 | 112.8 | M23 E26 V30 V35 P37 D38 M109 | M23-V40 HydrophobicContact CB-CB 4.31Å; M23-V40 PolarHBondContact N-O 3.22Å; E26-V40 HydrophobicContact CB-CG1 3.61Å; V30-V40 HydrophobicContact CG2-CG1 4.18Å; V30-V40 HydrophobicContact CG2-CG2 3.54Å; V35-V40 HydrophobicContact CG2-CG1 4.2Å; P37-V40 WeakPolarHBondContact O-CG2 3.49Å; P37-V40 PolarHBondContact O-N 3.44Å; D38-V40 VanDerWaalsContact C-N 3.26Å; D38-V40 PolarHBondContact O-N 3.05Å; V40-M109 HydrophobicContact CG2-CE 3.55Å; V40-M109 HydrophobicContact CG2-SD 3.49Å; V40-M109 WeakPolarHBondContact CG2-SD 3.35Å |
| 41 | Q | 93.5 | Very high | 91.9 | Very high | 53 Ų | 53 | 50.9 Ų | 50.9 | 25% | 0.248 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 116.1 | 176.2 | -71 | 177.4 | -37.8 | 0 | 0 | 110.6 | Y20 P37 M109 | Y20-Q41 HydrophobicContact CD2-CB 3.93Å; Y20-Q41 HydrophobicContact CD2-CG 3.63Å; Y20-Q41 HydrophobicContact CE2-CB 4.48Å; Y20-Q41 HydrophobicContact CE2-CG 3.7Å; Y20-Q41 HydrophobicContact CG-CB 4.26Å; Y20-Q41 HydrophobicContact CG-CG 4.31Å; Y20-Q41 PolarHBondContact OH-NE2 3.13Å; P37-Q41 WeakPolarHBondContact O-CG 3.15Å; P37-Q41 PolarHBondContact O-N 3Å; Q41-M109 HydrophobicContact CG-CE 3.76Å; Q41-M109 HydrophobicContact CG-CG 4.16Å; Q41-M109 HydrophobicContact CG-SD 4.05Å |
| 42 | Y | 93 | Very high | 91.4 | Very high | 5 Ų | 5 | 61 Ų | 61 | 2% | 0.02 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 108.5 | 179.1 | -52.3 | -32.7 | 0 | 0 | 0 | 110.2 | Y20 H21 M23 A39 L44 F368 Y376 | Y20-Y42 CarbonylContact C-O 3.43Å; Y20-Y42 WeakPolarHBondContact CA-O 3.07Å; H21-Y42 PolarHBondContact N-O 3.04Å; H21-Y42 PolarHBondContact O-N 3.41Å; M23-Y42 HydrophobicContact CB-CE2 3.98Å; M23-Y42 HydrophobicContact SD-CE2 4.43Å; A39-Y42 WeakPolarHBondContact O-CE1 3.42Å; A39-Y42 PolarHBondContact O-OH 3.22Å; Y42-L44 PolarHBondContact O-N 3.11Å; Y42-F368 HydrophobicContact CD2-CE1 4.23Å; Y42-F368 HydrophobicContact CE1-CE1 4.48Å; Y42-F368 AromaticContact CE2-CE1 3.58Å; Y42-F368 HydrophobicContact CE2-CE1 3.58Å; Y42-F368 AromaticContact CE2-CZ 3.79Å; Y42-F368 HydrophobicContact CE2-CZ 3.79Å; Y42-F368 AromaticContact CZ-CE1 3.77Å; Y42-F368 AromaticContact CZ-CZ 3.67Å; Y42-F368 WeakPolarHBondContact OH-CZ 3.26Å; Y42-Y376 AromaticContact CD1-CD1 3.48Å; Y42-Y376 HydrophobicContact CD1-CD1 3.48Å; Y42-Y376 VanDerWaalsContact CD1-CD1 3.48Å; Y42-Y376 AromaticContact CD1-CE1 3.77Å; Y42-Y376 HydrophobicContact CD1-CE1 3.77Å; Y42-Y376 AromaticContact CD1-CG 3.96Å; Y42-Y376 HydrophobicContact CD1-CG 3.96Å; Y42-Y376 HydrophobicContact CE1-CD1 4.19Å; Y42-Y376 AromaticContact CG-CD1 3.99Å; Y42-Y376 HydrophobicContact CG-CD1 3.99Å; Y42-Y376 HydrophobicContact CG-CD2 4.28Å; Y42-Y376 HydrophobicContact CG-CE1 4.15Å; Y42-Y376 HydrophobicContact CG-CE2 4.46Å; Y42-Y376 HydrophobicContact CG-CG 4.09Å |
| 43 | D | 93.6 | Very high | 91.2 | Very high | 57 Ų | 57 | 62 Ų | 62 | 31% | 0.305 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50 | 121.1 | 175 | 175.3 | -106.3 | 0 | 0 | 0 | 111.9 | Q45 R46 L47 Y376 | D43-Q45 VanDerWaalsContact C-N 3.33Å; D43-Q45 WeakPolarHBondContact OD1-CB 3.46Å; D43-Q45 PolarHBondContact OD1-N 3.44Å; D43-R46 HydrophobicContact CB-CB 4.27Å; D43-R46 PolarHBondContact O-N 3.42Å; D43-R46 VanDerWaalsContact OD1-CB 3.23Å; D43-R46 WeakPolarHBondContact OD1-CB 3.4Å; D43-R46 PolarHBondContact OD1-N 2.85Å; D43-L47 PolarHBondContact O-N 2.99Å; D43-L47 VanDerWaalsContact O-N 3.11Å; D43-Y376 WeakPolarHBondContact CA-OH 3.35Å; D43-Y376 WeakPolarHBondContact CB-OH 3.37Å; D43-Y376 PolarHBondContact N-OH 3.27Å; D43-Y376 PolarHBondContact O-OH 3.49Å |
| 44 | L | 94.1 | Very high | 91.2 | Very high | 15 Ų | 15 | 62.5 Ų | 62.5 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.7 | -37.9 | -176.4 | -72.7 | 171.9 | 0 | 0 | 0 | 110.6 | L14 D16 S19 H21 Y42 R46 L47 F48 L56 | L14-L44 HydrophobicContact CD2-CD1 4.46Å; L14-L44 HydrophobicContact CD2-CD2 4.2Å; D16-L44 HydrophobicContact CB-CD1 4.14Å; S19-L44 WeakPolarHBondContact O-CB 3.48Å; S19-L44 PolarHBondContact O-N 3.11Å; H21-L44 HydrophobicContact CB-CD2 3.86Å; Y42-L44 PolarHBondContact O-N 3.11Å; L44-R46 VanDerWaalsContact C-N 3.29Å; L44-R46 PolarHBondContact O-N 3.05Å; L44-L47 WeakPolarHBondContact O-CB 3.4Å; L44-L47 PolarHBondContact O-N 3.44Å; L44-L47 VanDerWaalsContact O-N 3.15Å; L44-F48 HydrophobicContact CD2-CE2 4.1Å; L44-F48 WeakPolarHBondContact O-CD2 3.42Å; L44-F48 PolarHBondContact O-N 3.35Å; L44-L56 VanDerWaalsContact C-CD1 3.47Å; L44-L56 HydrophobicContact CB-CD1 3.91Å; L44-L56 HydrophobicContact CB-CD2 4.37Å |
| 45 | Q | 93 | Very high | 91.3 | Very high | 142 Ų | 142 | 64 Ų | 64 | 66% | 0.664 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -58.5 | -44.3 | 178.5 | -171 | 179.8 | 23.1 | 0 | 0 | 110.8 | D43 F48 A49 L56 | D43-Q45 VanDerWaalsContact C-N 3.33Å; D43-Q45 WeakPolarHBondContact OD1-CB 3.46Å; D43-Q45 PolarHBondContact OD1-N 3.44Å; Q45-F48 CarbonylContact O-C 3.55Å; Q45-F48 PolarHBondContact O-N 3.48Å; Q45-A49 VanDerWaalsContact O-CA 3.26Å; Q45-A49 WeakPolarHBondContact O-CA 3.28Å; Q45-A49 VanDerWaalsContact O-CB 3.26Å; Q45-A49 WeakPolarHBondContact O-CB 3.35Å; Q45-A49 PolarHBondContact O-N 3.47Å; Q45-L56 VanDerWaalsContact CA-CD1 3.43Å; Q45-L56 HydrophobicContact CB-CD1 4.17Å |
| 46 | R | 90.9 | Very high | 91.5 | Very high | 127 Ų | 127 | 66.5 Ų | 66.5 | 48% | 0.479 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.5 | -39.5 | 175.7 | 179.6 | 168.4 | -70 | -161 | 1.9 | 112.8 | D43 L44 F48 Y375 Y376 | D43-R46 HydrophobicContact CB-CB 4.27Å; D43-R46 PolarHBondContact O-N 3.42Å; D43-R46 VanDerWaalsContact OD1-CB 3.23Å; D43-R46 WeakPolarHBondContact OD1-CB 3.4Å; D43-R46 PolarHBondContact OD1-N 2.85Å; L44-R46 VanDerWaalsContact C-N 3.29Å; L44-R46 PolarHBondContact O-N 3.05Å; R46-F48 VanDerWaalsContact C-N 3.31Å; R46-F48 PolarHBondContact O-N 3.42Å; R46-Y375 PolarHBondContact NH1-OH 3.17Å; R46-Y376 HydrophobicContact CG-CE2 4.34Å |
| 47 | L | 90.2 | Very high | 91.7 | Very high | 46 Ų | 46 | 64.8 Ų | 64.8 | 24% | 0.241 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.6 | -42 | 175.8 | -109.7 | 128.1 | 0 | 0 | 0 | 111.8 | D43 L44 I371 Y376 | D43-L47 PolarHBondContact O-N 2.99Å; D43-L47 VanDerWaalsContact O-N 3.11Å; L44-L47 WeakPolarHBondContact O-CB 3.4Å; L44-L47 PolarHBondContact O-N 3.44Å; L44-L47 VanDerWaalsContact O-N 3.15Å; L47-I371 HydrophobicContact CD2-CD1 4.08Å; L47-Y376 HydrophobicContact CD1-CD2 4.08Å; L47-Y376 HydrophobicContact CD1-CE2 3.56Å; L47-Y376 HydrophobicContact CG-CD2 4.23Å; L47-Y376 HydrophobicContact CG-CE2 3.82Å |
| 48 | F | 91.1 | Very high | 91.9 | Very high | 55 Ų | 55 | 67.2 Ų | 67.2 | 24% | 0.241 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -101.9 | 2.3 | -176.2 | -67.2 | -75.5 | 0 | 0 | 0 | 114.5 | L14 L44 Q45 R46 R50 Q51 V54 L56 | L14-F48 HydrophobicContact CD2-CD2 4.44Å; L14-F48 HydrophobicContact CD2-CE2 3.72Å; L14-F48 HydrophobicContact CD2-CZ 4.22Å; L44-F48 HydrophobicContact CD2-CE2 4.1Å; L44-F48 WeakPolarHBondContact O-CD2 3.42Å; L44-F48 PolarHBondContact O-N 3.35Å; Q45-F48 CarbonylContact O-C 3.55Å; Q45-F48 PolarHBondContact O-N 3.48Å; R46-F48 VanDerWaalsContact C-N 3.31Å; R46-F48 PolarHBondContact O-N 3.42Å; F48-R50 PolarHBondContact O-N 3.32Å; F48-Q51 HydrophobicContact CD1-CB 4.38Å; F48-Q51 HydrophobicContact CD1-CG 4.18Å; F48-Q51 WeakPolarHBondContact O-CA 3.39Å; F48-Q51 WeakPolarHBondContact O-CB 3.4Å; F48-Q51 PolarHBondContact O-N 2.94Å; F48-V54 HydrophobicContact CB-CB 4.36Å; F48-V54 HydrophobicContact CB-CG1 4.16Å; F48-V54 HydrophobicContact CD1-CB 4.12Å; F48-V54 HydrophobicContact CD1-CG1 3.85Å; F48-V54 HydrophobicContact CD1-CG2 3.91Å; F48-V54 HydrophobicContact CD2-CG1 4.49Å; F48-V54 HydrophobicContact CE1-CG1 4.36Å; F48-V54 HydrophobicContact CE1-CG2 4.36Å; F48-V54 HydrophobicContact CG-CB 4.42Å; F48-V54 HydrophobicContact CG-CG1 3.92Å; F48-L56 HydrophobicContact CB-CD1 4.45Å; F48-L56 HydrophobicContact CD2-CD2 3.83Å; F48-L56 HydrophobicContact CE2-CD2 4.44Å; F48-L56 HydrophobicContact CG-CD2 4.36Å |
| 49 | A | 86.5 | Confident | 92.2 | Very high | 74 Ų | 74 | 63 Ų | 63 | 61% | 0.612 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -28 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q45 | Q45-A49 VanDerWaalsContact O-CA 3.26Å; Q45-A49 WeakPolarHBondContact O-CA 3.28Å; Q45-A49 VanDerWaalsContact O-CB 3.26Å; Q45-A49 WeakPolarHBondContact O-CB 3.35Å; Q45-A49 PolarHBondContact O-N 3.47Å |
| 50 | R | 85.3 | Confident | 92.4 | Very high | 225 Ų | 225 | 64.3 Ų | 64.3 | 85% | 0.849 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -0.1 | 179.2 | -65.5 | -176.9 | 172.4 | 176.4 | -2.6 | 113.9 | F48 | F48-R50 PolarHBondContact O-N 3.32Š|
| 51 | Q | 87.8 | Confident | 92.6 | Very high | 39 Ų | 39 | 65.5 Ų | 65.5 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | trans | -104.8 | 92.5 | -179.7 | -55.2 | -60.5 | -19.3 | 0 | 0 | 109 | A2 F48 N53 V54 | A2-Q51 HydrophobicContact CB-CG 4.36Å; F48-Q51 HydrophobicContact CD1-CB 4.38Å; F48-Q51 HydrophobicContact CD1-CG 4.18Å; F48-Q51 WeakPolarHBondContact O-CA 3.39Å; F48-Q51 WeakPolarHBondContact O-CB 3.4Å; F48-Q51 PolarHBondContact O-N 2.94Å; Q51-N53 PolarHBondContact O-N 3.36Å; Q51-V54 HydrophobicContact CB-CB 4.26Å; Q51-V54 HydrophobicContact CB-CG2 3.84Å; Q51-V54 PolarHBondContact O-N 2.96Å | ||
| 52 | K | 86.2 | Confident | 92.7 | Very high | 214 Ų | 214 | 67.4 Ų | 67.4 | 93% | 0.93 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -17.3 | -178.1 | -63.9 | -172.9 | 176.1 | -172.6 | 0 | 114 | V54 | K52-V54 VanDerWaalsContact C-N 3.31Š|
| 53 | N | 91.9 | Very high | 92.8 | Very high | 21 Ų | 21 | 67.6 Ų | 67.6 | 11% | 0.112 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 9.5 | 178.2 | 63.2 | -29.5 | 0 | 0 | 0 | 113.3 | A2 L5 V10 I12 Q51 | A2-N53 PolarHBondContact O-ND2 3.5Å; L5-N53 PolarHBondContact O-ND2 2.92Å; V10-N53 WeakPolarHBondContact O-CB 3.28Å; I12-N53 WeakPolarHBondContact CB-O 3.16Å; I12-N53 PolarHBondContact N-O 3.23Å; Q51-N53 PolarHBondContact O-N 3.36Å |
| 54 | V | 94.6 | Very high | 92.8 | Very high | 20 Ų | 20 | 65.9 Ų | 65.9 | 12% | 0.121 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 117.7 | 179.5 | -178 | 0 | 0 | 0 | 0 | 110.1 | A2 I12 F48 Q51 K52 L56 | A2-V54 HydrophobicContact CB-CG2 3.54Å; I12-V54 HydrophobicContact CB-CG2 4.32Å; I12-V54 HydrophobicContact CD1-CG2 4.5Å; I12-V54 CarbonylContact O-C 3.6Å; I12-V54 VanDerWaalsContact O-CA 3.29Å; I12-V54 WeakPolarHBondContact O-CA 3.29Å; F48-V54 HydrophobicContact CB-CB 4.36Å; F48-V54 HydrophobicContact CB-CG1 4.16Å; F48-V54 HydrophobicContact CD1-CB 4.12Å; F48-V54 HydrophobicContact CD1-CG1 3.85Å; F48-V54 HydrophobicContact CD1-CG2 3.91Å; F48-V54 HydrophobicContact CD2-CG1 4.49Å; F48-V54 HydrophobicContact CE1-CG1 4.36Å; F48-V54 HydrophobicContact CE1-CG2 4.36Å; F48-V54 HydrophobicContact CG-CB 4.42Å; F48-V54 HydrophobicContact CG-CG1 3.92Å; Q51-V54 HydrophobicContact CB-CB 4.26Å; Q51-V54 HydrophobicContact CB-CG2 3.84Å; Q51-V54 PolarHBondContact O-N 2.96Å; K52-V54 VanDerWaalsContact C-N 3.31Å; V54-L56 HydrophobicContact CG1-CD2 3.96Å |
| 55 | S | 94.7 | Very high | 92.9 | Very high | 42 Ų | 42 | 66.7 Ų | 66.7 | 29% | 0.294 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 127.9 | 171.1 | -65.7 | 0 | 0 | 0 | 0 | 108.4 | E11 I12 T13 L14 | E11-S55 PolarHBondContact OE1-OG 2.88Å; I12-S55 PolarHBondContact O-N 3.45Å; T13-S55 CarbonylContact C-O 3.57Å; T13-S55 WeakPolarHBondContact CA-O 3.46Å; L14-S55 PolarHBondContact N-O 3.25Å |
| 56 | L | 96.4 | Very high | 92.9 | Very high | 63 Ų | 63 | 61.4 Ų | 61.4 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 133.1 | 179.1 | -60.9 | 177.3 | 0 | 0 | 0 | 109.9 | L14 L44 Q45 F48 V54 | L14-L56 HydrophobicContact CB-CD2 3.97Å; L14-L56 HydrophobicContact CD2-CD2 3.87Å; L14-L56 HydrophobicContact CG-CD2 4.33Å; L44-L56 VanDerWaalsContact C-CD1 3.47Å; L44-L56 HydrophobicContact CB-CD1 3.91Å; L44-L56 HydrophobicContact CB-CD2 4.37Å; Q45-L56 VanDerWaalsContact CA-CD1 3.43Å; Q45-L56 HydrophobicContact CB-CD1 4.17Å; F48-L56 HydrophobicContact CB-CD1 4.45Å; F48-L56 HydrophobicContact CD2-CD2 3.83Å; F48-L56 HydrophobicContact CE2-CD2 4.44Å; F48-L56 HydrophobicContact CG-CD2 4.36Å; V54-L56 HydrophobicContact CG1-CD2 3.96Å |
| 57 | V | 96.5 | Very high | 92.9 | Very high | 27 Ų | 27 | 61.4 Ų | 61.4 | 16% | 0.164 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 118.6 | 178.1 | 175 | 0 | 0 | 0 | 0 | 108.6 | T13 L14 I15 D16 D59 Y78 | T13-V57 HydrophobicContact CG2-CB 4.48Å; T13-V57 HydrophobicContact CG2-CG2 3.67Å; L14-V57 PolarHBondContact O-N 3.31Å; I15-V57 WeakPolarHBondContact CA-O 3.45Å; I15-V57 HydrophobicContact CG1-CB 4.1Å; I15-V57 HydrophobicContact CG1-CG1 4.38Å; I15-V57 HydrophobicContact CG2-CG1 4.24Å; D16-V57 PolarHBondContact N-O 2.81Å; V57-D59 HydrophobicContact CG1-CB 3.88Å; V57-D59 PolarHBondContact O-N 3.36Å; V57-Y78 HydrophobicContact CG1-CE1 4.2Å; V57-Y78 HydrophobicContact CG1-CE2 4.14Å; V57-Y78 VanDerWaalsContact CG1-OH 3.24Å; V57-Y78 WeakPolarHBondContact CG1-OH 3.36Å; V57-Y78 HydrophobicContact CG2-CE1 3.85Å |
| 58 | T | 97.1 | Very high | 93.1 | Very high | 81 Ų | 81 | 66.4 Ų | 66.4 | 50% | 0.497 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 95.7 | 171.7 | -51.4 | 0 | 0 | 0 | 0 | 109.2 | D16 | D16-T58 CarbonylContact O-C 3.51Å; D16-T58 WeakPolarHBondContact O-CA 3.21Å |
| 59 | D | 96.9 | Very high | 93.3 | Very high | 10 Ų | 10 | 66.2 Ų | 66.2 | 5% | 0.053 | 33% | 0.332 | C | S | . | . | trans | -156.3 | 157.9 | 179.6 | -157.7 | -13.5 | 0 | 0 | 0 | 111.2 | I15 D16 R17 V57 T73 K74 L75 | I15-D59 HydrophobicContact CG2-CB 4.29Å; D16-D59 CarbonylContact C-O 3.58Å; D16-D59 VanDerWaalsContact C-O 3.28Å; D16-D59 PolarHBondContact O-N 3.48Å; D16-D59 VanDerWaalsContact O-O 3.08Å; R17-D59 PolarHBondContact N-O 3.45Å; V57-D59 HydrophobicContact CG1-CB 3.88Å; V57-D59 PolarHBondContact O-N 3.36Å; D59-T73 HydrophobicContact CB-CG2 4.3Å; D59-T73 WeakPolarHBondContact OD2-CB 3.5Å; D59-T73 PolarHBondContact OD2-OG1 3.4Å; D59-K74 PolarHBondContact OD1-N 2.87Å; D59-L75 PolarHBondContact OD1-N 3.13Å; D59-L75 WeakPolarHBondContact OD2-CA 3.49Å; D59-L75 WeakPolarHBondContact OD2-CB 3.4Å; D59-L75 PolarHBondContact OD2-N 2.83Å | ||
| 60 | T | 95.3 | Very high | 93.8 | Very high | 32 Ų | 32 | 64.7 Ų | 64.7 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | trans | -94 | 122.2 | 175.8 | -51.5 | 0 | 0 | 0 | 0 | 110 | T73 K74 | T60-T73 CarbonylContact O-C 3.55Å; T60-T73 WeakPolarHBondContact O-CA 3.38Å; T60-T73 WeakPolarHBondContact O-CB 3.36Å; T60-K74 PolarHBondContact O-N 2.86Å | ||
| 61 | V | 95.9 | Very high | 94.4 | Very high | 27 Ų | 27 | 54.3 Ų | 54.3 | 16% | 0.164 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 131.9 | 171.6 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | I15 V71 T73 M87 F251 | I15-V61 HydrophobicContact CG2-CG2 4.01Å; V61-V71 HydrophobicContact CB-CG1 4.45Å; V61-V71 HydrophobicContact CG1-CG1 3.7Å; V61-V71 HydrophobicContact CG2-CG1 3.95Å; V61-T73 HydrophobicContact CG2-CG2 4.2Å; V61-M87 HydrophobicContact CB-SD 4.31Å; V61-F251 HydrophobicContact CG1-CE1 4.32Å; V61-F251 HydrophobicContact CG1-CE2 4.38Å; V61-F251 HydrophobicContact CG1-CZ 3.65Å |
| 62 | I | 95 | Very high | 94.8 | Very high | 93 Ų | 93 | 56.2 Ų | 56.2 | 48% | 0.477 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | -9.2 | 179.9 | 60.8 | 171.3 | 0 | 0 | 0 | 112.9 | K72 T73 K74 | I62-K72 HydrophobicContact CG1-CB 4.16Å; I62-K72 WeakPolarHBondContact CG1-O 3.34Å; I62-K72 PolarHBondContact N-O 3.31Å; I62-T73 WeakPolarHBondContact CD1-O 3.48Å; I62-K74 HydrophobicContact CG2-CG 3.72Å |
| 63 | G | 94.9 | Very high | 95.3 | Very high | 10 Ų | 10 | 46.4 Ų | 46.4 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.9 | 165.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K72 | G63-K72 PolarHBondContact N-O 2.88Å; G63-K72 WeakPolarHBondContact O-CB 3.42Å; G63-K72 PolarHBondContact O-N 3.38Å |
| 64 | I | 95.4 | Very high | 95.5 | Very high | 20 Ų | 20 | 52.3 Ų | 52.3 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 124.1 | 176.8 | -57.1 | 167.7 | 0 | 0 | 0 | 108.3 | K66 F80 L83 I85 F251 | I64-K66 HydrophobicContact CG2-CG 4.1Å; I64-K66 PolarHBondContact O-N 2.86Å; I64-F80 HydrophobicContact CG2-CE1 4.11Å; I64-F80 HydrophobicContact CG2-CZ 4.28Å; I64-L83 HydrophobicContact CD1-CD2 3.72Å; I64-L83 HydrophobicContact CG1-CD2 4.22Å; I64-L83 HydrophobicContact CG2-CD2 3.94Å; I64-I85 HydrophobicContact CD1-CD1 3.44Å; I64-I85 VanDerWaalsContact CD1-CD1 3.44Å; I64-I85 HydrophobicContact CD1-CG1 4.09Å; I64-F251 HydrophobicContact CD1-CB 4.38Å; I64-F251 HydrophobicContact CD1-CD2 3.32Å; I64-F251 HydrophobicContact CD1-CE2 3.61Å; I64-F251 HydrophobicContact CD1-CG 3.91Å; I64-F251 HydrophobicContact CD1-CZ 4.45Å; I64-F251 HydrophobicContact CG1-CD2 3.97Å; I64-F251 HydrophobicContact CG1-CE2 4.08Å; I64-F251 HydrophobicContact CG1-CG 4.18Å; I64-F251 HydrophobicContact CG1-CZ 4.46Å |
| 65 | D | 94.7 | Very high | 95.5 | Very high | 32 Ų | 32 | 58.4 Ų | 58.4 | 17% | 0.171 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 95.8 | 166.6 | -166.7 | -36.8 | 0 | 0 | 0 | 108.4 | E67 K68 K69 I70 | D65-E67 VanDerWaalsContact C-N 3.27Å; D65-E67 PolarHBondContact O-N 2.96Å; D65-E67 PolarHBondContact OD1-N 2.98Å; D65-K68 HydrophobicContact CB-CB 4.34Å; D65-K68 PolarHBondContact OD1-N 3.36Å; D65-K68 WeakPolarHBondContact OD2-CD 3.49Å; D65-K69 VanDerWaalsContact O-CA 3.26Å; D65-K69 WeakPolarHBondContact O-CA 3.32Å; D65-K69 PolarHBondContact O-N 3.49Å; D65-I70 HydrophobicContact CB-CB 4.3Å; D65-I70 PolarHBondContact N-O 2.78Å; D65-I70 PolarHBondContact O-N 3.49Å |
| 66 | K | 92.7 | Very high | 95.5 | Very high | 31 Ų | 31 | 57.5 Ų | 57.5 | 14% | 0.135 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -28.4 | -174.8 | -63.3 | 173.6 | -64.5 | -143.7 | 0 | 112.6 | I64 F251 G252 L253 Y272 I277 | I64-K66 HydrophobicContact CG2-CG 4.1Å; I64-K66 PolarHBondContact O-N 2.86Å; K66-F251 PolarHBondContact NZ-O 3.22Å; K66-G252 VanDerWaalsContact NZ-C 3.28Å; K66-G252 PolarHBondContact NZ-O 3.15Å; K66-L253 HydrophobicContact CD-CD2 3.99Å; K66-Y272 HydrophobicContact CD-CD1 3.99Å; K66-Y272 HydrophobicContact CD-CD2 4.33Å; K66-Y272 HydrophobicContact CD-CE1 3.67Å; K66-Y272 HydrophobicContact CD-CE2 4.02Å; K66-Y272 HydrophobicContact CD-CG 4.31Å; K66-Y272 WeakPolarHBondContact CE-OH 3.49Å; K66-Y272 PolarHBondContact NZ-OH 3.38Å; K66-Y272 VanDerWaalsContact NZ-OH 3.07Å; K66-I277 HydrophobicContact CB-CD1 4.4Å; K66-I277 HydrophobicContact CD-CD1 4.37Å; K66-I277 HydrophobicContact CG-CD1 3.87Å |
| 67 | E | 91.9 | Very high | 95.6 | Very high | 127 Ų | 127 | 61.7 Ų | 61.7 | 59% | 0.593 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -44.8 | -179.9 | -63.2 | -48.9 | 138.8 | 0 | 0 | 111.9 | D65 K69 K275 | D65-E67 VanDerWaalsContact C-N 3.27Å; D65-E67 PolarHBondContact O-N 2.96Å; D65-E67 PolarHBondContact OD1-N 2.98Å; E67-K69 PolarHBondContact O-N 2.92Å; E67-K275 IonicContact OE1-NZ 3.64Å; E67-K275 IonicContact OE2-NZ 3.95Å; E67-K275 PolarHBondContact OE2-NZ 2.86Å |
| 68 | K | 94.1 | Very high | 95.6 | Very high | 152 Ų | 152 | 63.4 Ų | 63.4 | 66% | 0.661 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -5.5 | 176.4 | -60.9 | -176.6 | -175.9 | 173.8 | 0 | 113.2 | D65 I70 | D65-K68 HydrophobicContact CB-CB 4.34Å; D65-K68 PolarHBondContact OD1-N 3.36Å; D65-K68 WeakPolarHBondContact OD2-CD 3.49Å; K68-I70 HydrophobicContact CB-CD1 3.84Å; K68-I70 HydrophobicContact CB-CG1 4.14Å |
| 69 | K | 95.7 | Very high | 95.6 | Very high | 51 Ų | 51 | 64.9 Ų | 64.9 | 22% | 0.222 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 57.2 | -171.1 | -63.6 | -170 | 167 | -165.4 | 0 | 112.5 | D65 E67 P79 F80 D81 K275 D276 | D65-K69 VanDerWaalsContact O-CA 3.26Å; D65-K69 WeakPolarHBondContact O-CA 3.32Å; D65-K69 PolarHBondContact O-N 3.49Å; E67-K69 PolarHBondContact O-N 2.92Å; K69-P79 WeakPolarHBondContact O-CA 3.32Å; K69-F80 HydrophobicContact CB-CD1 4.28Å; K69-F80 HydrophobicContact CB-CD2 4.12Å; K69-F80 HydrophobicContact CB-CE1 4.04Å; K69-F80 HydrophobicContact CB-CE2 3.86Å; K69-F80 HydrophobicContact CB-CG 4.34Å; K69-F80 HydrophobicContact CB-CZ 3.83Å; K69-F80 VanDerWaalsContact CB-O 3.28Å; K69-F80 WeakPolarHBondContact CB-O 3.37Å; K69-F80 HydrophobicContact CD-CE2 4.25Å; K69-F80 HydrophobicContact CG-CE2 4.01Å; K69-F80 HydrophobicContact CG-CZ 4.18Å; K69-F80 WeakPolarHBondContact O-CD1 3.3Å; K69-F80 PolarHBondContact O-N 2.98Å; K69-D81 PolarHBondContact NZ-O 3.09Å; K69-K275 WeakPolarHBondContact CE-O 3.1Å; K69-K275 PolarHBondContact NZ-O 3.44Å; K69-D276 IonicContact NZ-OD2 2.75Å |
| 70 | I | 97.2 | Very high | 95.6 | Very high | 41 Ų | 41 | 65.6 Ų | 65.6 | 21% | 0.21 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 126.7 | 179.3 | -64.9 | 169.1 | 0 | 0 | 0 | 110.1 | D65 K68 K77 Y78 | D65-I70 HydrophobicContact CB-CB 4.3Å; D65-I70 PolarHBondContact N-O 2.78Å; D65-I70 PolarHBondContact O-N 3.49Å; K68-I70 HydrophobicContact CB-CD1 3.84Å; K68-I70 HydrophobicContact CB-CG1 4.14Å; I70-K77 HydrophobicContact CG2-CB 3.75Å; I70-K77 HydrophobicContact CG2-CD 4.46Å; I70-K77 HydrophobicContact CG2-CG 4.18Å; I70-Y78 WeakPolarHBondContact CA-O 3.43Å |
| 71 | V | 97.2 | Very high | 95.6 | Very high | 8 Ų | 8 | 70.4 Ų | 70.4 | 5% | 0.048 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 125.7 | 165 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | I15 V61 T73 K77 Y78 F80 L83 | I15-V71 HydrophobicContact CD1-CG1 4.16Å; V61-V71 HydrophobicContact CB-CG1 4.45Å; V61-V71 HydrophobicContact CG1-CG1 3.7Å; V61-V71 HydrophobicContact CG2-CG1 3.95Å; V71-T73 HydrophobicContact CG1-CG2 4.31Å; V71-K77 WeakPolarHBondContact O-CA 3.39Å; V71-Y78 PolarHBondContact N-O 2.98Å; V71-Y78 PolarHBondContact O-N 3.45Å; V71-F80 HydrophobicContact CG2-CD1 3.82Å; V71-F80 HydrophobicContact CG2-CE1 4.1Å; V71-L83 HydrophobicContact CG2-CD1 3.62Å; V71-L83 HydrophobicContact CG2-CD2 3.98Å; V71-L83 HydrophobicContact CG2-CG 4.46Å |
| 72 | K | 96.5 | Very high | 95.6 | Very high | 79 Ų | 79 | 71.4 Ų | 71.4 | 34% | 0.343 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 127.2 | 174.8 | -61.8 | 174.6 | -175.3 | 163.5 | 0 | 108.7 | I62 G63 | I62-K72 HydrophobicContact CG1-CB 4.16Å; I62-K72 WeakPolarHBondContact CG1-O 3.34Å; I62-K72 PolarHBondContact N-O 3.31Å; G63-K72 PolarHBondContact N-O 2.88Å; G63-K72 WeakPolarHBondContact O-CB 3.42Å; G63-K72 PolarHBondContact O-N 3.38Å |
| 73 | T | 96.3 | Very high | 95.6 | Very high | 8 Ų | 8 | 68.1 Ų | 68.1 | 5% | 0.049 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 178.9 | 173.9 | 65.7 | 0 | 0 | 0 | 0 | 109.8 | I15 D59 T60 V61 I62 V71 L75 G76 Y78 | I15-T73 HydrophobicContact CD1-CG2 4.17Å; I15-T73 HydrophobicContact CG2-CG2 4.07Å; D59-T73 HydrophobicContact CB-CG2 4.3Å; D59-T73 WeakPolarHBondContact OD2-CB 3.5Å; D59-T73 PolarHBondContact OD2-OG1 3.4Å; T60-T73 CarbonylContact O-C 3.55Å; T60-T73 WeakPolarHBondContact O-CA 3.38Å; T60-T73 WeakPolarHBondContact O-CB 3.36Å; V61-T73 HydrophobicContact CG2-CG2 4.2Å; I62-T73 WeakPolarHBondContact CD1-O 3.48Å; V71-T73 HydrophobicContact CG1-CG2 4.31Å; T73-L75 VanDerWaalsContact C-N 3.32Å; T73-G76 PolarHBondContact N-O 3.41Å; T73-G76 WeakPolarHBondContact OG1-CA 3.46Å; T73-G76 PolarHBondContact OG1-N 2.9Å; T73-G76 PolarHBondContact OG1-O 2.71Å; T73-G76 VanDerWaalsContact OG1-O 3.08Å; T73-Y78 HydrophobicContact CG2-CD2 3.82Å; T73-Y78 HydrophobicContact CG2-CE2 3.73Å; T73-Y78 WeakPolarHBondContact OG1-CE2 3.46Å |
| 74 | K | 95.9 | Very high | 95.8 | Very high | 144 Ų | 144 | 70.1 Ų | 70.1 | 63% | 0.626 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -66.3 | -35.2 | 177.7 | -70.9 | -178.7 | 179.1 | 169.4 | 0 | 112.4 | D59 T60 I62 | D59-K74 PolarHBondContact OD1-N 2.87Å; T60-K74 PolarHBondContact O-N 2.86Å; I62-K74 HydrophobicContact CG2-CG 3.72Å |
| 75 | L | 95.8 | Very high | 95.8 | Very high | 149 Ų | 149 | 69.5 Ų | 69.5 | 78% | 0.78 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -105.6 | -11.4 | -174 | -51.6 | 174.3 | 0 | 0 | 0 | 113.5 | D59 T73 | D59-L75 PolarHBondContact OD1-N 3.13Å; D59-L75 WeakPolarHBondContact OD2-CA 3.49Å; D59-L75 WeakPolarHBondContact OD2-CB 3.4Å; D59-L75 PolarHBondContact OD2-N 2.83Å; T73-L75 VanDerWaalsContact C-N 3.32Å |
| 76 | G | 95.2 | Very high | 95.8 | Very high | 22 Ų | 22 | 70.2 Ų | 70.2 | 23% | 0.227 | 36% | 0.357 | C | S | . | . | trans | -161.3 | -176.7 | -168.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | T73 | T73-G76 PolarHBondContact N-O 3.41Å; T73-G76 WeakPolarHBondContact OG1-CA 3.46Å; T73-G76 PolarHBondContact OG1-N 2.9Å; T73-G76 PolarHBondContact OG1-O 2.71Å; T73-G76 VanDerWaalsContact OG1-O 3.08Å | ||
| 77 | K | 97.4 | Very high | 95.9 | Very high | 152 Ų | 152 | 71 Ų | 71 | 66% | 0.661 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 129.3 | 175.8 | -70.8 | -178.8 | -173.5 | 172.4 | 0 | 108.2 | I70 V71 | I70-K77 HydrophobicContact CG2-CB 3.75Å; I70-K77 HydrophobicContact CG2-CD 4.46Å; I70-K77 HydrophobicContact CG2-CG 4.18Å; V71-K77 WeakPolarHBondContact O-CA 3.39Å |
| 78 | Y | 97.1 | Very high | 95.9 | Very high | 63 Ų | 63 | 65.8 Ų | 65.8 | 25% | 0.247 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 111.1 | -175 | -59.4 | -86.3 | 0 | 0 | 0 | 109.3 | T13 I15 V57 I70 V71 T73 | T13-Y78 HydrophobicContact CG2-CD1 4.37Å; I15-Y78 HydrophobicContact CD1-CD2 3.67Å; I15-Y78 HydrophobicContact CD1-CE2 4.26Å; I15-Y78 HydrophobicContact CD1-CG 3.9Å; V57-Y78 HydrophobicContact CG1-CE1 4.2Å; V57-Y78 HydrophobicContact CG1-CE2 4.14Å; V57-Y78 VanDerWaalsContact CG1-OH 3.24Å; V57-Y78 WeakPolarHBondContact CG1-OH 3.36Å; V57-Y78 HydrophobicContact CG2-CE1 3.85Å; I70-Y78 WeakPolarHBondContact CA-O 3.43Å; V71-Y78 PolarHBondContact N-O 2.98Å; V71-Y78 PolarHBondContact O-N 3.45Å; T73-Y78 HydrophobicContact CG2-CD2 3.82Å; T73-Y78 HydrophobicContact CG2-CE2 3.73Å; T73-Y78 WeakPolarHBondContact OG1-CE2 3.46Å |
| 79 | P | 96.9 | Very high | 95.8 | Very high | 112 Ų | 112 | 59 Ų | 59 | 73% | 0.727 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 150.9 | 173.6 | 29.7 | -33.6 | 0 | 0 | 0 | 110.3 | K69 | K69-P79 WeakPolarHBondContact O-CA 3.32Å |
| 80 | F | 96.3 | Very high | 95.6 | Very high | 24 Ų | 24 | 58.5 Ų | 58.5 | 11% | 0.105 | 31% | 0.314 | C | S | . | . | trans | -141.4 | 147.6 | 177.2 | 67.4 | -94.6 | 0 | 0 | 0 | 112.1 | I64 K69 V71 L83 I277 | I64-F80 HydrophobicContact CG2-CE1 4.11Å; I64-F80 HydrophobicContact CG2-CZ 4.28Å; K69-F80 HydrophobicContact CB-CD1 4.28Å; K69-F80 HydrophobicContact CB-CD2 4.12Å; K69-F80 HydrophobicContact CB-CE1 4.04Å; K69-F80 HydrophobicContact CB-CE2 3.86Å; K69-F80 HydrophobicContact CB-CG 4.34Å; K69-F80 HydrophobicContact CB-CZ 3.83Å; K69-F80 VanDerWaalsContact CB-O 3.28Å; K69-F80 WeakPolarHBondContact CB-O 3.37Å; K69-F80 HydrophobicContact CD-CE2 4.25Å; K69-F80 HydrophobicContact CG-CE2 4.01Å; K69-F80 HydrophobicContact CG-CZ 4.18Å; K69-F80 WeakPolarHBondContact O-CD1 3.3Å; K69-F80 PolarHBondContact O-N 2.98Å; V71-F80 HydrophobicContact CG2-CD1 3.82Å; V71-F80 HydrophobicContact CG2-CE1 4.1Å; F80-L83 HydrophobicContact CD1-CB 4.34Å; F80-L83 HydrophobicContact CD1-CD2 4.35Å; F80-L83 HydrophobicContact CD2-CB 3.55Å; F80-L83 HydrophobicContact CE1-CB 4.33Å; F80-L83 HydrophobicContact CE1-CD2 3.84Å; F80-L83 HydrophobicContact CE2-CB 3.56Å; F80-L83 HydrophobicContact CE2-CD2 4.3Å; F80-L83 HydrophobicContact CG-CB 3.95Å; F80-L83 HydrophobicContact CZ-CB 3.96Å; F80-L83 HydrophobicContact CZ-CD2 3.81Å; F80-I277 HydrophobicContact CE2-CG1 4.29Å; F80-I277 HydrophobicContact CZ-CG1 4.37Å | ||
| 81 | D | 95.5 | Very high | 95.4 | Very high | 134 Ų | 134 | 58.3 Ų | 58.3 | 72% | 0.717 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -90 | -37.6 | 165 | -61.5 | -56.7 | 0 | 0 | 0 | 111.3 | K69 D276 | K69-D81 PolarHBondContact NZ-O 3.09Å; D81-D276 VanDerWaalsContact O-CB 3.31Å; D81-D276 WeakPolarHBondContact O-CB 3.47Å |
| 82 | Q | 95.1 | Very high | 95.2 | Very high | 48 Ų | 48 | 59.2 Ų | 59.2 | 22% | 0.224 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -133.9 | 132.7 | -179.5 | -56.8 | -77.4 | -39.1 | 0 | 0 | 108.3 | D276 Y278 I313 | Q82-D276 HydrophobicContact CG-CB 4.49Å; Q82-D276 PolarHBondContact NE2-OD1 3.11Å; Q82-D276 PolarHBondContact NE2-OD2 2.93Å; Q82-D276 PolarHBondContact OE1-OD1 3.14Å; Q82-Y278 VanDerWaalsContact OE1-CE2 3.25Å; Q82-Y278 PolarHBondContact OE1-OH 2.91Å; Q82-I313 HydrophobicContact CB-CD1 4.26Å; Q82-I313 HydrophobicContact CB-CG1 4.43Å; Q82-I313 HydrophobicContact CB-CG2 4.43Å; Q82-I313 HydrophobicContact CG-CG2 4.23Å |
| 83 | L | 96.9 | Very high | 95 | Very high | 23 Ų | 23 | 57.1 Ų | 57.1 | 12% | 0.12 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 128.7 | -179.2 | 177.3 | 61.1 | 0 | 0 | 0 | 111 | I64 V71 F80 I85 D276 I277 Y278 | I64-L83 HydrophobicContact CD1-CD2 3.72Å; I64-L83 HydrophobicContact CG1-CD2 4.22Å; I64-L83 HydrophobicContact CG2-CD2 3.94Å; V71-L83 HydrophobicContact CG2-CD1 3.62Å; V71-L83 HydrophobicContact CG2-CD2 3.98Å; V71-L83 HydrophobicContact CG2-CG 4.46Å; F80-L83 HydrophobicContact CD1-CB 4.34Å; F80-L83 HydrophobicContact CD1-CD2 4.35Å; F80-L83 HydrophobicContact CD2-CB 3.55Å; F80-L83 HydrophobicContact CE1-CB 4.33Å; F80-L83 HydrophobicContact CE1-CD2 3.84Å; F80-L83 HydrophobicContact CE2-CB 3.56Å; F80-L83 HydrophobicContact CE2-CD2 4.3Å; F80-L83 HydrophobicContact CG-CB 3.95Å; F80-L83 HydrophobicContact CZ-CB 3.96Å; F80-L83 HydrophobicContact CZ-CD2 3.81Å; L83-I85 HydrophobicContact CD2-CD1 4.37Å; L83-I85 HydrophobicContact CD2-CG1 4.11Å; L83-I85 HydrophobicContact CG-CG1 4.06Å; L83-D276 PolarHBondContact N-O 3.19Å; L83-I277 HydrophobicContact CB-CG1 4.49Å; L83-I277 HydrophobicContact CD2-CG2 4.43Å; L83-I277 CarbonylContact O-C 3.4Å; L83-Y278 PolarHBondContact O-N 2.9Å |
| 84 | I | 97.3 | Very high | 94.7 | Very high | 53 Ų | 53 | 62.8 Ų | 62.8 | 27% | 0.272 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 124.3 | 166.5 | -61.5 | -175.3 | 0 | 0 | 0 | 108.7 | M1 I280 A309 I313 | M1-I84 HydrophobicContact CE-CD1 3.33Å; M1-I84 HydrophobicContact CE-CG1 4.24Å; I84-I280 HydrophobicContact CG2-CD1 3.45Å; I84-I280 VanDerWaalsContact CG2-CD1 3.45Å; I84-I280 HydrophobicContact CG2-CG1 3.62Å; I84-I280 HydrophobicContact CG2-CG2 4.1Å; I84-A309 HydrophobicContact CD1-CB 4.28Å; I84-I313 HydrophobicContact CD1-CD1 3.69Å; I84-I313 HydrophobicContact CG1-CD1 3.58Å |
| 85 | I | 96.9 | Very high | 94.4 | Very high | 6 Ų | 6 | 58.7 Ų | 58.7 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 106.9 | 173 | -49.9 | 175.4 | 0 | 0 | 0 | 108 | I64 L83 M87 F251 L253 I277 Y278 I280 L283 | I64-I85 HydrophobicContact CD1-CD1 3.44Å; I64-I85 VanDerWaalsContact CD1-CD1 3.44Å; I64-I85 HydrophobicContact CD1-CG1 4.09Å; L83-I85 HydrophobicContact CD2-CD1 4.37Å; L83-I85 HydrophobicContact CD2-CG1 4.11Å; L83-I85 HydrophobicContact CG-CG1 4.06Å; I85-M87 HydrophobicContact CG2-CE 3.99Å; I85-M87 HydrophobicContact CG2-CG 4.01Å; I85-M87 HydrophobicContact CG2-SD 4.33Å; I85-F251 HydrophobicContact CD1-CD2 4.41Å; I85-F251 HydrophobicContact CG2-CE2 4.46Å; I85-L253 HydrophobicContact CD1-CD1 3.58Å; I85-I277 HydrophobicContact CD1-CG2 3.7Å; I85-I277 HydrophobicContact CG1-CG2 4.24Å; I85-Y278 PolarHBondContact N-O 3.32Å; I85-I280 PolarHBondContact O-N 3.28Å; I85-L283 HydrophobicContact CG2-CD2 3.56Å |
| 86 | G | 95.2 | Very high | 94.3 | Very high | 48 Ų | 48 | 52.7 Ų | 52.7 | 50% | 0.495 | 31% | 0.305 | S | S | . | . | trans | -129 | 46.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G88 | G86-G88 PolarHBondContact O-N 2.99Š| ||
| 87 | M | 93.4 | Very high | 94.3 | Very high | 46 Ų | 46 | 55.4 Ų | 55.4 | 23% | 0.227 | 32% | 0.318 | C | S | . | . | trans | -81.6 | 4.8 | -171.8 | -56.5 | -172.9 | -50.9 | 0 | 0 | 114.3 | V61 I85 T245 D247 A248 F251 L283 | V61-M87 HydrophobicContact CB-SD 4.31Å; I85-M87 HydrophobicContact CG2-CE 3.99Å; I85-M87 HydrophobicContact CG2-CG 4.01Å; I85-M87 HydrophobicContact CG2-SD 4.33Å; M87-T245 HydrophobicContact CB-CG2 3.8Å; M87-T245 HydrophobicContact CE-CG2 3.92Å; M87-D247 HydrophobicContact CE-CB 4.4Å; M87-A248 HydrophobicContact CE-CB 3.54Å; M87-F251 HydrophobicContact CE-CD2 4.21Å; M87-F251 HydrophobicContact CE-CE2 3.24Å; M87-F251 HydrophobicContact CE-CZ 3.56Å; M87-F251 HydrophobicContact SD-CE2 3.85Å; M87-F251 HydrophobicContact SD-CZ 3.91Å; M87-L283 HydrophobicContact CE-CD2 4.34Å | ||
| 88 | G | 92.7 | Very high | 94.3 | Very high | 19 Ų | 19 | 48.9 Ų | 48.9 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | trans | 72.1 | -161.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | G86 T245 | G86-G88 PolarHBondContact O-N 2.99Å; G88-T245 PolarHBondContact O-N 2.85Å | ||
| 89 | G | 91.4 | Very high | 94.2 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 9% | 0.093 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | -175.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | W107 K243 | G89-W107 PolarHBondContact O-NE1 2.87Å; G89-K243 CarbonylContact C-O 3.56Å; G89-K243 WeakPolarHBondContact CA-O 3.14Å |
| 90 | E | 92.5 | Very high | 94 | Very high | 41 Ų | 41 | 48.4 Ų | 48.4 | 19% | 0.192 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 160.7 | 165.4 | 70 | -176 | -151.9 | 0 | 0 | 109.8 | V242 K243 S246 | E90-V242 WeakPolarHBondContact O-CA 3.3Å; E90-K243 HydrophobicContact CG-CD 4.37Å; E90-K243 HydrophobicContact CG-CG 3.78Å; E90-K243 PolarHBondContact N-O 2.93Å; E90-K243 PolarHBondContact O-N 3.02Å; E90-K243 WeakPolarHBondContact OE1-CE 3.44Å; E90-K243 IonicContact OE1-NZ 3.53Å; E90-K243 PolarHBondContact OE1-NZ 3.1Å; E90-S246 PolarHBondContact OE1-OG 3.34Å; E90-S246 WeakPolarHBondContact OE2-CB 3.13Å; E90-S246 PolarHBondContact OE2-N 2.88Å; E90-S246 PolarHBondContact OE2-OG 2.66Å |
| 91 | P | 92.3 | Very high | 94 | Very high | 37 Ų | 37 | 53.5 Ų | 53.5 | 24% | 0.24 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 143 | 176.2 | -25.1 | 35 | 0 | 0 | 0 | 112.6 | T105 W107 K243 | P91-T105 HydrophobicContact CB-CG2 3.5Å; P91-T105 VanDerWaalsContact CB-CG2 3.5Å; P91-T105 HydrophobicContact CG-CG2 3.57Å; P91-W107 HydrophobicContact CG-CB 3.67Å; P91-W107 HydrophobicContact CG-CG 4.09Å; P91-K243 WeakPolarHBondContact O-CE 3.15Å |
| 92 | N | 93.4 | Very high | 94 | Very high | 26 Ų | 26 | 50.9 Ų | 50.9 | 14% | 0.139 | 29% | 0.29 | C | S | . | . | trans | -107.8 | 113.4 | 175.2 | -168.8 | -3.7 | 0 | 0 | 0 | 110.5 | F94 W238 G241 K243 | N92-F94 VanDerWaalsContact C-N 3.29Å; N92-F94 HydrophobicContact CB-CZ 4.38Å; N92-F94 WeakPolarHBondContact ND2-CE1 3.25Å; N92-F94 PolarHBondContact OD1-N 3.18Å; N92-W238 PolarHBondContact O-NE1 3.45Å; N92-G241 PolarHBondContact N-O 2.78Å; N92-G241 VanDerWaalsContact N-O 3.14Å; N92-K243 HydrophobicContact CB-CB 4.26Å; N92-K243 HydrophobicContact CB-CD 4.25Å; N92-K243 HydrophobicContact CB-CG 4.07Å | ||
| 93 | D | 90.9 | Very high | 94.1 | Very high | 35 Ų | 35 | 49 Ų | 49 | 19% | 0.187 | 28% | 0.284 | C | S | . | . | trans | -80.7 | -9.1 | 177.2 | 58.8 | 16.7 | 0 | 0 | 0 | 113.6 | G95 T96 V99 K100 | D93-G95 PolarHBondContact O-N 3.34Å; D93-G95 VanDerWaalsContact O-N 3.09Å; D93-G95 PolarHBondContact OD1-N 2.91Å; D93-T96 VanDerWaalsContact O-CB 3.31Å; D93-T96 WeakPolarHBondContact O-CB 3.49Å; D93-T96 PolarHBondContact O-N 3.17Å; D93-T96 PolarHBondContact O-OG1 2.89Å; D93-V99 HydrophobicContact CB-CB 4.11Å; D93-V99 HydrophobicContact CB-CG1 3.83Å; D93-K100 WeakPolarHBondContact OD2-CE 3.47Å; D93-K100 IonicContact OD2-NZ 2.76Å | ||
| 94 | F | 89.9 | Confident | 94.1 | Very high | 127 Ų | 127 | 49 Ų | 49 | 56% | 0.557 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 22 | -172.1 | -58.7 | -73.3 | 0 | 0 | 0 | 114.5 | N92 T96 W238 A240 | N92-F94 VanDerWaalsContact C-N 3.29Å; N92-F94 HydrophobicContact CB-CZ 4.38Å; N92-F94 WeakPolarHBondContact ND2-CE1 3.25Å; N92-F94 PolarHBondContact OD1-N 3.18Å; F94-T96 PolarHBondContact O-N 3.29Å; F94-W238 HydrophobicContact CD2-CZ2 4.13Å; F94-A240 HydrophobicContact CE2-CB 4.37Å; F94-A240 WeakPolarHBondContact CE2-O 3.46Å |
| 95 | G | 89.9 | Confident | 94.1 | Very high | 59 Ų | 59 | 48.4 Ų | 48.4 | 61% | 0.608 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 17.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | D93 P97 | D93-G95 PolarHBondContact O-N 3.34Å; D93-G95 VanDerWaalsContact O-N 3.09Å; D93-G95 PolarHBondContact OD1-N 2.91Å; G95-P97 WeakPolarHBondContact O-CD 3.46Å |
| 96 | T | 94.5 | Very high | 94 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 14% | 0.135 | 28% | 0.282 | C | S | . | . | trans | -66.9 | 119 | 177.8 | -49.9 | 0 | 0 | 0 | 0 | 109.6 | D93 F94 G98 V99 I215 W238 | D93-T96 VanDerWaalsContact O-CB 3.31Å; D93-T96 WeakPolarHBondContact O-CB 3.49Å; D93-T96 PolarHBondContact O-N 3.17Å; D93-T96 PolarHBondContact O-OG1 2.89Å; F94-T96 PolarHBondContact O-N 3.29Å; T96-G98 PolarHBondContact O-N 2.88Å; T96-V99 HydrophobicContact CG2-CG2 3.85Å; T96-V99 WeakPolarHBondContact O-CG2 3.29Å; T96-V99 PolarHBondContact O-N 3.47Å; T96-I215 HydrophobicContact CG2-CG2 4.36Å; T96-W238 HydrophobicContact CG2-CH2 4.24Å | ||
| 97 | P | 96 | Very high | 93.9 | Very high | 79 Ų | 79 | 48.7 Ų | 48.7 | 51% | 0.513 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 134.3 | -178.5 | -27.8 | 34.9 | 0 | 0 | 0 | 113.2 | G95 V99 T216 V218 | G95-P97 WeakPolarHBondContact O-CD 3.46Å; P97-V99 VanDerWaalsContact C-N 3.31Å; P97-V99 PolarHBondContact O-N 3.48Å; P97-T216 WeakPolarHBondContact CD-O 3.31Å; P97-V218 PolarHBondContact O-N 3.47Å |
| 98 | G | 96 | Very high | 93.9 | Very high | 16 Ų | 16 | 48.2 Ų | 48.2 | 17% | 0.165 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | T96 K100 E101 H102 V218 | T96-G98 PolarHBondContact O-N 2.88Å; G98-K100 VanDerWaalsContact C-N 3.32Å; G98-K100 PolarHBondContact O-N 3.5Å; G98-E101 VanDerWaalsContact C-OE2 3.26Å; G98-E101 WeakPolarHBondContact CA-OE2 3.4Å; G98-E101 PolarHBondContact O-N 3.29Å; G98-H102 WeakPolarHBondContact O-CB 3.45Å; G98-H102 PolarHBondContact O-N 2.81Å; G98-V218 VanDerWaalsContact CA-O 3.31Å; G98-V218 WeakPolarHBondContact CA-O 3.28Å |
| 99 | V | 95.1 | Very high | 94 | Very high | 6 Ų | 6 | 47.4 Ų | 47.4 | 4% | 0.036 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 179.1 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | D93 T96 P97 G103 V218 W238 | D93-V99 HydrophobicContact CB-CB 4.11Å; D93-V99 HydrophobicContact CB-CG1 3.83Å; T96-V99 HydrophobicContact CG2-CG2 3.85Å; T96-V99 WeakPolarHBondContact O-CG2 3.29Å; T96-V99 PolarHBondContact O-N 3.47Å; P97-V99 VanDerWaalsContact C-N 3.31Å; P97-V99 PolarHBondContact O-N 3.48Å; V99-G103 WeakPolarHBondContact O-CA 3.35Å; V99-G103 PolarHBondContact O-N 3.25Å; V99-V218 HydrophobicContact CG2-CB 4.46Å; V99-V218 HydrophobicContact CG2-CG2 3.68Å; V99-W238 HydrophobicContact CG1-CB 4.25Å; V99-W238 HydrophobicContact CG1-CD2 3.79Å; V99-W238 HydrophobicContact CG1-CE3 4.09Å; V99-W238 HydrophobicContact CG1-CG 3.87Å; V99-W238 HydrophobicContact CG2-CD2 4.2Å; V99-W238 HydrophobicContact CG2-CE3 3.76Å; V99-W238 HydrophobicContact CG2-CH2 3.96Å; V99-W238 HydrophobicContact CG2-CZ2 4.38Å; V99-W238 HydrophobicContact CG2-CZ3 3.63Å |
| 100 | K | 92.8 | Very high | 94.1 | Very high | 158 Ų | 158 | 51.2 Ų | 51.2 | 69% | 0.687 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -71.1 | -34.6 | 179.9 | -65.2 | -171.3 | -174.6 | -178.9 | 0 | 112.2 | D93 G98 | D93-K100 WeakPolarHBondContact OD2-CE 3.47Å; D93-K100 IonicContact OD2-NZ 2.76Å; G98-K100 VanDerWaalsContact C-N 3.32Å; G98-K100 PolarHBondContact O-N 3.5Å |
| 101 | E | 95.6 | Very high | 94.3 | Very high | 132 Ų | 132 | 50.8 Ų | 50.8 | 62% | 0.617 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -82.3 | -37.9 | -174.1 | -63.5 | 73.5 | -162.3 | 0 | 0 | 112.1 | G98 | G98-E101 VanDerWaalsContact C-OE2 3.26Å; G98-E101 WeakPolarHBondContact CA-OE2 3.4Å; G98-E101 PolarHBondContact O-N 3.29Å |
| 102 | H | 97.1 | Very high | 94.6 | Very high | 79 Ų | 79 | 49 Ų | 49 | 37% | 0.366 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -125.5 | -13.4 | -169.3 | -58 | -53.1 | 0 | 0 | 0 | 114.5 | G98 V218 T219 | G98-H102 WeakPolarHBondContact O-CB 3.45Å; G98-H102 PolarHBondContact O-N 2.81Å; H102-V218 HydrophobicContact CB-CG1 3.86Å; H102-T219 WeakPolarHBondContact CB-O 3.49Å |
| 103 | G | 96.2 | Very high | 94.7 | Very high | 9 Ų | 9 | 51.5 Ų | 51.5 | 9% | 0.093 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 153.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | V99 | V99-G103 WeakPolarHBondContact O-CA 3.35Å; V99-G103 PolarHBondContact O-N 3.25Å |
| 104 | F | 97.7 | Very high | 95.1 | Very high | 23 Ų | 23 | 55.5 Ų | 55.5 | 10% | 0.101 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 121.5 | 172 | -64.9 | -93.1 | 0 | 0 | 0 | 109.7 | K114 I115 H118 L236 I237 W238 | F104-K114 HydrophobicContact CD1-CD 4.21Å; F104-K114 HydrophobicContact CD1-CG 4.14Å; F104-K114 HydrophobicContact CE1-CD 4.24Å; F104-K114 HydrophobicContact CE1-CG 3.99Å; F104-I115 HydrophobicContact CB-CD1 4.15Å; F104-I115 HydrophobicContact CB-CG1 3.61Å; F104-I115 HydrophobicContact CD1-CG1 4.06Å; F104-I115 HydrophobicContact CG-CG1 4.1Å; F104-H118 HydrophobicContact CE1-CB 3.65Å; F104-H118 AromaticContact CE1-CG 3.73Å; F104-H118 AromaticContact CE2-CD2 3.48Å; F104-H118 VanDerWaalsContact CE2-CD2 3.48Å; F104-H118 WeakPolarHBondContact CE2-CD2 3.5Å; F104-H118 AromaticContact CE2-CE1 3.85Å; F104-H118 AromaticContact CE2-CG 3.75Å; F104-H118 AromaticContact CE2-NE2 3.54Å; F104-H118 HydrophobicContact CZ-CB 3.65Å; F104-H118 AromaticContact CZ-CD2 3.43Å; F104-H118 VanDerWaalsContact CZ-CD2 3.43Å; F104-H118 WeakPolarHBondContact CZ-CD2 3.27Å; F104-H118 AromaticContact CZ-CE1 3.68Å; F104-H118 AromaticContact CZ-CG 3.16Å; F104-H118 AromaticContact CZ-ND1 3.37Å; F104-H118 WeakPolarHBondContact CZ-ND1 3.47Å; F104-H118 AromaticContact CZ-NE2 3.72Å; F104-L236 PolarHBondContact N-O 3.07Å; F104-I237 HydrophobicContact CB-CG1 4.48Å; F104-I237 CarbonylContact O-C 3.54Å; F104-I237 VanDerWaalsContact O-CA 3.25Å; F104-I237 WeakPolarHBondContact O-CA 3.32Å; F104-W238 PolarHBondContact O-N 3.33Å |
| 105 | T | 96 | Very high | 95.5 | Very high | 39 Ų | 39 | 49.5 Ų | 49.5 | 24% | 0.239 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 161.5 | 170.8 | 52 | 0 | 0 | 0 | 0 | 110.3 | P91 D111 I115 | P91-T105 HydrophobicContact CB-CG2 3.5Å; P91-T105 VanDerWaalsContact CB-CG2 3.5Å; P91-T105 HydrophobicContact CG-CG2 3.57Å; T105-D111 WeakPolarHBondContact CB-OD2 3.35Å; T105-D111 VanDerWaalsContact O-CB 3.28Å; T105-D111 WeakPolarHBondContact O-CB 3.32Å; T105-D111 PolarHBondContact OG1-OD1 3.18Å; T105-D111 PolarHBondContact OG1-OD2 2.86Å; T105-I115 WeakPolarHBondContact O-CD1 3.17Å |
| 106 | L | 95.6 | Very high | 95.9 | Very high | 8 Ų | 8 | 48.8 Ų | 48.8 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | trans | -131.3 | 75.4 | 173.5 | -178 | 63.1 | 0 | 0 | 0 | 109.3 | L27 H28 A31 A112 I115 T149 M153 I237 T239 | L27-L106 HydrophobicContact CB-CD1 4.02Å; L27-L106 HydrophobicContact CB-CG 4.44Å; H28-L106 HydrophobicContact CB-CD2 4.02Å; A31-L106 HydrophobicContact CB-CD1 3.67Å; L106-A112 HydrophobicContact CD1-CB 3.89Å; L106-I115 HydrophobicContact CB-CD1 3.97Å; L106-I115 HydrophobicContact CD1-CD1 3.93Å; L106-I115 HydrophobicContact CG-CD1 4.47Å; L106-T149 HydrophobicContact CB-CG2 4.42Å; L106-T149 HydrophobicContact CD2-CG2 3.81Å; L106-T149 HydrophobicContact CG-CG2 4.2Å; L106-M153 HydrophobicContact CD2-CB 4.13Å; L106-M153 HydrophobicContact CD2-CG 4.12Å; L106-M153 HydrophobicContact CD2-SD 3.64Å; L106-I237 HydrophobicContact CB-CG2 4.39Å; L106-T239 HydrophobicContact CB-CG2 4.47Å | ||
| 107 | W | 92.3 | Very high | 96 | Very high | 53 Ų | 53 | 53.5 Ų | 53.5 | 20% | 0.201 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -133 | -16.2 | -175.7 | -162.4 | -104.2 | 0 | 0 | 0 | 114.2 | G89 P91 D111 V242 | G89-W107 PolarHBondContact O-NE1 2.87Å; P91-W107 HydrophobicContact CG-CB 3.67Å; P91-W107 HydrophobicContact CG-CG 4.09Å; W107-D111 PolarHBondContact N-OD2 3.1Å; W107-V242 HydrophobicContact CD2-CG1 4.35Å; W107-V242 HydrophobicContact CE3-CG1 3.75Å; W107-V242 HydrophobicContact CH2-CB 4.14Å; W107-V242 HydrophobicContact CH2-CG1 3.42Å; W107-V242 VanDerWaalsContact CH2-CG1 3.42Å; W107-V242 HydrophobicContact CZ2-CG1 4.04Å; W107-V242 HydrophobicContact CZ3-CB 4.42Å; W107-V242 HydrophobicContact CZ3-CG1 3.26Å |
| 108 | S | 93.6 | Very high | 96.2 | Very high | 35 Ų | 35 | 51.8 Ų | 51.8 | 25% | 0.245 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -129.4 | 169.4 | 179.9 | 67.9 | 0 | 0 | 0 | 0 | 111.9 | L27 E110 D111 A112 | L27-S108 WeakPolarHBondContact CD2-O 3.05Å; S108-E110 VanDerWaalsContact C-N 3.28Å; S108-E110 WeakPolarHBondContact CB-OE2 3.42Å; S108-D111 PolarHBondContact N-OD2 3.48Å; S108-D111 WeakPolarHBondContact O-CB 3.42Å; S108-D111 PolarHBondContact O-N 2.85Å; S108-D111 WeakPolarHBondContact OG-CB 3.48Å; S108-D111 PolarHBondContact OG-N 2.78Å; S108-D111 PolarHBondContact OG-OD1 3.26Å; S108-A112 PolarHBondContact O-N 2.93Å; S108-A112 VanDerWaalsContact O-N 3.14Å |
| 109 | M | 94.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 171.2 | -72.5 | -59.2 | -57.2 | 0 | 0 | 110.9 | Y20 T22 L27 V30 P37 V40 Q41 D111 A112 I113 | Y20-M109 HydrophobicContact CE2-CG 4.04Å; T22-M109 HydrophobicContact CG2-CG 3.63Å; T22-M109 HydrophobicContact CG2-SD 3.47Å; T22-M109 WeakPolarHBondContact CG2-SD 3.22Å; T22-M109 WeakPolarHBondContact OG1-CG 3.42Å; L27-M109 HydrophobicContact CD2-CG 4.24Å; L27-M109 HydrophobicContact CD2-SD 3.35Å; L27-M109 WeakPolarHBondContact CD2-SD 3.39Å; V30-M109 HydrophobicContact CG2-CE 4.4Å; P37-M109 HydrophobicContact CB-CE 3.56Å; P37-M109 WeakPolarHBondContact O-CE 3.31Å; V40-M109 HydrophobicContact CG2-CE 3.55Å; V40-M109 HydrophobicContact CG2-SD 3.49Å; V40-M109 WeakPolarHBondContact CG2-SD 3.35Å; Q41-M109 HydrophobicContact CG-CE 3.76Å; Q41-M109 HydrophobicContact CG-CG 4.16Å; Q41-M109 HydrophobicContact CG-SD 4.05Å; M109-D111 VanDerWaalsContact C-N 3.32Å; M109-D111 PolarHBondContact O-N 3.47Å; M109-A112 PolarHBondContact O-N 3.12Å; M109-I113 VanDerWaalsContact O-CG1 3.3Å; M109-I113 WeakPolarHBondContact O-CG1 3.26Å; M109-I113 PolarHBondContact O-N 3.22Å |
| 110 | E | 95 | Very high | 96.4 | Very high | 90 Ų | 90 | 54.1 Ų | 54.1 | 42% | 0.421 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 178.4 | -64.7 | 82 | 174.5 | 0 | 0 | 111 | H18 S108 I113 K114 | H18-E110 IonicContact CD2-OE1 2.77Å; H18-E110 IonicContact CE1-OE1 3.03Å; H18-E110 IonicContact NE2-OE1 2.58Å; H18-E110 PolarHBondContact NE2-OE1 3.43Å; S108-E110 VanDerWaalsContact C-N 3.28Å; S108-E110 WeakPolarHBondContact CB-OE2 3.42Å; E110-I113 PolarHBondContact O-N 3.44Å; E110-K114 VanDerWaalsContact O-CB 3.26Å; E110-K114 WeakPolarHBondContact O-CB 3.37Å; E110-K114 PolarHBondContact O-N 3.32Å |
| 111 | D | 95.8 | Very high | 96.7 | Very high | 31 Ų | 31 | 49.9 Ų | 49.9 | 17% | 0.166 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.8 | -50.3 | 173.4 | -79.8 | 1.6 | 0 | 0 | 0 | 111.9 | T105 W107 S108 M109 I113 K114 I115 | T105-D111 WeakPolarHBondContact CB-OD2 3.35Å; T105-D111 VanDerWaalsContact O-CB 3.28Å; T105-D111 WeakPolarHBondContact O-CB 3.32Å; T105-D111 PolarHBondContact OG1-OD1 3.18Å; T105-D111 PolarHBondContact OG1-OD2 2.86Å; W107-D111 PolarHBondContact N-OD2 3.1Å; S108-D111 PolarHBondContact N-OD2 3.48Å; S108-D111 WeakPolarHBondContact O-CB 3.42Å; S108-D111 PolarHBondContact O-N 2.85Å; S108-D111 WeakPolarHBondContact OG-CB 3.48Å; S108-D111 PolarHBondContact OG-N 2.78Å; S108-D111 PolarHBondContact OG-OD1 3.26Å; M109-D111 VanDerWaalsContact C-N 3.32Å; M109-D111 PolarHBondContact O-N 3.47Å; D111-I113 VanDerWaalsContact C-N 3.34Å; D111-I113 PolarHBondContact O-N 3.27Å; D111-K114 WeakPolarHBondContact O-CB 3.42Å; D111-K114 PolarHBondContact O-N 3.5Å; D111-I115 WeakPolarHBondContact O-CG1 3.45Å; D111-I115 PolarHBondContact O-N 3.26Å |
| 112 | A | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.6 | -43.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L27 V30 A31 L106 S108 M109 I115 R116 | L27-A112 HydrophobicContact CD2-CB 4.04Å; V30-A112 HydrophobicContact CB-CB 4.05Å; V30-A112 HydrophobicContact CG1-CB 4Å; A31-A112 WeakPolarHBondContact CA-O 3.4Å; A31-A112 HydrophobicContact CB-CB 3.99Å; L106-A112 HydrophobicContact CD1-CB 3.89Å; S108-A112 PolarHBondContact O-N 2.93Å; S108-A112 VanDerWaalsContact O-N 3.14Å; M109-A112 PolarHBondContact O-N 3.12Å; A112-I115 PolarHBondContact O-N 3.46Å; A112-R116 PolarHBondContact O-N 3.36Å |
| 113 | I | 97.4 | Very high | 96.8 | Very high | 78 Ų | 78 | 40.2 Ų | 40.2 | 40% | 0.4 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 175.7 | -67.8 | 165.9 | 0 | 0 | 0 | 110.8 | V30 P37 M109 E110 D111 R116 K117 | V30-I113 HydrophobicContact CG1-CG1 4.48Å; P37-I113 HydrophobicContact CB-CD1 4.33Å; P37-I113 HydrophobicContact CG-CD1 4Å; P37-I113 HydrophobicContact CG-CG1 3.97Å; M109-I113 VanDerWaalsContact O-CG1 3.3Å; M109-I113 WeakPolarHBondContact O-CG1 3.26Å; M109-I113 PolarHBondContact O-N 3.22Å; E110-I113 PolarHBondContact O-N 3.44Å; D111-I113 VanDerWaalsContact C-N 3.34Å; D111-I113 PolarHBondContact O-N 3.27Å; I113-R116 PolarHBondContact O-N 3.05Å; I113-K117 WeakPolarHBondContact O-CB 3.42Å; I113-K117 PolarHBondContact O-N 3.16Å |
| 114 | K | 97.9 | Very high | 96.8 | Very high | 119 Ų | 119 | 41.6 Ų | 41.6 | 52% | 0.517 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.6 | -44.7 | 178.2 | -171.8 | -174.2 | 178 | -172 | 0 | 111.5 | F104 E110 D111 H118 | F104-K114 HydrophobicContact CD1-CD 4.21Å; F104-K114 HydrophobicContact CD1-CG 4.14Å; F104-K114 HydrophobicContact CE1-CD 4.24Å; F104-K114 HydrophobicContact CE1-CG 3.99Å; E110-K114 VanDerWaalsContact O-CB 3.26Å; E110-K114 WeakPolarHBondContact O-CB 3.37Å; E110-K114 PolarHBondContact O-N 3.32Å; D111-K114 WeakPolarHBondContact O-CB 3.42Å; D111-K114 PolarHBondContact O-N 3.5Å; K114-H118 VanDerWaalsContact O-CB 3.29Å; K114-H118 WeakPolarHBondContact O-CB 3.46Å; K114-H118 PolarHBondContact O-N 3.11Å |
| 115 | I | 98.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.4 | -51.5 | 175.1 | -73.3 | 163.5 | 0 | 0 | 0 | 110.7 | A31 F104 T105 L106 D111 A112 K117 H118 I119 M153 I237 | A31-I115 HydrophobicContact CB-CB 4.17Å; A31-I115 HydrophobicContact CB-CD1 4.37Å; A31-I115 HydrophobicContact CB-CG2 3.99Å; F104-I115 HydrophobicContact CB-CD1 4.15Å; F104-I115 HydrophobicContact CB-CG1 3.61Å; F104-I115 HydrophobicContact CD1-CG1 4.06Å; F104-I115 HydrophobicContact CG-CG1 4.1Å; T105-I115 WeakPolarHBondContact O-CD1 3.17Å; L106-I115 HydrophobicContact CB-CD1 3.97Å; L106-I115 HydrophobicContact CD1-CD1 3.93Å; L106-I115 HydrophobicContact CG-CD1 4.47Å; D111-I115 WeakPolarHBondContact O-CG1 3.45Å; D111-I115 PolarHBondContact O-N 3.26Å; A112-I115 PolarHBondContact O-N 3.46Å; I115-K117 PolarHBondContact O-N 2.81Å; I115-H118 PolarHBondContact O-N 2.93Å; I115-I119 HydrophobicContact CG2-CD1 3.67Å; I115-I119 HydrophobicContact CG2-CG1 4.47Å; I115-I119 WeakPolarHBondContact O-CG1 3.4Å; I115-I119 PolarHBondContact O-N 2.98Å; I115-M153 HydrophobicContact CG2-CE 4.41Å; I115-I237 HydrophobicContact CD1-CD1 4.5Å; I115-I237 HydrophobicContact CD1-CG1 4.5Å; I115-I237 HydrophobicContact CD1-CG2 3.97Å; I115-I237 HydrophobicContact CG2-CD1 3.86Å |
| 116 | R | 98.1 | Very high | 96.7 | Very high | 45 Ų | 45 | 44.9 Ų | 44.9 | 17% | 0.17 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.2 | -51.5 | -178.9 | 177.2 | 178.2 | 174.3 | -179.2 | -5.9 | 111 | E36 A112 I113 H118 I119 E120 W160 | E36-R116 IonicContact OE1-NH1 2.88Å; E36-R116 IonicContact OE1-NH2 3.7Å; E36-R116 PolarHBondContact OE1-NH2 2.9Å; E36-R116 IonicContact OE2-CZ 2.77Å; E36-R116 IonicContact OE2-NH1 2.98Å; E36-R116 PolarHBondContact OE2-NH1 3.13Å; E36-R116 IonicContact OE2-NH2 3.33Å; E36-R116 PolarHBondContact OE2-NH2 3.17Å; A112-R116 PolarHBondContact O-N 3.36Å; I113-R116 PolarHBondContact O-N 3.05Å; R116-H118 PolarHBondContact O-N 3.23Å; R116-I119 PolarHBondContact O-N 2.66Å; R116-E120 IonicContact CZ-OE1 3.9Å; R116-E120 IonicContact NE-OE1 3.5Å; R116-E120 PolarHBondContact NE-OE1 3.37Å; R116-E120 VanDerWaalsContact NE-OE1 3.09Å; R116-E120 IonicContact NH2-OE1 2.66Å; R116-E120 WeakPolarHBondContact O-CG 3.21Å; R116-E120 PolarHBondContact O-N 3.32Å; R116-W160 HydrophobicContact CB-CH2 4.35Å; R116-W160 HydrophobicContact CG-CH2 3.81Å; R116-W160 HydrophobicContact CG-CZ2 4.28Å |
| 117 | K | 98.2 | Very high | 96.4 | Very high | 121 Ų | 121 | 46 Ų | 46 | 53% | 0.526 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.4 | -46.4 | 178.9 | -176 | -176.4 | 172.3 | 67.2 | 0 | 111.7 | I113 I115 I119 E120 D121 | I113-K117 WeakPolarHBondContact O-CB 3.42Å; I113-K117 PolarHBondContact O-N 3.16Å; I115-K117 PolarHBondContact O-N 2.81Å; K117-I119 VanDerWaalsContact C-N 3.33Å; K117-I119 PolarHBondContact O-N 2.86Å; K117-E120 PolarHBondContact O-N 2.64Å; K117-D121 IonicContact NZ-OD2 2.62Å; K117-D121 WeakPolarHBondContact O-CB 3.46Å; K117-D121 VanDerWaalsContact O-CG 3.29Å; K117-D121 PolarHBondContact O-N 3.49Å |
| 118 | H | 98.4 | Very high | 96.4 | Very high | 42 Ų | 42 | 50.6 Ų | 50.6 | 19% | 0.194 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 179.1 | 173.3 | 73 | 0 | 0 | 0 | 112.3 | F104 K114 I115 R116 T122 N234 T235 | F104-H118 HydrophobicContact CE1-CB 3.65Å; F104-H118 AromaticContact CE1-CG 3.73Å; F104-H118 AromaticContact CE2-CD2 3.48Å; F104-H118 VanDerWaalsContact CE2-CD2 3.48Å; F104-H118 WeakPolarHBondContact CE2-CD2 3.5Å; F104-H118 AromaticContact CE2-CE1 3.85Å; F104-H118 AromaticContact CE2-CG 3.75Å; F104-H118 AromaticContact CE2-NE2 3.54Å; F104-H118 HydrophobicContact CZ-CB 3.65Å; F104-H118 AromaticContact CZ-CD2 3.43Å; F104-H118 VanDerWaalsContact CZ-CD2 3.43Å; F104-H118 WeakPolarHBondContact CZ-CD2 3.27Å; F104-H118 AromaticContact CZ-CE1 3.68Å; F104-H118 AromaticContact CZ-CG 3.16Å; F104-H118 AromaticContact CZ-ND1 3.37Å; F104-H118 WeakPolarHBondContact CZ-ND1 3.47Å; F104-H118 AromaticContact CZ-NE2 3.72Å; K114-H118 VanDerWaalsContact O-CB 3.29Å; K114-H118 WeakPolarHBondContact O-CB 3.46Å; K114-H118 PolarHBondContact O-N 3.11Å; I115-H118 PolarHBondContact O-N 2.93Å; R116-H118 PolarHBondContact O-N 3.23Å; H118-T122 PolarHBondContact CE1-OG1 3.05Å; H118-T122 VanDerWaalsContact CE1-OG1 3.24Å; H118-T122 PolarHBondContact NE2-OG1 3.47Å; H118-T122 WeakPolarHBondContact O-CB 3.45Å; H118-T122 PolarHBondContact O-N 3.42Å; H118-T122 PolarHBondContact O-OG1 2.9Å; H118-N234 PolarHBondContact CE1-O 3.47Å; H118-N234 VanDerWaalsContact CE1-O 3.3Å; H118-N234 PolarHBondContact NE2-O 2.83Å; H118-T235 PolarHBondContact CD2-OG1 3.26Å; H118-T235 PolarHBondContact NE2-OG1 2.77Å |
| 119 | I | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.4 | -47.7 | 178.5 | -71.3 | 168.8 | 0 | 0 | 0 | 110.7 | I115 R116 K117 D121 T122 V123 F141 L157 W160 L164 T235 | I115-I119 HydrophobicContact CG2-CD1 3.67Å; I115-I119 HydrophobicContact CG2-CG1 4.47Å; I115-I119 WeakPolarHBondContact O-CG1 3.4Å; I115-I119 PolarHBondContact O-N 2.98Å; R116-I119 PolarHBondContact O-N 2.66Å; K117-I119 VanDerWaalsContact C-N 3.33Å; K117-I119 PolarHBondContact O-N 2.86Å; I119-D121 PolarHBondContact O-N 3.34Å; I119-T122 PolarHBondContact O-N 3.15Å; I119-V123 HydrophobicContact CG2-CG2 4.32Å; I119-V123 WeakPolarHBondContact O-CB 3.29Å; I119-V123 VanDerWaalsContact O-CG2 3.25Å; I119-V123 WeakPolarHBondContact O-CG2 3.35Å; I119-V123 PolarHBondContact O-N 3.5Å; I119-F141 HydrophobicContact CG2-CE2 4.05Å; I119-F141 HydrophobicContact CG2-CZ 3.88Å; I119-L157 HydrophobicContact CD1-CD2 3.6Å; I119-W160 HydrophobicContact CB-CH2 3.94Å; I119-W160 HydrophobicContact CB-CZ3 3.8Å; I119-W160 HydrophobicContact CD1-CE3 4.42Å; I119-W160 HydrophobicContact CD1-CZ3 3.75Å; I119-W160 HydrophobicContact CG1-CZ3 4.38Å; I119-W160 HydrophobicContact CG2-CE3 4.07Å; I119-W160 HydrophobicContact CG2-CH2 3.75Å; I119-W160 HydrophobicContact CG2-CZ3 3.51Å; I119-L164 HydrophobicContact CG2-CD1 3.7Å; I119-T235 HydrophobicContact CG1-CG2 4.26Å |
| 120 | E | 97.9 | Very high | 95.9 | Very high | 71 Ų | 71 | 56.8 Ų | 56.8 | 33% | 0.332 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.9 | -49.1 | 176.7 | -71.3 | 170.5 | 174.6 | 0 | 0 | 111.1 | R116 K117 A124 W160 | R116-E120 IonicContact CZ-OE1 3.9Å; R116-E120 IonicContact NE-OE1 3.5Å; R116-E120 PolarHBondContact NE-OE1 3.37Å; R116-E120 VanDerWaalsContact NE-OE1 3.09Å; R116-E120 IonicContact NH2-OE1 2.66Å; R116-E120 WeakPolarHBondContact O-CG 3.21Å; R116-E120 PolarHBondContact O-N 3.32Å; K117-E120 PolarHBondContact O-N 2.64Å; E120-A124 WeakPolarHBondContact O-CB 3.41Å; E120-A124 PolarHBondContact O-N 3.47Å; E120-W160 HydrophobicContact CG-CH2 4.04Å; E120-W160 HydrophobicContact CG-CZ2 3.8Å |
| 121 | D | 98.3 | Very high | 95.6 | Very high | 70 Ų | 70 | 56 Ų | 56 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 178.8 | -71.4 | -19.8 | 0 | 0 | 0 | 112 | K117 I119 A124 K125 | K117-D121 IonicContact NZ-OD2 2.62Å; K117-D121 WeakPolarHBondContact O-CB 3.46Å; K117-D121 VanDerWaalsContact O-CG 3.29Å; K117-D121 PolarHBondContact O-N 3.49Å; I119-D121 PolarHBondContact O-N 3.34Å; D121-A124 PolarHBondContact O-N 3Å; D121-K125 VanDerWaalsContact O-CG 3.3Å; D121-K125 WeakPolarHBondContact O-CG 3.42Å; D121-K125 PolarHBondContact O-N 3.34Å; D121-K125 VanDerWaalsContact O-N 3.08Å |
| 122 | T | 97.9 | Very high | 95.2 | Very high | 8 Ų | 8 | 61.9 Ų | 61.9 | 5% | 0.049 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.3 | -43.5 | -180 | -62.7 | 0 | 0 | 0 | 0 | 111.4 | H118 I119 K125 A126 M138 N234 | H118-T122 PolarHBondContact CE1-OG1 3.05Å; H118-T122 VanDerWaalsContact CE1-OG1 3.24Å; H118-T122 PolarHBondContact NE2-OG1 3.47Å; H118-T122 WeakPolarHBondContact O-CB 3.45Å; H118-T122 PolarHBondContact O-N 3.42Å; H118-T122 PolarHBondContact O-OG1 2.9Å; I119-T122 PolarHBondContact O-N 3.15Å; T122-K125 PolarHBondContact O-N 3.39Å; T122-A126 WeakPolarHBondContact O-CB 3.37Å; T122-A126 PolarHBondContact O-N 2.92Å; T122-M138 HydrophobicContact CG2-CB 3.89Å; T122-M138 HydrophobicContact CG2-CE 4.41Å; T122-M138 HydrophobicContact CG2-CG 4.5Å; T122-M138 VanDerWaalsContact CG2-O 3.29Å; T122-M138 WeakPolarHBondContact CG2-O 3.46Å; T122-N234 HydrophobicContact CG2-CB 4.45Å |
| 123 | V | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.2 | -40.5 | 176.7 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | I119 K125 A126 A127 L139 F141 L164 H168 L170 F175 | I119-V123 HydrophobicContact CG2-CG2 4.32Å; I119-V123 WeakPolarHBondContact O-CB 3.29Å; I119-V123 VanDerWaalsContact O-CG2 3.25Å; I119-V123 WeakPolarHBondContact O-CG2 3.35Å; I119-V123 PolarHBondContact O-N 3.5Å; V123-K125 VanDerWaalsContact C-N 3.32Å; V123-K125 PolarHBondContact O-N 3.42Å; V123-A126 PolarHBondContact O-N 3.19Å; V123-A127 PolarHBondContact O-N 3.17Å; V123-L139 HydrophobicContact CB-CD2 4.5Å; V123-L139 HydrophobicContact CG1-CD2 4.4Å; V123-L139 HydrophobicContact CG2-CD2 4.02Å; V123-F141 HydrophobicContact CG2-CZ 3.81Å; V123-L164 HydrophobicContact CG1-CB 4.27Å; V123-L164 HydrophobicContact CG2-CD1 4.26Å; V123-L164 HydrophobicContact CG2-CD2 4.47Å; V123-H168 HydrophobicContact CG1-CB 3.99Å; V123-L170 HydrophobicContact CG1-CD1 3.89Å; V123-F175 HydrophobicContact CG1-CE1 4.41Å; V123-F175 HydrophobicContact CG1-CZ 4.01Å; V123-F175 HydrophobicContact CG2-CE1 3.77Å; V123-F175 HydrophobicContact CG2-CZ 4.22Å |
| 124 | A | 96.2 | Very high | 94.7 | Very high | 37 Ų | 37 | 64.4 Ų | 64.4 | 31% | 0.306 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.9 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E120 D121 | E120-A124 WeakPolarHBondContact O-CB 3.41Å; E120-A124 PolarHBondContact O-N 3.47Å; D121-A124 PolarHBondContact O-N 3Å |
| 125 | K | 96.3 | Very high | 94.5 | Very high | 132 Ų | 132 | 61.8 Ų | 61.8 | 57% | 0.574 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -68.3 | -42.8 | 175.3 | -67.2 | 168.9 | -175.7 | 173.7 | 0 | 111.8 | D121 T122 V123 A127 L128 E129 M138 | D121-K125 VanDerWaalsContact O-CG 3.3Å; D121-K125 WeakPolarHBondContact O-CG 3.42Å; D121-K125 PolarHBondContact O-N 3.34Å; D121-K125 VanDerWaalsContact O-N 3.08Å; T122-K125 PolarHBondContact O-N 3.39Å; V123-K125 VanDerWaalsContact C-N 3.32Å; V123-K125 PolarHBondContact O-N 3.42Å; K125-A127 PolarHBondContact O-N 3.14Å; K125-L128 WeakPolarHBondContact O-CA 3.39Å; K125-L128 PolarHBondContact O-N 3.17Å; K125-E129 PolarHBondContact O-N 2.95Å; K125-E129 VanDerWaalsContact O-N 3.12Å; K125-M138 HydrophobicContact CB-CE 3.38Å; K125-M138 HydrophobicContact CD-CE 4.49Å |
| 126 | A | 94.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.4 | -34.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T122 V123 L128 E129 R135 M138 L139 | T122-A126 WeakPolarHBondContact O-CB 3.37Å; T122-A126 PolarHBondContact O-N 2.92Å; V123-A126 PolarHBondContact O-N 3.19Å; A126-L128 PolarHBondContact O-N 2.85Å; A126-E129 PolarHBondContact O-N 3.44Å; A126-R135 HydrophobicContact CB-CG 4.2Å; A126-R135 WeakPolarHBondContact O-CG 3.49Å; A126-R135 PolarHBondContact O-NE 3.43Å; A126-M138 HydrophobicContact CB-CB 3.85Å; A126-M138 HydrophobicContact CB-CE 4.14Å; A126-M138 HydrophobicContact CB-SD 4.19Å; A126-L139 HydrophobicContact CB-CD1 4.35Å; A126-L139 HydrophobicContact CB-CD2 3.65Å; A126-L139 HydrophobicContact CB-CG 3.79Å |
| 127 | A | 90.5 | Very high | 94.3 | Very high | 31 Ų | 31 | 65.5 Ų | 65.5 | 26% | 0.256 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V123 K125 H168 L170 | V123-A127 PolarHBondContact O-N 3.17Å; K125-A127 PolarHBondContact O-N 3.14Å; A127-H168 HydrophobicContact CB-CB 4.03Å; A127-L170 HydrophobicContact CB-CD1 4.19Å; A127-L170 HydrophobicContact CB-CD2 4.44Å; A127-L170 HydrophobicContact CB-CG 4.24Å |
| 128 | L | 91.8 | Very high | 94.3 | Very high | 150 Ų | 150 | 60.7 Ų | 60.7 | 79% | 0.785 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -9.6 | 178.4 | -57.7 | 176.3 | 0 | 0 | 0 | 113 | K125 A126 P130 | K125-L128 WeakPolarHBondContact O-CA 3.39Å; K125-L128 PolarHBondContact O-N 3.17Å; A126-L128 PolarHBondContact O-N 2.85Å; L128-P130 VanDerWaalsContact O-CD 3.26Å; L128-P130 WeakPolarHBondContact O-CD 3.46Å |
| 129 | E | 89.9 | Confident | 94.2 | Very high | 52 Ų | 52 | 58.7 Ų | 58.7 | 24% | 0.243 | 31% | 0.314 | C | S | . | . | trans | -76.8 | 113 | -174 | 178 | 49 | -113.4 | 0 | 0 | 111.3 | K125 A126 D131 T134 R135 M138 | K125-E129 PolarHBondContact O-N 2.95Å; K125-E129 VanDerWaalsContact O-N 3.12Å; A126-E129 PolarHBondContact O-N 3.44Å; E129-D131 WeakPolarHBondContact OE1-CB 3.28Å; E129-D131 PolarHBondContact OE1-N 3.42Å; E129-T134 HydrophobicContact CG-CG2 3.95Å; E129-R135 HydrophobicContact CB-CB 4.18Å; E129-R135 HydrophobicContact CG-CB 4.03Å; E129-R135 PolarHBondContact O-NE 3.34Å; E129-R135 PolarHBondContact O-NH2 3.06Å; E129-M138 HydrophobicContact CB-SD 4.27Å; E129-M138 HydrophobicContact CG-SD 4.27Å | ||
| 130 | P | 87 | Confident | 94.2 | Very high | 115 Ų | 115 | 59.1 Ų | 59.1 | 75% | 0.747 | 32% | 0.317 | S | S | * | . | trans | -69.5 | -29.1 | 179.7 | 28.1 | -37.1 | 0 | 0 | 0 | 114.3 | L128 | L128-P130 VanDerWaalsContact O-CD 3.26Å; L128-P130 WeakPolarHBondContact O-CD 3.46Å | ||
| 131 | D | 89.6 | Confident | 94.3 | Very high | 74 Ų | 74 | 55.9 Ų | 55.9 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | trans | -77.7 | 123.2 | -179.5 | 177.8 | 53.1 | 0 | 0 | 0 | 111.8 | E129 A133 T134 R135 | E129-D131 WeakPolarHBondContact OE1-CB 3.28Å; E129-D131 PolarHBondContact OE1-N 3.42Å; D131-A133 PolarHBondContact O-N 3.25Å; D131-A133 PolarHBondContact OD2-N 2.89Å; D131-T134 VanDerWaalsContact OD2-CB 3.23Å; D131-T134 WeakPolarHBondContact OD2-CB 3.46Å; D131-T134 PolarHBondContact OD2-N 3.32Å; D131-T134 PolarHBondContact OD2-OG1 2.85Å; D131-R135 WeakPolarHBondContact O-CB 3.24Å; D131-R135 PolarHBondContact O-N 3Å | ||
| 132 | E | 87.3 | Confident | 94.3 | Very high | 153 Ų | 153 | 52.5 Ų | 52.5 | 72% | 0.715 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -67.1 | -36.9 | -175.7 | -175.6 | 172.1 | -175.4 | 0 | 0 | 112 | R136 | E132-R136 WeakPolarHBondContact O-CB 3.34Å; E132-R136 PolarHBondContact O-N 3.5Å |
| 133 | A | 91 | Very high | 94.3 | Very high | 70 Ų | 70 | 52.1 Ų | 52.1 | 58% | 0.579 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -69.1 | -47.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | D131 R136 A137 | D131-A133 PolarHBondContact O-N 3.25Å; D131-A133 PolarHBondContact OD2-N 2.89Å; A133-R136 WeakPolarHBondContact O-CB 3.41Å; A133-R136 PolarHBondContact O-N 3.34Å; A133-A137 PolarHBondContact O-N 3.2Å |
| 134 | T | 93.4 | Very high | 94.3 | Very high | 62 Ų | 62 | 52.6 Ų | 52.6 | 38% | 0.38 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.9 | -48.2 | 175.4 | -56.3 | 0 | 0 | 0 | 0 | 110.5 | E129 D131 R136 A137 M138 | E129-T134 HydrophobicContact CG-CG2 3.95Å; D131-T134 VanDerWaalsContact OD2-CB 3.23Å; D131-T134 WeakPolarHBondContact OD2-CB 3.46Å; D131-T134 PolarHBondContact OD2-N 3.32Å; D131-T134 PolarHBondContact OD2-OG1 2.85Å; T134-R136 VanDerWaalsContact C-N 3.28Å; T134-R136 PolarHBondContact O-N 3.16Å; T134-A137 WeakPolarHBondContact O-CB 3.49Å; T134-A137 PolarHBondContact O-N 3.22Å; T134-A137 VanDerWaalsContact O-N 3.14Å; T134-M138 HydrophobicContact CG2-SD 4.14Å; T134-M138 VanDerWaalsContact O-CG 3.27Å; T134-M138 WeakPolarHBondContact O-CG 3.37Å; T134-M138 PolarHBondContact O-N 3.17Å |
| 135 | R | 93.3 | Very high | 94.3 | Very high | 63 Ų | 63 | 51 Ų | 51 | 24% | 0.238 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.5 | -43.3 | 175.1 | -174.9 | -171.9 | -59.8 | -178.3 | 0.9 | 111.6 | A126 E129 D131 M138 L139 E174 | A126-R135 HydrophobicContact CB-CG 4.2Å; A126-R135 WeakPolarHBondContact O-CG 3.49Å; A126-R135 PolarHBondContact O-NE 3.43Å; E129-R135 HydrophobicContact CB-CB 4.18Å; E129-R135 HydrophobicContact CG-CB 4.03Å; E129-R135 PolarHBondContact O-NE 3.34Å; E129-R135 PolarHBondContact O-NH2 3.06Å; D131-R135 WeakPolarHBondContact O-CB 3.24Å; D131-R135 PolarHBondContact O-N 3Å; R135-M138 PolarHBondContact O-N 3.35Å; R135-L139 HydrophobicContact CG-CD1 3.98Å; R135-L139 HydrophobicContact CG-CG 4.49Å; R135-L139 WeakPolarHBondContact O-CG 3.17Å; R135-L139 PolarHBondContact O-N 3.12Å; R135-E174 WeakPolarHBondContact CD-OE2 3.47Å; R135-E174 IonicContact NH1-OE2 3.41Å |
| 136 | R | 95.3 | Very high | 94.2 | Very high | 113 Ų | 113 | 44.9 Ų | 44.9 | 43% | 0.426 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.2 | -40 | 178.6 | -177.6 | 61.4 | 165.2 | -158.9 | -8.5 | 111.8 | E132 A133 T134 L139 T140 E173 E174 T176 | E132-R136 WeakPolarHBondContact O-CB 3.34Å; E132-R136 PolarHBondContact O-N 3.5Å; A133-R136 WeakPolarHBondContact O-CB 3.41Å; A133-R136 PolarHBondContact O-N 3.34Å; T134-R136 VanDerWaalsContact C-N 3.28Å; T134-R136 PolarHBondContact O-N 3.16Å; R136-L139 CarbonylContact O-C 3.56Å; R136-L139 PolarHBondContact O-N 2.93Å; R136-T140 WeakPolarHBondContact O-CB 3.43Å; R136-T140 PolarHBondContact O-N 2.89Å; R136-T140 VanDerWaalsContact O-N 3.1Å; R136-T140 PolarHBondContact O-OG1 3.03Å; R136-E173 PolarHBondContact NH1-O 3.16Å; R136-E173 VanDerWaalsContact NH1-O 3.12Å; R136-E174 PolarHBondContact NH1-O 2.98Å; R136-T176 PolarHBondContact NE-OG1 3.45Å; R136-T176 PolarHBondContact NH2-OG1 3.05Å |
| 137 | A | 97 | Very high | 94.1 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63 | -43.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A133 T134 L139 T140 P232 T233 N234 | A133-A137 PolarHBondContact O-N 3.2Å; T134-A137 WeakPolarHBondContact O-CB 3.49Å; T134-A137 PolarHBondContact O-N 3.22Å; T134-A137 VanDerWaalsContact O-N 3.14Å; A137-L139 VanDerWaalsContact C-N 3.33Å; A137-L139 PolarHBondContact O-N 2.94Å; A137-T140 PolarHBondContact O-N 3.28Å; A137-T140 VanDerWaalsContact O-N 3.15Å; A137-P232 HydrophobicContact CB-CB 3.73Å; A137-T233 WeakPolarHBondContact O-CA 3.47Å; A137-N234 PolarHBondContact O-N 3.06Å |
| 138 | M | 98.1 | Very high | 94.3 | Very high | 20 Ų | 20 | 47.1 Ų | 47.1 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.8 | -36.1 | 177.5 | -64.5 | 170.8 | 80.5 | 0 | 0 | 113 | T122 K125 A126 E129 T134 R135 T140 F141 N234 | T122-M138 HydrophobicContact CG2-CB 3.89Å; T122-M138 HydrophobicContact CG2-CE 4.41Å; T122-M138 HydrophobicContact CG2-CG 4.5Å; T122-M138 VanDerWaalsContact CG2-O 3.29Å; T122-M138 WeakPolarHBondContact CG2-O 3.46Å; K125-M138 HydrophobicContact CB-CE 3.38Å; K125-M138 HydrophobicContact CD-CE 4.49Å; A126-M138 HydrophobicContact CB-CB 3.85Å; A126-M138 HydrophobicContact CB-CE 4.14Å; A126-M138 HydrophobicContact CB-SD 4.19Å; E129-M138 HydrophobicContact CB-SD 4.27Å; E129-M138 HydrophobicContact CG-SD 4.27Å; T134-M138 HydrophobicContact CG2-SD 4.14Å; T134-M138 VanDerWaalsContact O-CG 3.27Å; T134-M138 WeakPolarHBondContact O-CG 3.37Å; T134-M138 PolarHBondContact O-N 3.17Å; R135-M138 PolarHBondContact O-N 3.35Å; M138-T140 VanDerWaalsContact C-N 3.31Å; M138-F141 WeakPolarHBondContact O-CE1 3.49Å; M138-N234 WeakPolarHBondContact CA-OD1 3.42Å; M138-N234 WeakPolarHBondContact CG-OD1 3.36Å; M138-N234 PolarHBondContact N-OD1 3.32Å |
| 139 | L | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 7.9 | 177.9 | -61.1 | 178.1 | 0 | 0 | 0 | 113.4 | V123 A126 R135 R136 A137 L170 E174 F175 T176 | V123-L139 HydrophobicContact CB-CD2 4.5Å; V123-L139 HydrophobicContact CG1-CD2 4.4Å; V123-L139 HydrophobicContact CG2-CD2 4.02Å; A126-L139 HydrophobicContact CB-CD1 4.35Å; A126-L139 HydrophobicContact CB-CD2 3.65Å; A126-L139 HydrophobicContact CB-CG 3.79Å; R135-L139 HydrophobicContact CG-CD1 3.98Å; R135-L139 HydrophobicContact CG-CG 4.49Å; R135-L139 WeakPolarHBondContact O-CG 3.17Å; R135-L139 PolarHBondContact O-N 3.12Å; R136-L139 CarbonylContact O-C 3.56Å; R136-L139 PolarHBondContact O-N 2.93Å; A137-L139 VanDerWaalsContact C-N 3.33Å; A137-L139 PolarHBondContact O-N 2.94Å; L139-L170 HydrophobicContact CD1-CD1 4.01Å; L139-L170 HydrophobicContact CD1-CD2 4.41Å; L139-L170 HydrophobicContact CD2-CD1 4.03Å; L139-E174 HydrophobicContact CD1-CB 3.77Å; L139-F175 HydrophobicContact CB-CD1 4.44Å; L139-F175 HydrophobicContact CD2-CD1 4.14Å; L139-F175 HydrophobicContact CD2-CE1 3.69Å; L139-F175 HydrophobicContact CD2-CE2 4.37Å; L139-F175 HydrophobicContact CD2-CZ 3.81Å; L139-F175 WeakPolarHBondContact O-CA 3.19Å; L139-T176 PolarHBondContact O-N 3.49Å |
| 140 | T | 98.5 | Very high | 94.7 | Very high | 10 Ų | 10 | 39.9 Ų | 39.9 | 6% | 0.061 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 115 | 171.5 | -63.5 | 0 | 0 | 0 | 0 | 108.7 | R136 A137 M138 V142 T176 I231 T233 | R136-T140 WeakPolarHBondContact O-CB 3.43Å; R136-T140 PolarHBondContact O-N 2.89Å; R136-T140 VanDerWaalsContact O-N 3.1Å; R136-T140 PolarHBondContact O-OG1 3.03Å; A137-T140 PolarHBondContact O-N 3.28Å; A137-T140 VanDerWaalsContact O-N 3.15Å; M138-T140 VanDerWaalsContact C-N 3.31Å; T140-V142 HydrophobicContact CG2-CG2 4.13Å; T140-T176 CarbonylContact C-O 3.1Å; T140-T176 WeakPolarHBondContact CA-O 3.29Å; T140-T176 HydrophobicContact CG2-CG2 4.15Å; T140-I231 HydrophobicContact CG2-CG2 4.48Å; T140-T233 PolarHBondContact O-OG1 3.38Å |
| 141 | F | 98.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 121.4 | 177.4 | -53.1 | -29.7 | 0 | 0 | 0 | 109.4 | I119 V123 M138 L157 F175 T176 L177 M178 T235 | I119-F141 HydrophobicContact CG2-CE2 4.05Å; I119-F141 HydrophobicContact CG2-CZ 3.88Å; V123-F141 HydrophobicContact CG2-CZ 3.81Å; M138-F141 WeakPolarHBondContact O-CE1 3.49Å; F141-L157 HydrophobicContact CB-CD1 3.96Å; F141-L157 HydrophobicContact CD2-CD1 4.29Å; F141-L157 HydrophobicContact CD2-CD2 4.33Å; F141-F175 AromaticContact CE2-CD1 3.86Å; F141-F175 HydrophobicContact CE2-CD1 3.86Å; F141-F175 HydrophobicContact CE2-CE1 4.1Å; F141-F175 HydrophobicContact CZ-CD1 4.1Å; F141-F175 HydrophobicContact CZ-CE1 4.08Å; F141-T176 PolarHBondContact N-O 3.26Å; F141-L177 HydrophobicContact CB-CD2 3.94Å; F141-L177 HydrophobicContact CD2-CD2 3.69Å; F141-L177 HydrophobicContact CG-CD2 4.23Å; F141-M178 PolarHBondContact O-N 2.87Å; F141-T235 HydrophobicContact CD1-CG2 4.11Å |
| 142 | V | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129.1 | -178 | -174.6 | 0 | 0 | 0 | 0 | 109.4 | T140 M178 V180 I223 I231 T233 T235 L236 I237 | T140-V142 HydrophobicContact CG2-CG2 4.13Å; V142-M178 CarbonylContact C-O 3.5Å; V142-M178 WeakPolarHBondContact CA-O 3.15Å; V142-M178 HydrophobicContact CG2-CB 4.38Å; V142-V180 HydrophobicContact CG1-CB 4.35Å; V142-V180 HydrophobicContact CG1-CG2 3.61Å; V142-I223 HydrophobicContact CG1-CD1 3.85Å; V142-I231 HydrophobicContact CG2-CG2 4.12Å; V142-T233 HydrophobicContact CB-CG2 4.39Å; V142-T233 HydrophobicContact CG2-CG2 3.7Å; V142-T235 PolarHBondContact N-O 3.29Å; V142-L236 HydrophobicContact CB-CD1 3.96Å; V142-L236 HydrophobicContact CG1-CD1 3.73Å; V142-L236 CarbonylContact O-C 3.49Å; V142-L236 WeakPolarHBondContact O-CA 3.41Å; V142-I237 PolarHBondContact O-N 3.32Å |
| 143 | V | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 119.5 | 170 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | M153 I154 L157 M178 V179 V180 I237 T239 | V143-M153 HydrophobicContact CG2-CG 4.32Å; V143-I154 HydrophobicContact CB-CD1 4.31Å; V143-I154 HydrophobicContact CG2-CB 4.26Å; V143-I154 HydrophobicContact CG2-CD1 3.68Å; V143-L157 HydrophobicContact CG2-CD1 4.23Å; V143-M178 PolarHBondContact N-O 2.94Å; V143-V179 CarbonylContact O-C 3.55Å; V143-V179 WeakPolarHBondContact O-CA 3.3Å; V143-V180 PolarHBondContact O-N 2.94Å; V143-I237 CarbonylContact C-O 3.51Å; V143-I237 WeakPolarHBondContact CA-O 3.34Å; V143-I237 HydrophobicContact CG2-CB 4.27Å; V143-I237 HydrophobicContact CG2-CD1 4.41Å; V143-T239 HydrophobicContact CG1-CG2 4.32Å |
| 144 | C | 97.7 | Very high | 96.5 | Very high | 9 Ų | 9 | 21.1 Ų | 21.1 | 6% | 0.061 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 129.2 | 174.1 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | I215 L236 I237 W238 T239 A240 | C144-I215 HydrophobicContact CB-CD1 3.74Å; C144-L236 HydrophobicContact CB-CD1 4.03Å; C144-I237 PolarHBondContact N-O 2.79Å; C144-W238 HydrophobicContact CB-CD2 4.29Å; C144-W238 HydrophobicContact CB-CE3 3.72Å; C144-W238 HydrophobicContact CB-CZ3 4.15Å; C144-W238 VanDerWaalsContact SG-CZ3 3.52Å; C144-T239 CarbonylContact O-C 3.28Å; C144-T239 WeakPolarHBondContact O-CA 3.33Å; C144-T239 PolarHBondContact O-N 2.86Å; C144-T239 PolarHBondContact O-OG1 3.02Å; C144-A240 PolarHBondContact O-N 2.89Å |
| 145 | G | 94.9 | Very high | 96.7 | Very high | 5 Ų | 5 | 18.2 Ų | 18.2 | 5% | 0.052 | 10% | 0.096 | C | C | . | . | trans | 94.3 | 130.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V180 T239 | G145-V180 PolarHBondContact N-O 3.07Å; G145-T239 PolarHBondContact O-OG1 3.47Å | ||
| 146 | S | 95.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.014 | 9% | 0.085 | C | C | . | . | trans | -109.3 | 28.9 | -179.1 | 69.1 | 0 | 0 | 0 | 0 | 113.1 | E181 I186 L187 | S146-E181 VanDerWaalsContact CB-OE2 3.31Å; S146-E181 WeakPolarHBondContact CB-OE2 3.42Å; S146-E181 PolarHBondContact N-OE2 2.62Å; S146-E181 VanDerWaalsContact OG-CD 3.24Å; S146-E181 VanDerWaalsContact OG-CG 3.26Å; S146-E181 WeakPolarHBondContact OG-CG 3.31Å; S146-E181 PolarHBondContact OG-OE2 2.76Å; S146-I186 VanDerWaalsContact OG-CA 3.3Å; S146-I186 WeakPolarHBondContact OG-CA 3.2Å; S146-L187 WeakPolarHBondContact O-CA 3.35Å; S146-L187 WeakPolarHBondContact O-CD2 3.3Å; S146-L187 PolarHBondContact O-N 3.26Å | ||
| 147 | G | 93.3 | Very high | 97 | Very high | 38 Ų | 38 | 9.9 Ų | 9.9 | 39% | 0.392 | 7% | 0.065 | S | C | . | . | S | Bend | trans | -70.7 | -177.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112 | T149 G150 I151 | G147-T149 PolarHBondContact O-N 2.86Å; G147-G150 PolarHBondContact O-N 2.86Å; G147-I151 WeakPolarHBondContact O-CG1 3.47Å; G147-I151 PolarHBondContact O-N 2.89Å |
| 148 | F | 93.6 | Very high | 97.1 | Very high | 40 Ų | 40 | 10.1 Ų | 10.1 | 18% | 0.175 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -57 | -54.1 | -177.8 | -55.6 | -36.2 | 0 | 0 | 0 | 112 | G150 I151 E152 L187 M189 L190 I298 F332 V334 | F148-G150 VanDerWaalsContact C-N 3.32Å; F148-G150 PolarHBondContact O-N 3.43Å; F148-I151 PolarHBondContact O-N 3.28Å; F148-E152 WeakPolarHBondContact O-CB 3.38Å; F148-E152 VanDerWaalsContact O-CG 3.26Å; F148-E152 WeakPolarHBondContact O-CG 3.28Å; F148-E152 PolarHBondContact O-N 3.24Å; F148-L187 HydrophobicContact CD1-CD2 3.77Å; F148-L187 HydrophobicContact CE1-CD2 4.21Å; F148-M189 HydrophobicContact CE1-CB 4.28Å; F148-M189 HydrophobicContact CE2-CB 4.33Å; F148-M189 HydrophobicContact CZ-CB 3.62Å; F148-M189 HydrophobicContact CZ-CG 4.43Å; F148-L190 HydrophobicContact CE1-CD2 4.07Å; F148-L190 HydrophobicContact CE1-CG 4.04Å; F148-L190 HydrophobicContact CZ-CD2 4.42Å; F148-I298 HydrophobicContact CE2-CG2 4.38Å; F148-F332 HydrophobicContact CE1-CB 4.46Å; F148-F332 AromaticContact CE2-CD1 3.52Å; F148-F332 HydrophobicContact CE2-CD1 3.52Å; F148-F332 HydrophobicContact CE2-CE1 4.02Å; F148-F332 HydrophobicContact CE2-CG 4.27Å; F148-F332 HydrophobicContact CZ-CB 3.9Å; F148-F332 AromaticContact CZ-CD1 3.48Å; F148-F332 HydrophobicContact CZ-CD1 3.48Å; F148-F332 VanDerWaalsContact CZ-CD1 3.48Å; F148-F332 HydrophobicContact CZ-CE1 4.16Å; F148-F332 AromaticContact CZ-CG 3.77Å; F148-F332 HydrophobicContact CZ-CG 3.77Å; F148-V334 HydrophobicContact CB-CG2 4.49Å; F148-V334 HydrophobicContact CD1-CG2 3.23Å; F148-V334 HydrophobicContact CE1-CG2 3.6Å; F148-V334 HydrophobicContact CG-CG2 4.09Å |
| 149 | T | 94.5 | Very high | 96.9 | Very high | 51 Ų | 51 | 10.5 Ų | 10.5 | 31% | 0.313 | 7% | 0.066 | S | C | . | . | H | α-helix | trans | -54.9 | -44.2 | 178.9 | -48.9 | 0 | 0 | 0 | 0 | 113 | L106 G147 M153 T239 | L106-T149 HydrophobicContact CB-CG2 4.42Å; L106-T149 HydrophobicContact CD2-CG2 3.81Å; L106-T149 HydrophobicContact CG-CG2 4.2Å; G147-T149 PolarHBondContact O-N 2.86Å; T149-M153 VanDerWaalsContact O-CB 3.23Å; T149-M153 WeakPolarHBondContact O-CB 3.5Å; T149-M153 PolarHBondContact O-N 3.06Å; T149-T239 HydrophobicContact CG2-CG2 4.08Å |
| 150 | G | 96.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -67.1 | -43.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | G147 F148 M153 I154 T239 | G147-G150 PolarHBondContact O-N 2.86Å; F148-G150 VanDerWaalsContact C-N 3.32Å; F148-G150 PolarHBondContact O-N 3.43Å; G150-M153 PolarHBondContact O-N 2.85Å; G150-I154 PolarHBondContact O-N 3.32Å; G150-T239 WeakPolarHBondContact CA-OG1 3.33Å |
| 151 | I | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -70.4 | -36.6 | 177.5 | -63.7 | -48.9 | 0 | 0 | 0 | 112 | G147 F148 I154 G155 V179 L187 M202 V334 I336 | G147-I151 WeakPolarHBondContact O-CG1 3.47Å; G147-I151 PolarHBondContact O-N 2.89Å; F148-I151 PolarHBondContact O-N 3.28Å; I151-I154 VanDerWaalsContact O-CG2 3.31Å; I151-I154 WeakPolarHBondContact O-CG2 3.33Å; I151-G155 PolarHBondContact O-N 3.05Å; I151-V179 HydrophobicContact CD1-CG1 4.2Å; I151-V179 HydrophobicContact CD1-CG2 4.34Å; I151-L187 HydrophobicContact CB-CD2 4.08Å; I151-L187 HydrophobicContact CG1-CD1 4.21Å; I151-L187 HydrophobicContact CG1-CD2 3.64Å; I151-L187 HydrophobicContact CG1-CG 3.84Å; I151-L187 HydrophobicContact CG2-CD1 4.34Å; I151-M202 HydrophobicContact CD1-CE 3.89Å; I151-M202 HydrophobicContact CD1-SD 3.96Å; I151-M202 HydrophobicContact CG2-CE 4.39Å; I151-M202 HydrophobicContact CG2-SD 4.06Å; I151-V334 HydrophobicContact CB-CG1 4.06Å; I151-V334 HydrophobicContact CG2-CG1 3.71Å; I151-I336 HydrophobicContact CG2-CD1 3.9Å; I151-I336 HydrophobicContact CG2-CG1 3.85Å |
| 152 | E | 97.8 | Very high | 96.5 | Very high | 18 Ų | 18 | 15.7 Ų | 15.7 | 8% | 0.084 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.3 | -45.4 | 173.3 | -72.5 | 174.9 | 148 | 0 | 0 | 111.2 | H28 F148 G155 E156 V334 S335 | H28-E152 HydrophobicContact CB-CB 4.24Å; H28-E152 VanDerWaalsContact CE1-CD 3.46Å; H28-E152 IonicContact CE1-OE1 2.83Å; H28-E152 IonicContact CE1-OE2 3.96Å; H28-E152 PolarHBondContact CE1-OE2 2.91Å; H28-E152 IonicContact ND1-OE2 3.88Å; H28-E152 PolarHBondContact ND1-OE2 3.37Å; F148-E152 WeakPolarHBondContact O-CB 3.38Å; F148-E152 VanDerWaalsContact O-CG 3.26Å; F148-E152 WeakPolarHBondContact O-CG 3.28Å; F148-E152 PolarHBondContact O-N 3.24Å; E152-G155 WeakPolarHBondContact O-CA 3.34Å; E152-G155 PolarHBondContact O-N 2.85Å; E152-G155 VanDerWaalsContact O-N 3.13Å; E152-E156 PolarHBondContact O-N 3.49Å; E152-V334 HydrophobicContact CG-CG1 4.12Å; E152-S335 WeakPolarHBondContact CA-O 3.33Å; E152-S335 WeakPolarHBondContact CG-O 3.3Å; E152-S335 PolarHBondContact OE1-OG 2.88Å |
| 153 | M | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.2 | -48.5 | 177.4 | -173.3 | 66.1 | -128.9 | 0 | 0 | 112.3 | H28 A31 L106 I115 V143 T149 G150 G155 E156 L157 I237 | H28-M153 HydrophobicContact CB-CB 4.47Å; H28-M153 HydrophobicContact CB-SD 4.31Å; A31-M153 HydrophobicContact CB-CE 4.01Å; A31-M153 HydrophobicContact CB-SD 3.68Å; L106-M153 HydrophobicContact CD2-CB 4.13Å; L106-M153 HydrophobicContact CD2-CG 4.12Å; L106-M153 HydrophobicContact CD2-SD 3.64Å; I115-M153 HydrophobicContact CG2-CE 4.41Å; V143-M153 HydrophobicContact CG2-CG 4.32Å; T149-M153 VanDerWaalsContact O-CB 3.23Å; T149-M153 WeakPolarHBondContact O-CB 3.5Å; T149-M153 PolarHBondContact O-N 3.06Å; G150-M153 PolarHBondContact O-N 2.85Å; M153-G155 PolarHBondContact O-N 2.96Å; M153-E156 PolarHBondContact O-N 3.19Å; M153-E156 VanDerWaalsContact O-N 3.11Å; M153-L157 HydrophobicContact CE-CD1 4.2Å; M153-L157 HydrophobicContact CE-CD2 3.56Å; M153-L157 HydrophobicContact CE-CG 3.65Å; M153-L157 WeakPolarHBondContact O-CG 3.48Å; M153-L157 PolarHBondContact O-N 3.43Å; M153-I237 HydrophobicContact CE-CD1 4.01Å; M153-I237 HydrophobicContact CG-CD1 3.76Å; M153-I237 HydrophobicContact CG-CG2 4.33Å; M153-I237 HydrophobicContact SD-CD1 4.21Å |
| 154 | I | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.8 | -31.9 | 177.6 | -157.7 | 75.9 | 0 | 0 | 0 | 111.4 | V143 G150 I151 L157 M158 L177 V179 M202 I207 | V143-I154 HydrophobicContact CB-CD1 4.31Å; V143-I154 HydrophobicContact CG2-CB 4.26Å; V143-I154 HydrophobicContact CG2-CD1 3.68Å; G150-I154 PolarHBondContact O-N 3.32Å; I151-I154 VanDerWaalsContact O-CG2 3.31Å; I151-I154 WeakPolarHBondContact O-CG2 3.33Å; I154-L157 HydrophobicContact CD1-CD1 4.3Å; I154-L157 PolarHBondContact O-N 2.9Å; I154-M158 WeakPolarHBondContact O-CB 3.31Å; I154-M158 PolarHBondContact O-N 3.06Å; I154-L177 HydrophobicContact CD1-CB 3.96Å; I154-L177 HydrophobicContact CG1-CB 4.36Å; I154-V179 HydrophobicContact CB-CG2 3.88Å; I154-V179 HydrophobicContact CD1-CG2 4.19Å; I154-V179 HydrophobicContact CG1-CG2 3.76Å; I154-V179 HydrophobicContact CG2-CG2 3.74Å; I154-M202 HydrophobicContact CG2-SD 4.05Å; I154-I207 HydrophobicContact CG1-CD1 4.18Å; I154-I207 HydrophobicContact CG1-CG2 3.83Å; I154-I207 HydrophobicContact CG2-CD1 4.26Å |
| 155 | G | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62 | -40.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | I151 E152 M153 M158 E159 G337 | I151-G155 PolarHBondContact O-N 3.05Å; E152-G155 WeakPolarHBondContact O-CA 3.34Å; E152-G155 PolarHBondContact O-N 2.85Å; E152-G155 VanDerWaalsContact O-N 3.13Å; M153-G155 PolarHBondContact O-N 2.96Å; G155-M158 WeakPolarHBondContact O-CB 3.32Å; G155-M158 PolarHBondContact O-N 2.73Å; G155-E159 PolarHBondContact O-N 3.01Å; G155-G337 VanDerWaalsContact CA-N 3.33Å; G155-G337 WeakPolarHBondContact O-CA 3.43Å |
| 156 | E | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67 | -43.8 | 173.5 | -63.5 | -47.9 | 132.2 | 0 | 0 | 112.4 | H28 R34 E152 M153 M158 E159 W160 G337 R392 | H28-E156 HydrophobicContact CB-CG 4.46Å; H28-E156 IonicContact CD2-OE1 3.64Å; H28-E156 WeakPolarHBondContact O-CG 3.46Å; R34-E156 IonicContact CZ-OE1 2.71Å; R34-E156 VanDerWaalsContact CZ-OE1 3.22Å; R34-E156 IonicContact CZ-OE2 3.52Å; R34-E156 IonicContact NE-OE2 3.73Å; R34-E156 IonicContact NH1-OE1 3.55Å; R34-E156 PolarHBondContact NH1-OE1 2.61Å; R34-E156 IonicContact NH1-OE2 3.65Å; R34-E156 PolarHBondContact NH1-OE2 3.29Å; R34-E156 IonicContact NH2-OE1 2.85Å; E152-E156 PolarHBondContact O-N 3.49Å; M153-E156 PolarHBondContact O-N 3.19Å; M153-E156 VanDerWaalsContact O-N 3.11Å; E156-M158 PolarHBondContact O-N 3.04Å; E156-E159 PolarHBondContact O-N 2.91Å; E156-E159 VanDerWaalsContact O-N 3.14Å; E156-W160 VanDerWaalsContact O-CB 3.32Å; E156-W160 WeakPolarHBondContact O-CB 3.14Å; E156-W160 PolarHBondContact O-N 3.25Å; E156-G337 WeakPolarHBondContact OE1-CA 3.32Å; E156-R392 PolarHBondContact O-NH2 3.37Å; E156-R392 IonicContact OE2-CZ 3.73Å; E156-R392 IonicContact OE2-NH2 4Å; E156-R392 PolarHBondContact OE2-NH2 3.33Å |
| 157 | L | 98.2 | Very high | 95 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.1 | -36.1 | 176.9 | -63.2 | -179.8 | 0 | 0 | 0 | 112 | I119 F141 V143 M153 I154 E159 W160 K161 L177 I237 | I119-L157 HydrophobicContact CD1-CD2 3.6Å; F141-L157 HydrophobicContact CB-CD1 3.96Å; F141-L157 HydrophobicContact CD2-CD1 4.29Å; F141-L157 HydrophobicContact CD2-CD2 4.33Å; V143-L157 HydrophobicContact CG2-CD1 4.23Å; M153-L157 HydrophobicContact CE-CD1 4.2Å; M153-L157 HydrophobicContact CE-CD2 3.56Å; M153-L157 HydrophobicContact CE-CG 3.65Å; M153-L157 WeakPolarHBondContact O-CG 3.48Å; M153-L157 PolarHBondContact O-N 3.43Å; I154-L157 HydrophobicContact CD1-CD1 4.3Å; I154-L157 PolarHBondContact O-N 2.9Å; L157-E159 VanDerWaalsContact C-N 3.29Å; L157-E159 PolarHBondContact O-N 2.97Å; L157-W160 HydrophobicContact CD2-CE3 4.01Å; L157-W160 HydrophobicContact CD2-CZ3 4.5Å; L157-W160 PolarHBondContact O-N 3.17Å; L157-K161 WeakPolarHBondContact O-CB 3.21Å; L157-K161 PolarHBondContact O-N 3.41Å; L157-L177 HydrophobicContact CB-CD1 4.18Å; L157-L177 HydrophobicContact CB-CD2 3.87Å; L157-I237 HydrophobicContact CD1-CD1 4.12Å |
| 158 | M | 97.2 | Very high | 94.7 | Very high | 16 Ų | 16 | 30.4 Ų | 30.4 | 8% | 0.079 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.8 | -38.5 | 175.6 | 177 | -160.4 | 62.5 | 0 | 0 | 112.7 | I154 G155 E156 K161 L177 F201 K205 I207 I336 | I154-M158 WeakPolarHBondContact O-CB 3.31Å; I154-M158 PolarHBondContact O-N 3.06Å; G155-M158 WeakPolarHBondContact O-CB 3.32Å; G155-M158 PolarHBondContact O-N 2.73Å; E156-M158 PolarHBondContact O-N 3.04Å; M158-K161 WeakPolarHBondContact O-CG 3.47Å; M158-L177 HydrophobicContact CB-CD1 3.94Å; M158-F201 HydrophobicContact CE-CE1 4.06Å; M158-F201 HydrophobicContact CE-CZ 4.32Å; M158-F201 HydrophobicContact SD-CE1 4.14Å; M158-K205 HydrophobicContact CG-CB 4.15Å; M158-K205 HydrophobicContact SD-CB 3.43Å; M158-K205 WeakPolarHBondContact SD-CB 3.23Å; M158-K205 HydrophobicContact SD-CD 3.93Å; M158-K205 HydrophobicContact SD-CG 3.47Å; M158-K205 WeakPolarHBondContact SD-CG 3.45Å; M158-I207 HydrophobicContact CB-CD1 4.07Å; M158-I207 HydrophobicContact CG-CD1 4.22Å; M158-I207 HydrophobicContact SD-CD1 4.1Å; M158-I336 HydrophobicContact CE-CG2 4.34Å; M158-I336 WeakPolarHBondContact CE-O 3.28Å |
| 159 | E | 95.5 | Very high | 94.3 | Very high | 27 Ų | 27 | 38 Ų | 38 | 13% | 0.126 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -83.5 | -36.7 | 175.9 | -64 | -166.3 | 150.7 | 0 | 0 | 112.1 | G155 E156 L157 S338 R392 | G155-E159 PolarHBondContact O-N 3.01Å; E156-E159 PolarHBondContact O-N 2.91Å; E156-E159 VanDerWaalsContact O-N 3.14Å; L157-E159 VanDerWaalsContact C-N 3.29Å; L157-E159 PolarHBondContact O-N 2.97Å; E159-S338 VanDerWaalsContact CD-OG 3.23Å; E159-S338 PolarHBondContact OE1-N 3.12Å; E159-S338 PolarHBondContact OE1-OG 3.28Å; E159-S338 VanDerWaalsContact OE1-OG 3.08Å; E159-S338 VanDerWaalsContact OE2-CB 3.27Å; E159-S338 WeakPolarHBondContact OE2-CB 3.47Å; E159-S338 PolarHBondContact OE2-N 3.47Å; E159-S338 PolarHBondContact OE2-OG 3.34Å; E159-R392 HydrophobicContact CB-CG 4.39Å; E159-R392 IonicContact OE2-NE 2.76Å |
| 160 | W | 97.1 | Very high | 94 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 3% | 0.03 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70 | -32.8 | -175.8 | -162.9 | 21.4 | 0 | 0 | 0 | 112.8 | A31 G32 R116 I119 E120 E156 L157 T162 V163 L164 | A31-W160 WeakPolarHBondContact O-CZ3 3.47Å; G32-W160 VanDerWaalsContact C-CE3 3.5Å; G32-W160 VanDerWaalsContact O-CD2 3.24Å; R116-W160 HydrophobicContact CB-CH2 4.35Å; R116-W160 HydrophobicContact CG-CH2 3.81Å; R116-W160 HydrophobicContact CG-CZ2 4.28Å; I119-W160 HydrophobicContact CB-CH2 3.94Å; I119-W160 HydrophobicContact CB-CZ3 3.8Å; I119-W160 HydrophobicContact CD1-CE3 4.42Å; I119-W160 HydrophobicContact CD1-CZ3 3.75Å; I119-W160 HydrophobicContact CG1-CZ3 4.38Å; I119-W160 HydrophobicContact CG2-CE3 4.07Å; I119-W160 HydrophobicContact CG2-CH2 3.75Å; I119-W160 HydrophobicContact CG2-CZ3 3.51Å; E120-W160 HydrophobicContact CG-CH2 4.04Å; E120-W160 HydrophobicContact CG-CZ2 3.8Å; E156-W160 VanDerWaalsContact O-CB 3.32Å; E156-W160 WeakPolarHBondContact O-CB 3.14Å; E156-W160 PolarHBondContact O-N 3.25Å; L157-W160 HydrophobicContact CD2-CE3 4.01Å; L157-W160 HydrophobicContact CD2-CZ3 4.5Å; L157-W160 PolarHBondContact O-N 3.17Å; W160-T162 PolarHBondContact O-N 3.21Å; W160-V163 WeakPolarHBondContact O-CA 3.26Å; W160-V163 WeakPolarHBondContact O-CB 3.49Å; W160-V163 PolarHBondContact O-N 3.13Å; W160-L164 HydrophobicContact CB-CD1 4.48Å; W160-L164 HydrophobicContact CD2-CD1 3.67Å; W160-L164 HydrophobicContact CD2-CG 4.11Å; W160-L164 HydrophobicContact CE3-CD1 4.07Å; W160-L164 HydrophobicContact CG-CD1 3.86Å; W160-L164 HydrophobicContact CG-CG 4.09Å; W160-L164 HydrophobicContact CZ2-CD1 4.42Å; W160-L164 HydrophobicContact CZ2-CD2 4.01Å; W160-L164 HydrophobicContact CZ2-CG 4.48Å; W160-L164 PolarHBondContact O-N 3.36Å |
| 161 | K | 95.5 | Very high | 93.6 | Very high | 36 Ų | 36 | 43.6 Ų | 43.6 | 16% | 0.157 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -53.1 | -35.2 | 179.7 | 74.5 | 177.6 | 179.6 | 174.6 | 0 | 113.6 | L157 M158 A165 F175 L177 | L157-K161 WeakPolarHBondContact O-CB 3.21Å; L157-K161 PolarHBondContact O-N 3.41Å; M158-K161 WeakPolarHBondContact O-CG 3.47Å; K161-A165 WeakPolarHBondContact O-CB 3.39Å; K161-A165 PolarHBondContact O-N 3.27Å; K161-F175 HydrophobicContact CB-CB 4.11Å; K161-F175 HydrophobicContact CB-CD1 4.07Å; K161-F175 HydrophobicContact CB-CD2 4.48Å; K161-F175 HydrophobicContact CB-CG 3.97Å; K161-F175 HydrophobicContact CD-CB 4.23Å; K161-L177 HydrophobicContact CD-CD1 4.05Å |
| 162 | T | 92.4 | Very high | 93.2 | Very high | 78 Ų | 78 | 45.5 Ų | 45.5 | 48% | 0.479 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -72.1 | -33.2 | 179.6 | -57 | 0 | 0 | 0 | 0 | 111.9 | W160 K166 | W160-T162 PolarHBondContact O-N 3.21Å; T162-K166 WeakPolarHBondContact O-CB 3.38Å; T162-K166 PolarHBondContact O-N 3.49Å |
| 163 | V | 93.5 | Very high | 92.8 | Very high | 15 Ų | 15 | 51.2 Ų | 51.2 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.3 | -53 | 174.6 | 179 | 0 | 0 | 0 | 0 | 109.5 | W160 A165 K166 E167 N390 | W160-V163 WeakPolarHBondContact O-CA 3.26Å; W160-V163 WeakPolarHBondContact O-CB 3.49Å; W160-V163 PolarHBondContact O-N 3.13Å; V163-A165 VanDerWaalsContact C-N 3.32Å; V163-A165 PolarHBondContact O-N 2.75Å; V163-K166 WeakPolarHBondContact O-CB 3.08Å; V163-K166 PolarHBondContact O-N 2.93Å; V163-E167 HydrophobicContact CG1-CG 4.39Å; V163-E167 WeakPolarHBondContact CG1-OE1 3.45Å; V163-E167 WeakPolarHBondContact O-CG 3.43Å; V163-E167 PolarHBondContact O-N 3.43Å; V163-N390 VanDerWaalsContact CG1-ND2 3.27Å; V163-N390 WeakPolarHBondContact CG1-ND2 3.45Å; V163-N390 HydrophobicContact CG2-CB 3.62Å |
| 164 | L | 93.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.8 | -46.7 | 178 | -71 | 167.9 | 0 | 0 | 0 | 111.3 | I119 V123 W160 K166 E167 H168 F175 | I119-L164 HydrophobicContact CG2-CD1 3.7Å; V123-L164 HydrophobicContact CG1-CB 4.27Å; V123-L164 HydrophobicContact CG2-CD1 4.26Å; V123-L164 HydrophobicContact CG2-CD2 4.47Å; W160-L164 HydrophobicContact CB-CD1 4.48Å; W160-L164 HydrophobicContact CD2-CD1 3.67Å; W160-L164 HydrophobicContact CD2-CG 4.11Å; W160-L164 HydrophobicContact CE3-CD1 4.07Å; W160-L164 HydrophobicContact CG-CD1 3.86Å; W160-L164 HydrophobicContact CG-CG 4.09Å; W160-L164 HydrophobicContact CZ2-CD1 4.42Å; W160-L164 HydrophobicContact CZ2-CD2 4.01Å; W160-L164 HydrophobicContact CZ2-CG 4.48Å; W160-L164 PolarHBondContact O-N 3.36Å; L164-K166 VanDerWaalsContact C-N 3.32Å; L164-K166 PolarHBondContact O-N 2.97Å; L164-E167 PolarHBondContact O-N 3.26Å; L164-H168 WeakPolarHBondContact O-CB 3.26Å; L164-H168 PolarHBondContact O-CD2 3.12Å; L164-H168 VanDerWaalsContact O-CD2 3.25Å; L164-H168 PolarHBondContact O-N 2.93Å; L164-F175 HydrophobicContact CB-CE1 4.15Å; L164-F175 HydrophobicContact CB-CZ 3.95Å; L164-F175 HydrophobicContact CD1-CE1 4.41Å |
| 165 | A | 91.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.1 | -45.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K161 V163 K169 L170 P172 F175 | K161-A165 WeakPolarHBondContact O-CB 3.39Å; K161-A165 PolarHBondContact O-N 3.27Å; V163-A165 VanDerWaalsContact C-N 3.32Å; V163-A165 PolarHBondContact O-N 2.75Å; A165-K169 CarbonylContact O-C 3.34Å; A165-K169 WeakPolarHBondContact O-CA 3.22Å; A165-K169 PolarHBondContact O-N 3.36Å; A165-L170 CarbonylContact C-O 3.54Å; A165-L170 HydrophobicContact CB-CB 4.47Å; A165-L170 WeakPolarHBondContact CB-O 3.39Å; A165-L170 PolarHBondContact O-N 3.27Å; A165-L170 VanDerWaalsContact O-O 3.14Å; A165-P172 HydrophobicContact CB-CB 4.36Å; A165-P172 HydrophobicContact CB-CG 3.87Å; A165-F175 HydrophobicContact CB-CD2 4.39Å; A165-F175 HydrophobicContact CB-CE2 3.71Å; A165-F175 HydrophobicContact CB-CZ 4.44Å |
| 166 | K | 87.4 | Confident | 92.4 | Very high | 174 Ų | 174 | 53.3 Ų | 53.3 | 76% | 0.757 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -66.5 | -44.9 | -179.9 | -177.2 | -173.8 | 173.6 | -166.3 | 0 | 112.4 | T162 V163 L164 H168 K169 | T162-K166 WeakPolarHBondContact O-CB 3.38Å; T162-K166 PolarHBondContact O-N 3.49Å; V163-K166 WeakPolarHBondContact O-CB 3.08Å; V163-K166 PolarHBondContact O-N 2.93Å; L164-K166 VanDerWaalsContact C-N 3.32Å; L164-K166 PolarHBondContact O-N 2.97Å; K166-H168 VanDerWaalsContact C-N 3.32Å; K166-K169 PolarHBondContact O-N 2.92Å |
| 167 | E | 88.5 | Confident | 92.4 | Very high | 119 Ų | 119 | 53.4 Ų | 53.4 | 56% | 0.556 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -65.9 | -36.6 | -178.2 | -73.1 | 174.4 | 173.8 | 0 | 0 | 111.7 | V163 L164 | V163-E167 HydrophobicContact CG1-CG 4.39Å; V163-E167 WeakPolarHBondContact CG1-OE1 3.45Å; V163-E167 WeakPolarHBondContact O-CG 3.43Å; V163-E167 PolarHBondContact O-N 3.43Å; L164-E167 PolarHBondContact O-N 3.26Å |
| 168 | H | 86.7 | Confident | 92.5 | Very high | 53 Ų | 53 | 54 Ų | 54 | 25% | 0.245 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 8.7 | -178.2 | -64.9 | -86.6 | 0 | 0 | 0 | 114.2 | V123 A127 L164 K166 L170 | V123-H168 HydrophobicContact CG1-CB 3.99Å; A127-H168 HydrophobicContact CB-CB 4.03Å; L164-H168 WeakPolarHBondContact O-CB 3.26Å; L164-H168 PolarHBondContact O-CD2 3.12Å; L164-H168 VanDerWaalsContact O-CD2 3.25Å; L164-H168 PolarHBondContact O-N 2.93Å; K166-H168 VanDerWaalsContact C-N 3.32Å; H168-L170 HydrophobicContact CB-CD1 4.14Å; H168-L170 HydrophobicContact CB-CG 4.36Å; H168-L170 PolarHBondContact O-N 3.21Å |
| 169 | K | 86.1 | Confident | 92.5 | Very high | 200 Ų | 200 | 53.3 Ų | 53.3 | 87% | 0.87 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 29.9 | -179.8 | -51.7 | 174.3 | -175.5 | 171.2 | 0 | 113.9 | A165 K166 | A165-K169 CarbonylContact O-C 3.34Å; A165-K169 WeakPolarHBondContact O-CA 3.22Å; A165-K169 PolarHBondContact O-N 3.36Å; K166-K169 PolarHBondContact O-N 2.92Å |
| 170 | L | 87.7 | Confident | 92.6 | Very high | 19 Ų | 19 | 52.1 Ų | 52.1 | 10% | 0.099 | 24% | 0.242 | C | C | . | . | trans | -92.3 | 166 | 173.4 | -68.8 | 167.2 | 0 | 0 | 0 | 110.7 | V123 A127 L139 A165 H168 F175 | V123-L170 HydrophobicContact CG1-CD1 3.89Å; A127-L170 HydrophobicContact CB-CD1 4.19Å; A127-L170 HydrophobicContact CB-CD2 4.44Å; A127-L170 HydrophobicContact CB-CG 4.24Å; L139-L170 HydrophobicContact CD1-CD1 4.01Å; L139-L170 HydrophobicContact CD1-CD2 4.41Å; L139-L170 HydrophobicContact CD2-CD1 4.03Å; A165-L170 CarbonylContact C-O 3.54Å; A165-L170 HydrophobicContact CB-CB 4.47Å; A165-L170 WeakPolarHBondContact CB-O 3.39Å; A165-L170 PolarHBondContact O-N 3.27Å; A165-L170 VanDerWaalsContact O-O 3.14Å; H168-L170 HydrophobicContact CB-CD1 4.14Å; H168-L170 HydrophobicContact CB-CG 4.36Å; H168-L170 PolarHBondContact O-N 3.21Å; L170-F175 HydrophobicContact CB-CE2 4.19Å; L170-F175 HydrophobicContact CD1-CE2 4.27Å; L170-F175 HydrophobicContact CD1-CZ 4.16Å | ||
| 171 | R | 87 | Confident | 92.6 | Very high | 149 Ų | 149 | 52.7 Ų | 52.7 | 56% | 0.562 | 25% | 0.245 | S | C | * | . | trans | -89.2 | 135.3 | 171.5 | -60.7 | 174.2 | -65.3 | 168.6 | 3.6 | 110.3 | E173 E174 | R171-E173 WeakPolarHBondContact CB-OE2 3.31Å; R171-E173 PolarHBondContact O-N 3.35Å; R171-E174 HydrophobicContact CB-CG 4.15Å; R171-E174 VanDerWaalsContact CB-OE1 3.3Å; R171-E174 WeakPolarHBondContact CB-OE1 3.5Å; R171-E174 WeakPolarHBondContact CG-OE1 3.49Å; R171-E174 IonicContact CZ-OE1 3.42Å; R171-E174 PolarHBondContact N-OE1 3.49Å; R171-E174 IonicContact NE-OE1 3.78Å; R171-E174 PolarHBondContact NE-OE1 3.39Å; R171-E174 IonicContact NH2-OE1 3.54Å; R171-E174 WeakPolarHBondContact O-CB 3.39Å; R171-E174 PolarHBondContact O-N 3.01Å | ||
| 172 | P | 89.2 | Confident | 92.7 | Very high | 40 Ų | 40 | 53.5 Ų | 53.5 | 26% | 0.26 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -23 | 176.6 | -25.8 | 34.6 | 0 | 0 | 0 | 114.6 | A165 E174 | A165-P172 HydrophobicContact CB-CB 4.36Å; A165-P172 HydrophobicContact CB-CG 3.87Å; P172-E174 VanDerWaalsContact C-N 3.33Å |
| 173 | E | 90.4 | Very high | 92.8 | Very high | 137 Ų | 137 | 54 Ų | 54 | 64% | 0.64 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -15.7 | 179.3 | -57.5 | 71.1 | -149.2 | 0 | 0 | 113.2 | R136 R171 F175 | R136-E173 PolarHBondContact NH1-O 3.16Å; R136-E173 VanDerWaalsContact NH1-O 3.12Å; R171-E173 WeakPolarHBondContact CB-OE2 3.31Å; R171-E173 PolarHBondContact O-N 3.35Å; E173-F175 VanDerWaalsContact C-N 3.26Å |
| 174 | E | 90.4 | Very high | 92.9 | Very high | 24 Ų | 24 | 57.7 Ų | 57.7 | 11% | 0.112 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -27.2 | 173.5 | -70.6 | 174.9 | -114.6 | 0 | 0 | 111.4 | R135 R136 L139 R171 P172 | R135-E174 WeakPolarHBondContact CD-OE2 3.47Å; R135-E174 IonicContact NH1-OE2 3.41Å; R136-E174 PolarHBondContact NH1-O 2.98Å; L139-E174 HydrophobicContact CD1-CB 3.77Å; R171-E174 HydrophobicContact CB-CG 4.15Å; R171-E174 VanDerWaalsContact CB-OE1 3.3Å; R171-E174 WeakPolarHBondContact CB-OE1 3.5Å; R171-E174 WeakPolarHBondContact CG-OE1 3.49Å; R171-E174 IonicContact CZ-OE1 3.42Å; R171-E174 PolarHBondContact N-OE1 3.49Å; R171-E174 IonicContact NE-OE1 3.78Å; R171-E174 PolarHBondContact NE-OE1 3.39Å; R171-E174 IonicContact NH2-OE1 3.54Å; R171-E174 WeakPolarHBondContact O-CB 3.39Å; R171-E174 PolarHBondContact O-N 3.01Å; P172-E174 VanDerWaalsContact C-N 3.33Å |
| 175 | F | 97 | Very high | 93 | Very high | 9 Ų | 9 | 60.4 Ų | 60.4 | 4% | 0.039 | 30% | 0.298 | C | S | . | . | trans | -75.8 | 127.8 | 177.8 | -66.6 | -103 | 0 | 0 | 0 | 111.5 | V123 L139 F141 K161 L164 A165 L170 E173 | V123-F175 HydrophobicContact CG1-CE1 4.41Å; V123-F175 HydrophobicContact CG1-CZ 4.01Å; V123-F175 HydrophobicContact CG2-CE1 3.77Å; V123-F175 HydrophobicContact CG2-CZ 4.22Å; L139-F175 HydrophobicContact CB-CD1 4.44Å; L139-F175 HydrophobicContact CD2-CD1 4.14Å; L139-F175 HydrophobicContact CD2-CE1 3.69Å; L139-F175 HydrophobicContact CD2-CE2 4.37Å; L139-F175 HydrophobicContact CD2-CZ 3.81Å; L139-F175 WeakPolarHBondContact O-CA 3.19Å; F141-F175 AromaticContact CE2-CD1 3.86Å; F141-F175 HydrophobicContact CE2-CD1 3.86Å; F141-F175 HydrophobicContact CE2-CE1 4.1Å; F141-F175 HydrophobicContact CZ-CD1 4.1Å; F141-F175 HydrophobicContact CZ-CE1 4.08Å; K161-F175 HydrophobicContact CB-CB 4.11Å; K161-F175 HydrophobicContact CB-CD1 4.07Å; K161-F175 HydrophobicContact CB-CD2 4.48Å; K161-F175 HydrophobicContact CB-CG 3.97Å; K161-F175 HydrophobicContact CD-CB 4.23Å; L164-F175 HydrophobicContact CB-CE1 4.15Å; L164-F175 HydrophobicContact CB-CZ 3.95Å; L164-F175 HydrophobicContact CD1-CE1 4.41Å; A165-F175 HydrophobicContact CB-CD2 4.39Å; A165-F175 HydrophobicContact CB-CE2 3.71Å; A165-F175 HydrophobicContact CB-CZ 4.44Å; L170-F175 HydrophobicContact CB-CE2 4.19Å; L170-F175 HydrophobicContact CD1-CE2 4.27Å; L170-F175 HydrophobicContact CD1-CZ 4.16Å; E173-F175 VanDerWaalsContact C-N 3.26Å | ||
| 176 | T | 98.2 | Very high | 93.3 | Very high | 11 Ų | 11 | 60.5 Ų | 60.5 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 126.1 | 171.5 | -57 | 0 | 0 | 0 | 0 | 109.1 | R136 L139 T140 F141 | R136-T176 PolarHBondContact NE-OG1 3.45Å; R136-T176 PolarHBondContact NH2-OG1 3.05Å; L139-T176 PolarHBondContact O-N 3.49Å; T140-T176 CarbonylContact C-O 3.1Å; T140-T176 WeakPolarHBondContact CA-O 3.29Å; T140-T176 HydrophobicContact CG2-CG2 4.15Å; F141-T176 PolarHBondContact N-O 3.26Å |
| 177 | L | 98.6 | Very high | 93.6 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 123.3 | 175.7 | -60.8 | -175.6 | 0 | 0 | 0 | 108.5 | F141 I154 L157 M158 K161 I207 Q208 | F141-L177 HydrophobicContact CB-CD2 3.94Å; F141-L177 HydrophobicContact CD2-CD2 3.69Å; F141-L177 HydrophobicContact CG-CD2 4.23Å; I154-L177 HydrophobicContact CD1-CB 3.96Å; I154-L177 HydrophobicContact CG1-CB 4.36Å; L157-L177 HydrophobicContact CB-CD1 4.18Å; L157-L177 HydrophobicContact CB-CD2 3.87Å; M158-L177 HydrophobicContact CB-CD1 3.94Å; K161-L177 HydrophobicContact CD-CD1 4.05Å; L177-I207 HydrophobicContact CB-CG1 4.36Å; L177-Q208 PolarHBondContact O-N 3.36Å |
| 178 | M | 98.5 | Very high | 93.7 | Very high | 16 Ų | 16 | 50.1 Ų | 50.1 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 135 | -175.9 | -172.5 | 179.5 | -70.3 | 0 | 0 | 111.5 | F141 V142 V143 V180 Q208 I231 | F141-M178 PolarHBondContact O-N 2.87Å; V142-M178 CarbonylContact C-O 3.5Å; V142-M178 WeakPolarHBondContact CA-O 3.15Å; V142-M178 HydrophobicContact CG2-CB 4.38Å; V143-M178 PolarHBondContact N-O 2.94Å; M178-V180 HydrophobicContact CG-CG2 4.02Å; M178-V180 HydrophobicContact SD-CG2 3.87Å; M178-Q208 CarbonylContact C-O 3.56Å; M178-Q208 VanDerWaalsContact CA-O 3.32Å; M178-Q208 WeakPolarHBondContact CA-O 3.5Å; M178-Q208 HydrophobicContact CB-CB 4.32Å; M178-Q208 HydrophobicContact CE-CB 4.26Å; M178-Q208 HydrophobicContact CG-CB 4.12Å; M178-I231 HydrophobicContact CE-CD1 4.43Å; M178-I231 HydrophobicContact CE-CG2 4.34Å; M178-I231 HydrophobicContact SD-CD1 3.49Å; M178-I231 WeakPolarHBondContact SD-CD1 3.11Å; M178-I231 HydrophobicContact SD-CG1 4.24Å; M178-I231 HydrophobicContact SD-CG2 4.16Å |
| 179 | V | 98.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 126.3 | 165.7 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | V143 I151 I154 I207 Q208 L209 K210 | V143-V179 CarbonylContact O-C 3.55Å; V143-V179 WeakPolarHBondContact O-CA 3.3Å; I151-V179 HydrophobicContact CD1-CG1 4.2Å; I151-V179 HydrophobicContact CD1-CG2 4.34Å; I154-V179 HydrophobicContact CB-CG2 3.88Å; I154-V179 HydrophobicContact CD1-CG2 4.19Å; I154-V179 HydrophobicContact CG1-CG2 3.76Å; I154-V179 HydrophobicContact CG2-CG2 3.74Å; V179-I207 HydrophobicContact CG2-CG2 4.17Å; V179-Q208 PolarHBondContact N-O 3.41Å; V179-L209 HydrophobicContact CB-CD2 3.71Å; V179-L209 HydrophobicContact CG2-CD2 3.86Å; V179-K210 PolarHBondContact O-N 2.96Å |
| 180 | V | 97.9 | Very high | 94 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 125.1 | 176.4 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | V142 V143 G145 M178 K210 A213 I215 I223 L225 I231 | V142-V180 HydrophobicContact CG1-CB 4.35Å; V142-V180 HydrophobicContact CG1-CG2 3.61Å; V143-V180 PolarHBondContact O-N 2.94Å; G145-V180 PolarHBondContact N-O 3.07Å; M178-V180 HydrophobicContact CG-CG2 4.02Å; M178-V180 HydrophobicContact SD-CG2 3.87Å; V180-K210 WeakPolarHBondContact CA-O 3.43Å; V180-K210 HydrophobicContact CG2-CB 4.42Å; V180-A213 HydrophobicContact CG1-CB 4.34Å; V180-A213 WeakPolarHBondContact CG1-O 3.27Å; V180-I215 HydrophobicContact CB-CD1 4.36Å; V180-I215 HydrophobicContact CG1-CD1 4.12Å; V180-I215 HydrophobicContact CG1-CG1 3.78Å; V180-I223 HydrophobicContact CG2-CD1 4.36Å; V180-L225 HydrophobicContact CG1-CD2 4Å; V180-I231 HydrophobicContact CG2-CD1 4.12Å |
| 181 | E | 97 | Very high | 94.2 | Very high | 21 Ų | 21 | 45.7 Ų | 45.7 | 10% | 0.098 | 24% | 0.241 | C | C | . | . | trans | -130.2 | 132 | -177 | 174.6 | 53.7 | -115.6 | 0 | 0 | 110.2 | S146 L183 K210 K211 G212 A213 | S146-E181 VanDerWaalsContact CB-OE2 3.31Å; S146-E181 WeakPolarHBondContact CB-OE2 3.42Å; S146-E181 PolarHBondContact N-OE2 2.62Å; S146-E181 VanDerWaalsContact OG-CD 3.24Å; S146-E181 VanDerWaalsContact OG-CG 3.26Å; S146-E181 WeakPolarHBondContact OG-CG 3.31Å; S146-E181 PolarHBondContact OG-OE2 2.76Å; E181-L183 VanDerWaalsContact C-N 3.34Å; E181-L183 HydrophobicContact CG-CB 4.13Å; E181-L183 WeakPolarHBondContact CG-O 3.34Å; E181-L183 WeakPolarHBondContact OE1-CB 3.49Å; E181-L183 PolarHBondContact OE1-N 2.7Å; E181-K210 PolarHBondContact N-O 3.34Å; E181-K211 CarbonylContact O-C 3.54Å; E181-G212 PolarHBondContact O-N 3.46Å; E181-A213 PolarHBondContact O-N 3.5Å | ||
| 182 | A | 96 | Very high | 94.5 | Very high | 52 Ų | 52 | 43 Ų | 43 | 43% | 0.43 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -69.5 | -33 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G212 P214 | A182-G212 WeakPolarHBondContact O-CA 3.3Å; A182-P214 HydrophobicContact CB-CB 4.08Å; A182-P214 HydrophobicContact CB-CG 3.98Å |
| 183 | L | 95.5 | Very high | 94.7 | Very high | 89 Ų | 89 | 48.7 Ų | 48.7 | 47% | 0.466 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -83.7 | 158.2 | 178.9 | -63.2 | 178 | 0 | 0 | 0 | 112.7 | E181 T185 N188 G212 | E181-L183 VanDerWaalsContact C-N 3.34Å; E181-L183 HydrophobicContact CG-CB 4.13Å; E181-L183 WeakPolarHBondContact CG-O 3.34Å; E181-L183 WeakPolarHBondContact OE1-CB 3.49Å; E181-L183 PolarHBondContact OE1-N 2.7Å; L183-T185 PolarHBondContact O-N 2.64Å; L183-N188 VanDerWaalsContact CD1-ND2 3.33Å; L183-N188 WeakPolarHBondContact CD1-ND2 3.34Å; L183-G212 PolarHBondContact O-N 3.32Å |
| 184 | P | 95.6 | Very high | 94.9 | Very high | 92 Ų | 92 | 42.2 Ų | 42.2 | 60% | 0.597 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -70.5 | -13 | 178.7 | 28.1 | -36 | 0 | 0 | 0 | 113.8 | K211 | P184-K211 WeakPolarHBondContact O-CD 3.3Å; P184-K211 WeakPolarHBondContact O-CE 3.34Å |
| 185 | T | 96 | Very high | 95.1 | Very high | 58 Ų | 58 | 41.2 Ų | 41.2 | 36% | 0.356 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -133.8 | 152.7 | -175.3 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | L183 N188 | L183-T185 PolarHBondContact O-N 2.64Å; T185-N188 WeakPolarHBondContact CB-OD1 3.41Å; T185-N188 PolarHBondContact O-ND2 2.84Å; T185-N188 PolarHBondContact O-OD1 3.47Å; T185-N188 PolarHBondContact OG1-OD1 3.2Å |
| 186 | I | 96 | Very high | 95.1 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -100.7 | 164.9 | 178.9 | 67.2 | 164.7 | 0 | 0 | 0 | 112.6 | S146 N188 R192 E199 M202 K211 | S146-I186 VanDerWaalsContact OG-CA 3.3Å; S146-I186 WeakPolarHBondContact OG-CA 3.2Å; I186-N188 VanDerWaalsContact C-N 3.3Å; I186-N188 PolarHBondContact O-N 2.95Å; I186-N188 PolarHBondContact O-OD1 2.96Å; I186-R192 PolarHBondContact O-NH1 3.26Å; I186-R192 PolarHBondContact O-NH2 2.96Å; I186-E199 HydrophobicContact CD1-CB 3.98Å; I186-M202 HydrophobicContact CD1-CE 3.41Å; I186-M202 VanDerWaalsContact CD1-CE 3.41Å; I186-K211 HydrophobicContact CG2-CD 4.1Å; I186-K211 HydrophobicContact CG2-CG 4.24Å |
| 187 | L | 94 | Very high | 95 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | trans | 47.8 | 50.4 | 172.6 | -67.4 | 170.8 | 0 | 0 | 0 | 112.3 | S146 F148 I151 M189 L190 R192 A195 A198 V334 | S146-L187 WeakPolarHBondContact O-CA 3.35Å; S146-L187 WeakPolarHBondContact O-CD2 3.3Å; S146-L187 PolarHBondContact O-N 3.26Å; F148-L187 HydrophobicContact CD1-CD2 3.77Å; F148-L187 HydrophobicContact CE1-CD2 4.21Å; I151-L187 HydrophobicContact CB-CD2 4.08Å; I151-L187 HydrophobicContact CG1-CD1 4.21Å; I151-L187 HydrophobicContact CG1-CD2 3.64Å; I151-L187 HydrophobicContact CG1-CG 3.84Å; I151-L187 HydrophobicContact CG2-CD1 4.34Å; L187-M189 PolarHBondContact O-N 3.33Å; L187-L190 HydrophobicContact CB-CB 4.44Å; L187-L190 HydrophobicContact CB-CD1 3.99Å; L187-L190 HydrophobicContact CB-CG 4.2Å; L187-L190 HydrophobicContact CD1-CD1 3.85Å; L187-L190 HydrophobicContact CG-CD1 4.35Å; L187-L190 WeakPolarHBondContact O-CB 3.16Å; L187-L190 PolarHBondContact O-N 2.87Å; L187-R192 PolarHBondContact O-NH2 3.21Å; L187-A195 HydrophobicContact CB-CB 4.13Å; L187-A198 HydrophobicContact CD1-CB 3.75Å; L187-V334 HydrophobicContact CD2-CG1 4.17Å; L187-V334 HydrophobicContact CD2-CG2 4.14Å | ||
| 188 | N | 91.6 | Very high | 94.9 | Very high | 74 Ų | 74 | 47.1 Ų | 47.1 | 40% | 0.396 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -13.6 | -167.1 | -64.6 | -45.5 | 0 | 0 | 0 | 114.9 | L183 T185 I186 R192 | L183-N188 VanDerWaalsContact CD1-ND2 3.33Å; L183-N188 WeakPolarHBondContact CD1-ND2 3.34Å; T185-N188 WeakPolarHBondContact CB-OD1 3.41Å; T185-N188 PolarHBondContact O-ND2 2.84Å; T185-N188 PolarHBondContact O-OD1 3.47Å; T185-N188 PolarHBondContact OG1-OD1 3.2Å; I186-N188 VanDerWaalsContact C-N 3.3Å; I186-N188 PolarHBondContact O-N 2.95Å; I186-N188 PolarHBondContact O-OD1 2.96Å; N188-R192 PolarHBondContact OD1-NH1 3.39Å |
| 189 | M | 88.2 | Confident | 94.9 | Very high | 97 Ų | 97 | 48.1 Ų | 48.1 | 48% | 0.478 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -10.4 | 173.1 | -63.9 | -66.9 | -75.9 | 0 | 0 | 113.7 | F148 L187 P296 F332 | F148-M189 HydrophobicContact CE1-CB 4.28Å; F148-M189 HydrophobicContact CE2-CB 4.33Å; F148-M189 HydrophobicContact CZ-CB 3.62Å; F148-M189 HydrophobicContact CZ-CG 4.43Å; L187-M189 PolarHBondContact O-N 3.33Å; M189-P296 HydrophobicContact CE-CB 3.96Å; M189-F332 HydrophobicContact CE-CE1 4.4Å; M189-F332 HydrophobicContact CE-CZ 4Å |
| 190 | L | 90.3 | Very high | 94.8 | Very high | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -91.8 | 158.7 | 173.1 | -63.4 | -175.9 | 0 | 0 | 0 | 111.4 | F148 L187 R192 A195 F332 V334 | F148-L190 HydrophobicContact CE1-CD2 4.07Å; F148-L190 HydrophobicContact CE1-CG 4.04Å; F148-L190 HydrophobicContact CZ-CD2 4.42Å; L187-L190 HydrophobicContact CB-CB 4.44Å; L187-L190 HydrophobicContact CB-CD1 3.99Å; L187-L190 HydrophobicContact CB-CG 4.2Å; L187-L190 HydrophobicContact CD1-CD1 3.85Å; L187-L190 HydrophobicContact CG-CD1 4.35Å; L187-L190 WeakPolarHBondContact O-CB 3.16Å; L187-L190 PolarHBondContact O-N 2.87Å; L190-R192 PolarHBondContact O-NH2 2.59Å; L190-A195 HydrophobicContact CB-CB 4.48Å; L190-F332 HydrophobicContact CD2-CB 3.45Å; L190-F332 VanDerWaalsContact CD2-CB 3.45Å; L190-F332 HydrophobicContact CD2-CD2 4.43Å; L190-F332 HydrophobicContact CD2-CG 4.24Å; L190-V334 HydrophobicContact CD1-CG2 4.01Å |
| 191 | D | 91.1 | Very high | 94.8 | Very high | 74 Ų | 74 | 55.9 Ų | 55.9 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | trans | -59.4 | 144.3 | 164.2 | -74.2 | -26.4 | 0 | 0 | 0 | 111.2 | K193 D194 A195 N344 H350 | D191-K193 VanDerWaalsContact C-N 3.28Å; D191-K193 PolarHBondContact O-N 3.11Å; D191-D194 WeakPolarHBondContact O-CB 3.46Å; D191-D194 PolarHBondContact O-N 3.45Å; D191-A195 PolarHBondContact O-N 3.29Å; D191-N344 PolarHBondContact OD2-ND2 2.76Å; D191-N344 VanDerWaalsContact OD2-ND2 3.11Å; D191-H350 IonicContact OD2-CE1 2.74Å; D191-H350 PolarHBondContact OD2-CE1 3.04Å; D191-H350 IonicContact OD2-ND1 2.94Å | ||
| 192 | R | 93.8 | Very high | 94.9 | Very high | 93 Ų | 93 | 54.9 Ų | 54.9 | 35% | 0.351 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.7 | -40.3 | -175.4 | -63.6 | -58.4 | 82.5 | -158.4 | -7.5 | 112.5 | I186 L187 N188 L190 D194 A195 E196 | I186-R192 PolarHBondContact O-NH1 3.26Å; I186-R192 PolarHBondContact O-NH2 2.96Å; L187-R192 PolarHBondContact O-NH2 3.21Å; N188-R192 PolarHBondContact OD1-NH1 3.39Å; L190-R192 PolarHBondContact O-NH2 2.59Å; R192-D194 PolarHBondContact O-N 2.92Å; R192-A195 PolarHBondContact O-N 3Å; R192-E196 WeakPolarHBondContact O-CB 3.37Å; R192-E196 VanDerWaalsContact O-CG 3.26Å; R192-E196 WeakPolarHBondContact O-CG 3.26Å; R192-E196 PolarHBondContact O-N 3.46Å |
| 193 | K | 93.4 | Very high | 94.9 | Very high | 159 Ų | 159 | 57.9 Ų | 57.9 | 69% | 0.691 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -59.5 | -35.1 | 176.9 | -70.2 | -178.1 | 179.4 | 174.5 | 0 | 112.8 | D191 K197 | D191-K193 VanDerWaalsContact C-N 3.28Å; D191-K193 PolarHBondContact O-N 3.11Å; K193-K197 WeakPolarHBondContact O-CG 3.26Å; K193-K197 PolarHBondContact O-N 3.36Å |
| 194 | D | 94.2 | Very high | 95 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -80.9 | -41.6 | -179.3 | -80 | -14.5 | 0 | 0 | 0 | 111.5 | D191 R192 E196 K197 A198 V342 H350 | D191-D194 WeakPolarHBondContact O-CB 3.46Å; D191-D194 PolarHBondContact O-N 3.45Å; R192-D194 PolarHBondContact O-N 2.92Å; D194-E196 VanDerWaalsContact C-N 3.31Å; D194-E196 PolarHBondContact O-N 2.96Å; D194-K197 WeakPolarHBondContact O-CB 3.08Å; D194-K197 PolarHBondContact O-N 2.9Å; D194-K197 IonicContact OD1-NZ 3.65Å; D194-K197 PolarHBondContact OD1-NZ 2.82Å; D194-A198 PolarHBondContact O-N 3.44Å; D194-A198 VanDerWaalsContact O-N 3.13Å; D194-V342 HydrophobicContact CB-CG1 3.58Å; D194-H350 IonicContact OD1-ND1 3.09Å; D194-H350 IonicContact OD2-CE1 3.77Å; D194-H350 IonicContact OD2-CG 2.85Å; D194-H350 IonicContact OD2-ND1 3.14Å; D194-H350 PolarHBondContact OD2-ND1 2.86Å |
| 195 | A | 96 | Very high | 95 | Very high | 3 Ų | 3 | 62.8 Ų | 62.8 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.4 | -41.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112 | L187 L190 D191 R192 K197 A198 E199 | L187-A195 HydrophobicContact CB-CB 4.13Å; L190-A195 HydrophobicContact CB-CB 4.48Å; D191-A195 PolarHBondContact O-N 3.29Å; R192-A195 PolarHBondContact O-N 3Å; A195-K197 PolarHBondContact O-N 3.44Å; A195-A198 WeakPolarHBondContact O-CB 3.46Å; A195-A198 PolarHBondContact O-N 2.89Å; A195-E199 WeakPolarHBondContact O-CB 3.35Å; A195-E199 PolarHBondContact O-N 3.39Å |
| 196 | E | 96.1 | Very high | 95 | Very high | 87 Ų | 87 | 62.5 Ų | 62.5 | 41% | 0.407 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.3 | -35.4 | 175.6 | -76.9 | 173.9 | -155.9 | 0 | 0 | 113.2 | R192 D194 A198 E199 R200 | R192-E196 WeakPolarHBondContact O-CB 3.37Å; R192-E196 VanDerWaalsContact O-CG 3.26Å; R192-E196 WeakPolarHBondContact O-CG 3.26Å; R192-E196 PolarHBondContact O-N 3.46Å; D194-E196 VanDerWaalsContact C-N 3.31Å; D194-E196 PolarHBondContact O-N 2.96Å; E196-A198 VanDerWaalsContact C-N 3.33Å; E196-E199 PolarHBondContact O-N 2.94Å; E196-R200 WeakPolarHBondContact O-CB 3.4Å; E196-R200 WeakPolarHBondContact O-CG 3.49Å; E196-R200 PolarHBondContact O-N 3.43Å; E196-R200 IonicContact OE2-NH1 3.74Å; E196-R200 PolarHBondContact OE2-NH1 3.21Å; E196-R200 VanDerWaalsContact OE2-NH1 3.14Å |
| 197 | K | 96.7 | Very high | 95.1 | Very high | 58 Ų | 58 | 62.6 Ų | 62.6 | 25% | 0.252 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 173.9 | -72.8 | 169.8 | -165.7 | 156.7 | 0 | 110.3 | K193 D194 A195 F201 W340 V342 | K193-K197 WeakPolarHBondContact O-CG 3.26Å; K193-K197 PolarHBondContact O-N 3.36Å; D194-K197 WeakPolarHBondContact O-CB 3.08Å; D194-K197 PolarHBondContact O-N 2.9Å; D194-K197 IonicContact OD1-NZ 3.65Å; D194-K197 PolarHBondContact OD1-NZ 2.82Å; A195-K197 PolarHBondContact O-N 3.44Å; K197-F201 WeakPolarHBondContact O-CB 3.37Å; K197-F201 PolarHBondContact O-N 3.31Å; K197-W340 HydrophobicContact CB-CH2 4.32Å; K197-W340 WeakPolarHBondContact O-CH2 3.17Å; K197-V342 HydrophobicContact CB-CG2 4.47Å |
| 198 | A | 97.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | L187 D194 A195 E196 F201 M202 I336 W340 V342 | L187-A198 HydrophobicContact CD1-CB 3.75Å; D194-A198 PolarHBondContact O-N 3.44Å; D194-A198 VanDerWaalsContact O-N 3.13Å; A195-A198 WeakPolarHBondContact O-CB 3.46Å; A195-A198 PolarHBondContact O-N 2.89Å; E196-A198 VanDerWaalsContact C-N 3.33Å; A198-F201 PolarHBondContact O-N 3.26Å; A198-M202 WeakPolarHBondContact O-CG 3.45Å; A198-M202 PolarHBondContact O-N 3.45Å; A198-I336 HydrophobicContact CB-CD1 3.76Å; A198-W340 HydrophobicContact CB-CZ3 4.36Å; A198-V342 HydrophobicContact CB-CG2 4.03Å |
| 199 | E | 97.3 | Very high | 95.6 | Very high | 38 Ų | 38 | 65.1 Ų | 65.1 | 18% | 0.178 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.7 | -51.9 | 176.1 | 175.6 | 157.3 | -158.5 | 0 | 0 | 111.9 | I186 A195 E196 F201 M202 M203 L209 K211 | I186-E199 HydrophobicContact CD1-CB 3.98Å; A195-E199 WeakPolarHBondContact O-CB 3.35Å; A195-E199 PolarHBondContact O-N 3.39Å; E196-E199 PolarHBondContact O-N 2.94Å; E199-F201 VanDerWaalsContact C-N 3.28Å; E199-F201 PolarHBondContact O-N 2.84Å; E199-M202 PolarHBondContact O-N 2.96Å; E199-M203 HydrophobicContact CG-CG 4.48Å; E199-M203 HydrophobicContact CG-SD 3.95Å; E199-M203 WeakPolarHBondContact O-CG 3.29Å; E199-M203 PolarHBondContact O-N 3.17Å; E199-L209 HydrophobicContact CB-CD1 4.27Å; E199-L209 HydrophobicContact CG-CD1 3.66Å; E199-K211 IonicContact OE1-NZ 2.65Å; E199-K211 PolarHBondContact OE1-NZ 3.08Å; E199-K211 IonicContact OE2-NZ 3.1Å |
| 200 | R | 97.4 | Very high | 96 | Very high | 134 Ų | 134 | 63.5 Ų | 63.5 | 51% | 0.506 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.2 | -39.6 | 177.1 | -75.1 | -173.6 | -66.8 | -97.7 | -3.6 | 112.3 | E196 K204 | E196-R200 WeakPolarHBondContact O-CB 3.4Å; E196-R200 WeakPolarHBondContact O-CG 3.49Å; E196-R200 PolarHBondContact O-N 3.43Å; E196-R200 IonicContact OE2-NH1 3.74Å; E196-R200 PolarHBondContact OE2-NH1 3.21Å; E196-R200 VanDerWaalsContact OE2-NH1 3.14Å; R200-K204 VanDerWaalsContact O-CB 3.27Å; R200-K204 WeakPolarHBondContact O-CB 3.47Å; R200-K204 PolarHBondContact O-N 2.93Å |
| 201 | F | 97.7 | Very high | 96.3 | Very high | 31 Ų | 31 | 67 Ų | 67 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.2 | -47.5 | 177.3 | 176.5 | -99.2 | 0 | 0 | 0 | 111.9 | M158 K197 A198 E199 K204 K205 I336 W340 | M158-F201 HydrophobicContact CE-CE1 4.06Å; M158-F201 HydrophobicContact CE-CZ 4.32Å; M158-F201 HydrophobicContact SD-CE1 4.14Å; K197-F201 WeakPolarHBondContact O-CB 3.37Å; K197-F201 PolarHBondContact O-N 3.31Å; A198-F201 PolarHBondContact O-N 3.26Å; E199-F201 VanDerWaalsContact C-N 3.28Å; E199-F201 PolarHBondContact O-N 2.84Å; F201-K204 PolarHBondContact O-N 2.84Å; F201-K205 HydrophobicContact CE1-CG 4.13Å; F201-K205 HydrophobicContact CE2-CG 4.21Å; F201-K205 HydrophobicContact CZ-CD 4.42Å; F201-K205 HydrophobicContact CZ-CG 3.97Å; F201-K205 VanDerWaalsContact O-CG 3.31Å; F201-K205 WeakPolarHBondContact O-CG 3.32Å; F201-K205 PolarHBondContact O-N 3.19Å; F201-K205 VanDerWaalsContact O-N 3.1Å; F201-I336 HydrophobicContact CD1-CB 4.1Å; F201-I336 HydrophobicContact CD1-CD1 4.15Å; F201-I336 HydrophobicContact CD1-CG2 3.94Å; F201-I336 HydrophobicContact CE1-CB 3.95Å; F201-I336 HydrophobicContact CE1-CG2 3.78Å; F201-W340 HydrophobicContact CB-CD2 4.15Å; F201-W340 HydrophobicContact CB-CE3 4.1Å; F201-W340 HydrophobicContact CB-CH2 3.73Å; F201-W340 HydrophobicContact CB-CZ2 3.76Å; F201-W340 HydrophobicContact CB-CZ3 3.89Å; F201-W340 AromaticContact CD1-CD2 3.69Å; F201-W340 HydrophobicContact CD1-CD2 3.69Å; F201-W340 AromaticContact CD1-CE3 3.47Å; F201-W340 HydrophobicContact CD1-CE3 3.47Å; F201-W340 VanDerWaalsContact CD1-CE3 3.47Å; F201-W340 HydrophobicContact CD1-CG 4.14Å; F201-W340 AromaticContact CD1-CZ3 3.97Å; F201-W340 HydrophobicContact CD1-CZ3 3.97Å; F201-W340 HydrophobicContact CD2-CB 4.46Å; F201-W340 AromaticContact CD2-CD1 3.65Å; F201-W340 AromaticContact CD2-CD2 3.61Å; F201-W340 HydrophobicContact CD2-CD2 3.61Å; F201-W340 AromaticContact CD2-CE2 3.64Å; F201-W340 HydrophobicContact CD2-CE3 4.23Å; F201-W340 AromaticContact CD2-CG 3.67Å; F201-W340 HydrophobicContact CD2-CG 3.67Å; F201-W340 HydrophobicContact CD2-CZ2 4.3Å; F201-W340 AromaticContact CD2-NE1 3.64Å; F201-W340 HydrophobicContact CE1-CB 3.82Å; F201-W340 AromaticContact CE1-CD2 3.92Å; F201-W340 HydrophobicContact CE1-CD2 3.92Å; F201-W340 AromaticContact CE1-CE3 3.88Å; F201-W340 HydrophobicContact CE1-CE3 3.88Å; F201-W340 AromaticContact CE1-CG 3.9Å; F201-W340 HydrophobicContact CE1-CG 3.9Å; F201-W340 HydrophobicContact CE2-CB 3.76Å; F201-W340 AromaticContact CE2-CD1 3.46Å; F201-W340 VanDerWaalsContact CE2-CD1 3.46Å; F201-W340 AromaticContact CE2-CD2 3.84Å; F201-W340 HydrophobicContact CE2-CD2 3.84Å; F201-W340 AromaticContact CE2-CG 3.4Å; F201-W340 HydrophobicContact CE2-CG 3.4Å; F201-W340 AromaticContact CE2-NE1 3.97Å; F201-W340 AromaticContact CG-CD2 3.52Å; F201-W340 HydrophobicContact CG-CD2 3.52Å; F201-W340 AromaticContact CG-CE2 3.71Å; F201-W340 AromaticContact CG-CE3 3.66Å; F201-W340 HydrophobicContact CG-CE3 3.66Å; F201-W340 HydrophobicContact CG-CG 4.03Å; F201-W340 HydrophobicContact CG-CH2 4.18Å; F201-W340 HydrophobicContact CG-CZ2 4.06Å; F201-W340 AromaticContact CG-CZ3 3.98Å; F201-W340 HydrophobicContact CG-CZ3 3.98Å; F201-W340 HydrophobicContact CZ-CB 3.39Å; F201-W340 AromaticContact CZ-CD2 3.99Å; F201-W340 HydrophobicContact CZ-CD2 3.99Å; F201-W340 HydrophobicContact CZ-CE3 4.41Å; F201-W340 AromaticContact CZ-CG 3.52Å; F201-W340 HydrophobicContact CZ-CG 3.52Å |
| 202 | M | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 178.1 | -72.7 | -169.3 | -72.7 | 0 | 0 | 111.9 | I151 I154 I186 A198 E199 K204 K205 G206 I207 L209 I336 | I151-M202 HydrophobicContact CD1-CE 3.89Å; I151-M202 HydrophobicContact CD1-SD 3.96Å; I151-M202 HydrophobicContact CG2-CE 4.39Å; I151-M202 HydrophobicContact CG2-SD 4.06Å; I154-M202 HydrophobicContact CG2-SD 4.05Å; I186-M202 HydrophobicContact CD1-CE 3.41Å; I186-M202 VanDerWaalsContact CD1-CE 3.41Å; A198-M202 WeakPolarHBondContact O-CG 3.45Å; A198-M202 PolarHBondContact O-N 3.45Å; E199-M202 PolarHBondContact O-N 2.96Å; M202-K204 PolarHBondContact O-N 2.92Å; M202-K205 CarbonylContact O-C 3.51Å; M202-K205 WeakPolarHBondContact O-CA 3.41Å; M202-K205 WeakPolarHBondContact O-CB 3.27Å; M202-K205 PolarHBondContact O-N 3.31Å; M202-G206 PolarHBondContact O-N 2.82Å; M202-I207 HydrophobicContact CB-CB 4.1Å; M202-I207 HydrophobicContact CB-CD1 4Å; M202-I207 HydrophobicContact CB-CG2 4.48Å; M202-I207 HydrophobicContact CG-CD1 3.93Å; M202-I207 WeakPolarHBondContact O-CB 3.26Å; M202-I207 PolarHBondContact O-N 3.49Å; M202-I207 HydrophobicContact SD-CD1 4.48Å; M202-L209 HydrophobicContact CE-CD1 4.1Å; M202-L209 HydrophobicContact CE-CD2 4.06Å; M202-L209 HydrophobicContact SD-CD2 4.23Å; M202-I336 HydrophobicContact CG-CD1 3.79Å; M202-I336 HydrophobicContact CG-CG2 3.97Å; M202-I336 HydrophobicContact SD-CD1 4.19Å |
| 203 | M | 96.8 | Very high | 96.7 | Very high | 115 Ų | 115 | 61.7 Ų | 61.7 | 57% | 0.567 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -60.9 | -43.7 | 176.4 | -69.8 | 177.8 | 70.8 | 0 | 0 | 111.8 | E199 K205 G206 L209 | E199-M203 HydrophobicContact CG-CG 4.48Å; E199-M203 HydrophobicContact CG-SD 3.95Å; E199-M203 WeakPolarHBondContact O-CG 3.29Å; E199-M203 PolarHBondContact O-N 3.17Å; M203-K205 PolarHBondContact O-N 2.76Å; M203-K205 VanDerWaalsContact O-N 3.16Å; M203-G206 PolarHBondContact O-N 2.92Å; M203-L209 HydrophobicContact CG-CD1 4.17Å |
| 204 | K | 97.4 | Very high | 96.8 | Very high | 182 Ų | 182 | 56.1 Ų | 56.1 | 79% | 0.791 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -59.9 | -25.8 | 174.9 | -178.6 | 176 | -179.5 | 175.4 | 0 | 112.6 | R200 F201 M202 G206 | R200-K204 VanDerWaalsContact O-CB 3.27Å; R200-K204 WeakPolarHBondContact O-CB 3.47Å; R200-K204 PolarHBondContact O-N 2.93Å; F201-K204 PolarHBondContact O-N 2.84Å; M202-K204 PolarHBondContact O-N 2.92Å; K204-G206 VanDerWaalsContact C-N 3.34Å |
| 205 | K | 95.7 | Very high | 96.9 | Very high | 102 Ų | 102 | 56.8 Ų | 56.8 | 44% | 0.443 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 3.8 | 177.4 | -67 | -71.1 | -175.4 | 179.8 | 0 | 113.8 | M158 F201 M202 M203 I207 | M158-K205 HydrophobicContact CG-CB 4.15Å; M158-K205 HydrophobicContact SD-CB 3.43Å; M158-K205 WeakPolarHBondContact SD-CB 3.23Å; M158-K205 HydrophobicContact SD-CD 3.93Å; M158-K205 HydrophobicContact SD-CG 3.47Å; M158-K205 WeakPolarHBondContact SD-CG 3.45Å; F201-K205 HydrophobicContact CE1-CG 4.13Å; F201-K205 HydrophobicContact CE2-CG 4.21Å; F201-K205 HydrophobicContact CZ-CD 4.42Å; F201-K205 HydrophobicContact CZ-CG 3.97Å; F201-K205 VanDerWaalsContact O-CG 3.31Å; F201-K205 WeakPolarHBondContact O-CG 3.32Å; F201-K205 PolarHBondContact O-N 3.19Å; F201-K205 VanDerWaalsContact O-N 3.1Å; M202-K205 CarbonylContact O-C 3.51Å; M202-K205 WeakPolarHBondContact O-CA 3.41Å; M202-K205 WeakPolarHBondContact O-CB 3.27Å; M202-K205 PolarHBondContact O-N 3.31Å; M203-K205 PolarHBondContact O-N 2.76Å; M203-K205 VanDerWaalsContact O-N 3.16Å; K205-I207 VanDerWaalsContact C-N 3.35Å |
| 206 | G | 95.6 | Very high | 97 | Very high | 52 Ų | 52 | 59.6 Ų | 59.6 | 54% | 0.536 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 17.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | M202 M203 K204 | M202-G206 PolarHBondContact O-N 2.82Å; M203-G206 PolarHBondContact O-N 2.92Å; K204-G206 VanDerWaalsContact C-N 3.34Å |
| 207 | I | 98.2 | Very high | 97 | Very high | 5 Ų | 5 | 59.5 Ų | 59.5 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | trans | -77.2 | 129.7 | 172.1 | -59.2 | 173.3 | 0 | 0 | 0 | 108.2 | I154 M158 L177 V179 M202 K205 L209 | I154-I207 HydrophobicContact CG1-CD1 4.18Å; I154-I207 HydrophobicContact CG1-CG2 3.83Å; I154-I207 HydrophobicContact CG2-CD1 4.26Å; M158-I207 HydrophobicContact CB-CD1 4.07Å; M158-I207 HydrophobicContact CG-CD1 4.22Å; M158-I207 HydrophobicContact SD-CD1 4.1Å; L177-I207 HydrophobicContact CB-CG1 4.36Å; V179-I207 HydrophobicContact CG2-CG2 4.17Å; M202-I207 HydrophobicContact CB-CB 4.1Å; M202-I207 HydrophobicContact CB-CD1 4Å; M202-I207 HydrophobicContact CB-CG2 4.48Å; M202-I207 HydrophobicContact CG-CD1 3.93Å; M202-I207 WeakPolarHBondContact O-CB 3.26Å; M202-I207 PolarHBondContact O-N 3.49Å; M202-I207 HydrophobicContact SD-CD1 4.48Å; K205-I207 VanDerWaalsContact C-N 3.35Å; I207-L209 HydrophobicContact CG2-CD2 4.11Å | ||
| 208 | Q | 97.9 | Very high | 97.1 | Very high | 92 Ų | 92 | 57 Ų | 57 | 43% | 0.43 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 128.2 | 177.6 | -59.1 | -174.9 | 19 | 0 | 0 | 109.7 | L177 M178 V179 | L177-Q208 PolarHBondContact O-N 3.36Å; M178-Q208 CarbonylContact C-O 3.56Å; M178-Q208 VanDerWaalsContact CA-O 3.32Å; M178-Q208 WeakPolarHBondContact CA-O 3.5Å; M178-Q208 HydrophobicContact CB-CB 4.32Å; M178-Q208 HydrophobicContact CE-CB 4.26Å; M178-Q208 HydrophobicContact CG-CB 4.12Å; V179-Q208 PolarHBondContact N-O 3.41Å |
| 209 | L | 97.8 | Very high | 97.1 | Very high | 36 Ų | 36 | 58 Ų | 58 | 19% | 0.188 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 108.5 | 178.4 | -58.6 | 177.7 | 0 | 0 | 0 | 108.9 | V179 E199 M202 M203 I207 | V179-L209 HydrophobicContact CB-CD2 3.71Å; V179-L209 HydrophobicContact CG2-CD2 3.86Å; E199-L209 HydrophobicContact CB-CD1 4.27Å; E199-L209 HydrophobicContact CG-CD1 3.66Å; M202-L209 HydrophobicContact CE-CD1 4.1Å; M202-L209 HydrophobicContact CE-CD2 4.06Å; M202-L209 HydrophobicContact SD-CD2 4.23Å; M203-L209 HydrophobicContact CG-CD1 4.17Å; I207-L209 HydrophobicContact CG2-CD2 4.11Å |
| 210 | K | 97 | Very high | 97 | Very high | 64 Ų | 64 | 58.8 Ų | 58.8 | 28% | 0.278 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 94.1 | 177.2 | -161.1 | 167.9 | -179.5 | 170.5 | 0 | 109.4 | V179 V180 E181 A213 L225 S229 I231 | V179-K210 PolarHBondContact O-N 2.96Å; V180-K210 WeakPolarHBondContact CA-O 3.43Å; V180-K210 HydrophobicContact CG2-CB 4.42Å; E181-K210 PolarHBondContact N-O 3.34Å; K210-A213 HydrophobicContact CB-CB 4.49Å; K210-A213 HydrophobicContact CD-CB 4.25Å; K210-A213 HydrophobicContact CG-CB 3.73Å; K210-L225 HydrophobicContact CD-CD1 3.58Å; K210-S229 PolarHBondContact NZ-OG 2.73Å; K210-S229 VanDerWaalsContact NZ-OG 3.11Å; K210-I231 HydrophobicContact CD-CD1 4.27Å |
| 211 | K | 96.8 | Very high | 97 | Very high | 80 Ų | 80 | 56.4 Ų | 56.4 | 35% | 0.348 | 31% | 0.309 | S | S | . | . | trans | -91.7 | 157.4 | -178.3 | -54.2 | 179.9 | -59.2 | -165.5 | 0 | 110.5 | E181 P184 I186 E199 A213 | E181-K211 CarbonylContact O-C 3.54Å; P184-K211 WeakPolarHBondContact O-CD 3.3Å; P184-K211 WeakPolarHBondContact O-CE 3.34Å; I186-K211 HydrophobicContact CG2-CD 4.1Å; I186-K211 HydrophobicContact CG2-CG 4.24Å; E199-K211 IonicContact OE1-NZ 2.65Å; E199-K211 PolarHBondContact OE1-NZ 3.08Å; E199-K211 IonicContact OE2-NZ 3.1Å; K211-A213 PolarHBondContact O-N 3.47Å | ||
| 212 | G | 96.5 | Very high | 97 | Very high | 48 Ų | 48 | 58 Ų | 58 | 50% | 0.495 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 63.8 | 25 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E181 A182 L183 P214 | E181-G212 PolarHBondContact O-N 3.46Å; A182-G212 WeakPolarHBondContact O-CA 3.3Å; L183-G212 PolarHBondContact O-N 3.32Å; G212-P214 WeakPolarHBondContact O-CD 3.46Å |
| 213 | A | 96.2 | Very high | 97 | Very high | 8 Ų | 8 | 58 Ų | 58 | 7% | 0.066 | 32% | 0.315 | C | S | . | . | trans | -127 | 76.2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V180 E181 K210 K211 I215 L225 | V180-A213 HydrophobicContact CG1-CB 4.34Å; V180-A213 WeakPolarHBondContact CG1-O 3.27Å; E181-A213 PolarHBondContact O-N 3.5Å; K210-A213 HydrophobicContact CB-CB 4.49Å; K210-A213 HydrophobicContact CD-CB 4.25Å; K210-A213 HydrophobicContact CG-CB 3.73Å; K211-A213 PolarHBondContact O-N 3.47Å; A213-I215 PolarHBondContact O-N 3.46Å; A213-L225 HydrophobicContact CB-CD1 4.21Å | ||
| 214 | P | 96.2 | Very high | 97 | Very high | 42 Ų | 42 | 53.4 Ų | 53.4 | 27% | 0.273 | 29% | 0.293 | S | S | . | . | trans | -61.3 | 135 | 175.9 | -17.8 | 30.2 | 0 | 0 | 0 | 111 | A182 G212 L225 K226 | A182-P214 HydrophobicContact CB-CB 4.08Å; A182-P214 HydrophobicContact CB-CG 3.98Å; G212-P214 WeakPolarHBondContact O-CD 3.46Å; P214-L225 CarbonylContact O-C 3.56Å; P214-L225 WeakPolarHBondContact O-CA 3.36Å; P214-K226 HydrophobicContact CB-CB 4.3Å; P214-K226 HydrophobicContact CG-CB 4.32Å; P214-K226 HydrophobicContact CG-CD 4.08Å; P214-K226 PolarHBondContact O-N 2.89Å | ||
| 215 | I | 97.3 | Very high | 97 | Very high | 15 Ų | 15 | 44.9 Ų | 44.9 | 8% | 0.077 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 131.5 | 169.4 | -58.8 | -179.7 | 0 | 0 | 0 | 108.1 | T96 C144 V180 A213 V218 I223 V224 L225 L236 W238 | T96-I215 HydrophobicContact CG2-CG2 4.36Å; C144-I215 HydrophobicContact CB-CD1 3.74Å; V180-I215 HydrophobicContact CB-CD1 4.36Å; V180-I215 HydrophobicContact CG1-CD1 4.12Å; V180-I215 HydrophobicContact CG1-CG1 3.78Å; A213-I215 PolarHBondContact O-N 3.46Å; I215-V218 HydrophobicContact CG2-CG2 3.83Å; I215-I223 HydrophobicContact CD1-CD1 3.78Å; I215-I223 HydrophobicContact CG1-CD1 4.21Å; I215-I223 HydrophobicContact CG2-CB 4.38Å; I215-V224 WeakPolarHBondContact CA-O 3.29Å; I215-L225 HydrophobicContact CG1-CD2 3.85Å; I215-L236 HydrophobicContact CD1-CD1 3.9Å; I215-L236 HydrophobicContact CD1-CD2 4.41Å; I215-W238 HydrophobicContact CB-CZ3 4.22Å; I215-W238 HydrophobicContact CD1-CZ3 4.17Å; I215-W238 HydrophobicContact CG2-CZ3 4.37Å |
| 216 | T | 96.7 | Very high | 97 | Very high | 62 Ų | 62 | 47.6 Ų | 47.6 | 38% | 0.38 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -22.4 | 179.7 | 52.4 | 0 | 0 | 0 | 0 | 113.4 | P97 V224 K226 | P97-T216 WeakPolarHBondContact CD-O 3.31Å; T216-V224 PolarHBondContact N-O 2.89Å; T216-V224 PolarHBondContact OG1-O 3.31Å; T216-K226 HydrophobicContact CG2-CB 3.94Å; T216-K226 HydrophobicContact CG2-CG 4.41Å |
| 217 | E | 97.4 | Very high | 97 | Very high | 85 Ų | 85 | 50.5 Ų | 50.5 | 40% | 0.397 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 146.5 | 178.6 | -178.1 | 179.1 | -174.8 | 0 | 0 | 109.9 | T219 I223 V224 | E217-T219 HydrophobicContact CG-CG2 4.44Å; E217-I223 WeakPolarHBondContact O-CA 3.48Å; E217-V224 HydrophobicContact CB-CB 3.97Å; E217-V224 HydrophobicContact CB-CG2 3.94Å; E217-V224 HydrophobicContact CG-CG2 4.43Å; E217-V224 PolarHBondContact N-O 3.49Å; E217-V224 PolarHBondContact O-N 3.43Å |
| 218 | V | 97.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.024 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 125.3 | 176.6 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | P97 G98 V99 H102 I215 I223 L236 | P97-V218 PolarHBondContact O-N 3.47Å; G98-V218 VanDerWaalsContact CA-O 3.31Å; G98-V218 WeakPolarHBondContact CA-O 3.28Å; V99-V218 HydrophobicContact CG2-CB 4.46Å; V99-V218 HydrophobicContact CG2-CG2 3.68Å; H102-V218 HydrophobicContact CB-CG1 3.86Å; I215-V218 HydrophobicContact CG2-CG2 3.83Å; V218-I223 HydrophobicContact CB-CG2 4.45Å; V218-I223 HydrophobicContact CG1-CG2 4.1Å; V218-I223 HydrophobicContact CG2-CG2 4.23Å; V218-L236 HydrophobicContact CB-CD2 4.09Å; V218-L236 HydrophobicContact CG1-CB 4.47Å; V218-L236 HydrophobicContact CG1-CD2 3.53Å; V218-L236 HydrophobicContact CG2-CD2 3.32Å |
| 219 | T | 97.5 | Very high | 96.7 | Very high | 23 Ų | 23 | 50.2 Ų | 50.2 | 14% | 0.141 | 29% | 0.289 | C | S | . | . | trans | -112.2 | -177.2 | 172.6 | 75.1 | 0 | 0 | 0 | 0 | 110.3 | H102 E217 D221 Y222 | H102-T219 WeakPolarHBondContact CB-O 3.49Å; E217-T219 HydrophobicContact CG-CG2 4.44Å; T219-D221 PolarHBondContact O-N 3.39Å; T219-D221 PolarHBondContact OG1-N 2.9Å; T219-D221 PolarHBondContact OG1-OD1 2.74Å; T219-Y222 HydrophobicContact CG2-CD2 4.13Å; T219-Y222 HydrophobicContact CG2-CE1 4.11Å; T219-Y222 HydrophobicContact CG2-CE2 3.58Å; T219-Y222 PolarHBondContact N-O 2.81Å; T219-Y222 VanDerWaalsContact OG1-CD1 3.3Å; T219-Y222 WeakPolarHBondContact OG1-CD1 3.47Å; T219-Y222 WeakPolarHBondContact OG1-CE1 3.37Å; T219-Y222 PolarHBondContact OG1-N 3.5Å; T219-Y222 PolarHBondContact OG1-O 3.35Å | ||
| 220 | A | 96.2 | Very high | 96.7 | Very high | 54 Ų | 54 | 53.9 Ų | 53.9 | 45% | 0.446 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -70.2 | -19.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N234 | A220-N234 PolarHBondContact O-ND2 2.89Š|
| 221 | D | 96 | Very high | 96.7 | Very high | 85 Ų | 85 | 51.5 Ų | 51.5 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -131.2 | -14.9 | -166.9 | 61 | -38 | 0 | 0 | 0 | 114.2 | T219 P232 T233 | T219-D221 PolarHBondContact O-N 3.39Å; T219-D221 PolarHBondContact OG1-N 2.9Å; T219-D221 PolarHBondContact OG1-OD1 2.74Å; D221-P232 WeakPolarHBondContact O-CA 3.34Å; D221-T233 CarbonylContact C-O 3.48Å; D221-T233 WeakPolarHBondContact CA-O 3.44Å; D221-T233 CarbonylContact O-C 3.56Å; D221-T233 PolarHBondContact O-N 2.9Å; D221-T233 VanDerWaalsContact O-O 3.09Å |
| 222 | Y | 97.5 | Very high | 96.7 | Very high | 64 Ų | 64 | 51.3 Ų | 51.3 | 25% | 0.251 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 168.7 | 173.4 | 60.5 | -92.3 | 0 | 0 | 0 | 112.9 | T219 V224 Q230 I231 T233 | T219-Y222 HydrophobicContact CG2-CD2 4.13Å; T219-Y222 HydrophobicContact CG2-CE1 4.11Å; T219-Y222 HydrophobicContact CG2-CE2 3.58Å; T219-Y222 PolarHBondContact N-O 2.81Å; T219-Y222 VanDerWaalsContact OG1-CD1 3.3Å; T219-Y222 WeakPolarHBondContact OG1-CD1 3.47Å; T219-Y222 WeakPolarHBondContact OG1-CE1 3.37Å; T219-Y222 PolarHBondContact OG1-N 3.5Å; T219-Y222 PolarHBondContact OG1-O 3.35Å; Y222-V224 HydrophobicContact CD2-CG2 3.93Å; Y222-V224 HydrophobicContact CE2-CG2 3.67Å; Y222-Q230 HydrophobicContact CD2-CB 4.42Å; Y222-Q230 HydrophobicContact CD2-CG 4.14Å; Y222-Q230 HydrophobicContact CE2-CG 4.47Å; Y222-I231 CarbonylContact C-O 3.59Å; Y222-I231 VanDerWaalsContact CA-O 3.25Å; Y222-I231 WeakPolarHBondContact CA-O 3.21Å; Y222-I231 WeakPolarHBondContact CB-O 3.37Å; Y222-T233 PolarHBondContact N-O 3.33Å |
| 223 | I | 97.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 146 | 166.6 | 60.9 | 169.5 | 0 | 0 | 0 | 110 | V142 V180 I215 E217 V218 L225 Q230 I231 T233 L236 | V142-I223 HydrophobicContact CG1-CD1 3.85Å; V180-I223 HydrophobicContact CG2-CD1 4.36Å; I215-I223 HydrophobicContact CD1-CD1 3.78Å; I215-I223 HydrophobicContact CG1-CD1 4.21Å; I215-I223 HydrophobicContact CG2-CB 4.38Å; E217-I223 WeakPolarHBondContact O-CA 3.48Å; V218-I223 HydrophobicContact CB-CG2 4.45Å; V218-I223 HydrophobicContact CG1-CG2 4.1Å; V218-I223 HydrophobicContact CG2-CG2 4.23Å; I223-L225 HydrophobicContact CD1-CD2 4.29Å; I223-Q230 CarbonylContact O-C 3.44Å; I223-Q230 VanDerWaalsContact O-CA 3.26Å; I223-Q230 WeakPolarHBondContact O-CA 3.19Å; I223-I231 HydrophobicContact CD1-CB 4.16Å; I223-I231 HydrophobicContact CD1-CD1 3.83Å; I223-I231 HydrophobicContact CG1-CB 3.68Å; I223-I231 HydrophobicContact CG1-CD1 4.16Å; I223-I231 HydrophobicContact CG1-CG1 4.4Å; I223-I231 HydrophobicContact CG1-CG2 4.47Å; I223-I231 PolarHBondContact N-O 2.6Å; I223-I231 PolarHBondContact O-N 3.12Å; I223-T233 HydrophobicContact CG1-CG2 4.28Å; I223-T233 HydrophobicContact CG2-CG2 3.98Å; I223-L236 HydrophobicContact CD1-CD1 4.48Å; I223-L236 HydrophobicContact CG2-CB 4.44Å; I223-L236 HydrophobicContact CG2-CD1 4.33Å; I223-L236 HydrophobicContact CG2-CD2 3.98Å; I223-L236 HydrophobicContact CG2-CG 4.49Å |
| 224 | V | 98 | Very high | 96.9 | Very high | 18 Ų | 18 | 51.2 Ų | 51.2 | 11% | 0.109 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 133.3 | 176.3 | -170 | 0 | 0 | 0 | 0 | 109.1 | I215 T216 E217 Y222 Q230 | I215-V224 WeakPolarHBondContact CA-O 3.29Å; T216-V224 PolarHBondContact N-O 2.89Å; T216-V224 PolarHBondContact OG1-O 3.31Å; E217-V224 HydrophobicContact CB-CB 3.97Å; E217-V224 HydrophobicContact CB-CG2 3.94Å; E217-V224 HydrophobicContact CG-CG2 4.43Å; E217-V224 PolarHBondContact N-O 3.49Å; E217-V224 PolarHBondContact O-N 3.43Å; Y222-V224 HydrophobicContact CD2-CG2 3.93Å; Y222-V224 HydrophobicContact CE2-CG2 3.67Å; V224-Q230 HydrophobicContact CG2-CG 4.28Å |
| 225 | L | 97.5 | Very high | 97 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 161.6 | 175.3 | -53.8 | -178.2 | 0 | 0 | 0 | 110.9 | V180 K210 A213 P214 I215 I223 D227 G228 S229 I231 | V180-L225 HydrophobicContact CG1-CD2 4Å; K210-L225 HydrophobicContact CD-CD1 3.58Å; A213-L225 HydrophobicContact CB-CD1 4.21Å; P214-L225 CarbonylContact O-C 3.56Å; P214-L225 WeakPolarHBondContact O-CA 3.36Å; I215-L225 HydrophobicContact CG1-CD2 3.85Å; I223-L225 HydrophobicContact CD1-CD2 4.29Å; L225-D227 WeakPolarHBondContact CB-OD1 3.37Å; L225-D227 PolarHBondContact O-N 2.6Å; L225-D227 VanDerWaalsContact O-N 3.09Å; L225-G228 WeakPolarHBondContact O-CA 3.33Å; L225-G228 PolarHBondContact O-N 3.36Å; L225-S229 WeakPolarHBondContact CD1-OG 3.29Å; L225-S229 PolarHBondContact N-O 3.45Å; L225-I231 HydrophobicContact CD1-CD1 3.72Å; L225-I231 HydrophobicContact CD1-CG1 4.38Å; L225-I231 HydrophobicContact CD2-CD1 4.18Å; L225-I231 HydrophobicContact CG-CD1 4.17Å |
| 226 | K | 95.7 | Very high | 97.1 | Very high | 159 Ų | 159 | 48.7 Ų | 48.7 | 69% | 0.691 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -26 | 179.8 | -170.7 | 176.8 | 179.7 | -178.6 | 0 | 114.7 | P214 T216 G228 | P214-K226 HydrophobicContact CB-CB 4.3Å; P214-K226 HydrophobicContact CG-CB 4.32Å; P214-K226 HydrophobicContact CG-CD 4.08Å; P214-K226 PolarHBondContact O-N 2.89Å; T216-K226 HydrophobicContact CG2-CB 3.94Å; T216-K226 HydrophobicContact CG2-CG 4.41Å; K226-G228 PolarHBondContact O-N 2.83Å |
| 227 | D | 94.8 | Very high | 97.1 | Very high | 113 Ų | 113 | 45.8 Ų | 45.8 | 60% | 0.604 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 0.8 | 175.9 | 66.3 | 1.5 | 0 | 0 | 0 | 113.5 | L225 S229 | L225-D227 WeakPolarHBondContact CB-OD1 3.37Å; L225-D227 PolarHBondContact O-N 2.6Å; L225-D227 VanDerWaalsContact O-N 3.09Å; D227-S229 VanDerWaalsContact C-N 3.28Å; D227-S229 VanDerWaalsContact CG-OG 3.31Å; D227-S229 VanDerWaalsContact OD1-CB 3.23Å; D227-S229 WeakPolarHBondContact OD1-CB 3.31Å; D227-S229 PolarHBondContact OD1-N 3.16Å; D227-S229 PolarHBondContact OD1-OG 3.09Å; D227-S229 PolarHBondContact OD2-OG 2.57Å |
| 228 | G | 93.7 | Very high | 97.1 | Very high | 55 Ų | 55 | 42.2 Ų | 42.2 | 57% | 0.567 | 24% | 0.238 | S | C | * | . | S | Bend | trans | 83.8 | -5.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L225 K226 | L225-G228 WeakPolarHBondContact O-CA 3.33Å; L225-G228 PolarHBondContact O-N 3.36Å; K226-G228 PolarHBondContact O-N 2.83Å |
| 229 | S | 95.8 | Very high | 97 | Very high | 37 Ų | 37 | 43.1 Ų | 43.1 | 26% | 0.259 | 24% | 0.244 | S | C | . | . | trans | -72 | 144.9 | 176 | 68.2 | 0 | 0 | 0 | 0 | 111.4 | K210 L225 D227 | K210-S229 PolarHBondContact NZ-OG 2.73Å; K210-S229 VanDerWaalsContact NZ-OG 3.11Å; L225-S229 WeakPolarHBondContact CD1-OG 3.29Å; L225-S229 PolarHBondContact N-O 3.45Å; D227-S229 VanDerWaalsContact C-N 3.28Å; D227-S229 VanDerWaalsContact CG-OG 3.31Å; D227-S229 VanDerWaalsContact OD1-CB 3.23Å; D227-S229 WeakPolarHBondContact OD1-CB 3.31Å; D227-S229 PolarHBondContact OD1-N 3.16Å; D227-S229 PolarHBondContact OD1-OG 3.09Å; D227-S229 PolarHBondContact OD2-OG 2.57Å | ||
| 230 | Q | 97.1 | Very high | 96.6 | Very high | 112 Ų | 112 | 43 Ų | 43 | 52% | 0.523 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 142.1 | 176.7 | -64.9 | -177 | -12.2 | 0 | 0 | 110.5 | Y222 I223 V224 | Y222-Q230 HydrophobicContact CD2-CB 4.42Å; Y222-Q230 HydrophobicContact CD2-CG 4.14Å; Y222-Q230 HydrophobicContact CE2-CG 4.47Å; I223-Q230 CarbonylContact O-C 3.44Å; I223-Q230 VanDerWaalsContact O-CA 3.26Å; I223-Q230 WeakPolarHBondContact O-CA 3.19Å; V224-Q230 HydrophobicContact CG2-CG 4.28Å |
| 231 | I | 97.9 | Very high | 96.2 | Very high | 15 Ų | 15 | 42 Ų | 42 | 8% | 0.077 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 111.9 | 171.1 | -61.6 | 158.5 | 0 | 0 | 0 | 107.5 | T140 V142 M178 V180 K210 Y222 I223 L225 T233 | T140-I231 HydrophobicContact CG2-CG2 4.48Å; V142-I231 HydrophobicContact CG2-CG2 4.12Å; M178-I231 HydrophobicContact CE-CD1 4.43Å; M178-I231 HydrophobicContact CE-CG2 4.34Å; M178-I231 HydrophobicContact SD-CD1 3.49Å; M178-I231 WeakPolarHBondContact SD-CD1 3.11Å; M178-I231 HydrophobicContact SD-CG1 4.24Å; M178-I231 HydrophobicContact SD-CG2 4.16Å; V180-I231 HydrophobicContact CG2-CD1 4.12Å; K210-I231 HydrophobicContact CD-CD1 4.27Å; Y222-I231 CarbonylContact C-O 3.59Å; Y222-I231 VanDerWaalsContact CA-O 3.25Å; Y222-I231 WeakPolarHBondContact CA-O 3.21Å; Y222-I231 WeakPolarHBondContact CB-O 3.37Å; I223-I231 HydrophobicContact CD1-CB 4.16Å; I223-I231 HydrophobicContact CD1-CD1 3.83Å; I223-I231 HydrophobicContact CG1-CB 3.68Å; I223-I231 HydrophobicContact CG1-CD1 4.16Å; I223-I231 HydrophobicContact CG1-CG1 4.4Å; I223-I231 HydrophobicContact CG1-CG2 4.47Å; I223-I231 PolarHBondContact N-O 2.6Å; I223-I231 PolarHBondContact O-N 3.12Å; L225-I231 HydrophobicContact CD1-CD1 3.72Å; L225-I231 HydrophobicContact CD1-CG1 4.38Å; L225-I231 HydrophobicContact CD2-CD1 4.18Å; L225-I231 HydrophobicContact CG-CD1 4.17Å; I231-T233 PolarHBondContact O-N 3.24Å |
| 232 | P | 98 | Very high | 95.9 | Very high | 76 Ų | 76 | 39.7 Ų | 39.7 | 49% | 0.494 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 122.2 | 173.1 | -21.8 | 33.6 | 0 | 0 | 0 | 110.7 | A137 D221 | A137-P232 HydrophobicContact CB-CB 3.73Å; D221-P232 WeakPolarHBondContact O-CA 3.34Å |
| 233 | T | 98.3 | Very high | 95.7 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | trans | -162.2 | 140.7 | 177.8 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | A137 T140 V142 D221 Y222 I223 I231 T235 | A137-T233 WeakPolarHBondContact O-CA 3.47Å; T140-T233 PolarHBondContact O-OG1 3.38Å; V142-T233 HydrophobicContact CB-CG2 4.39Å; V142-T233 HydrophobicContact CG2-CG2 3.7Å; D221-T233 CarbonylContact C-O 3.48Å; D221-T233 WeakPolarHBondContact CA-O 3.44Å; D221-T233 CarbonylContact O-C 3.56Å; D221-T233 PolarHBondContact O-N 2.9Å; D221-T233 VanDerWaalsContact O-O 3.09Å; Y222-T233 PolarHBondContact N-O 3.33Å; I223-T233 HydrophobicContact CG1-CG2 4.28Å; I223-T233 HydrophobicContact CG2-CG2 3.98Å; I231-T233 PolarHBondContact O-N 3.24Å; T233-T235 PolarHBondContact OG1-N 3.48Å; T233-T235 PolarHBondContact OG1-O 2.82Å | ||
| 234 | N | 97.8 | Very high | 95.4 | Very high | 50 Ų | 50 | 38.5 Ų | 38.5 | 27% | 0.267 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -98 | 2.1 | 168.3 | -61.7 | 87.2 | 0 | 0 | 0 | 112.4 | H118 T122 A137 M138 A220 | H118-N234 PolarHBondContact CE1-O 3.47Å; H118-N234 VanDerWaalsContact CE1-O 3.3Å; H118-N234 PolarHBondContact NE2-O 2.83Å; T122-N234 HydrophobicContact CG2-CB 4.45Å; A137-N234 PolarHBondContact O-N 3.06Å; M138-N234 WeakPolarHBondContact CA-OD1 3.42Å; M138-N234 WeakPolarHBondContact CG-OD1 3.36Å; M138-N234 PolarHBondContact N-OD1 3.32Å; A220-N234 PolarHBondContact O-ND2 2.89Å |
| 235 | T | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 101.7 | -174.8 | -52 | 0 | 0 | 0 | 0 | 110.4 | H118 I119 F141 V142 T233 I237 | H118-T235 PolarHBondContact CD2-OG1 3.26Å; H118-T235 PolarHBondContact NE2-OG1 2.77Å; I119-T235 HydrophobicContact CG1-CG2 4.26Å; F141-T235 HydrophobicContact CD1-CG2 4.11Å; V142-T235 PolarHBondContact N-O 3.29Å; T233-T235 PolarHBondContact OG1-N 3.48Å; T233-T235 PolarHBondContact OG1-O 2.82Å; T235-I237 HydrophobicContact CG2-CG1 4.39Å |
| 236 | L | 98.3 | Very high | 94.9 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 116.2 | 168.3 | 179.2 | 69.1 | 0 | 0 | 0 | 109.9 | F104 V142 C144 I215 V218 I223 W238 | F104-L236 PolarHBondContact N-O 3.07Å; V142-L236 HydrophobicContact CB-CD1 3.96Å; V142-L236 HydrophobicContact CG1-CD1 3.73Å; V142-L236 CarbonylContact O-C 3.49Å; V142-L236 WeakPolarHBondContact O-CA 3.41Å; C144-L236 HydrophobicContact CB-CD1 4.03Å; I215-L236 HydrophobicContact CD1-CD1 3.9Å; I215-L236 HydrophobicContact CD1-CD2 4.41Å; V218-L236 HydrophobicContact CB-CD2 4.09Å; V218-L236 HydrophobicContact CG1-CB 4.47Å; V218-L236 HydrophobicContact CG1-CD2 3.53Å; V218-L236 HydrophobicContact CG2-CD2 3.32Å; I223-L236 HydrophobicContact CD1-CD1 4.48Å; I223-L236 HydrophobicContact CG2-CB 4.44Å; I223-L236 HydrophobicContact CG2-CD1 4.33Å; I223-L236 HydrophobicContact CG2-CD2 3.98Å; I223-L236 HydrophobicContact CG2-CG 4.49Å; L236-W238 HydrophobicContact CD2-CE3 4.08Å |
| 237 | I | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 113.4 | 170.6 | -53.3 | 175.1 | 0 | 0 | 0 | 108.4 | F104 L106 I115 V142 V143 C144 M153 L157 T235 T239 | F104-I237 HydrophobicContact CB-CG1 4.48Å; F104-I237 CarbonylContact O-C 3.54Å; F104-I237 VanDerWaalsContact O-CA 3.25Å; F104-I237 WeakPolarHBondContact O-CA 3.32Å; L106-I237 HydrophobicContact CB-CG2 4.39Å; I115-I237 HydrophobicContact CD1-CD1 4.5Å; I115-I237 HydrophobicContact CD1-CG1 4.5Å; I115-I237 HydrophobicContact CD1-CG2 3.97Å; I115-I237 HydrophobicContact CG2-CD1 3.86Å; V142-I237 PolarHBondContact O-N 3.32Å; V143-I237 CarbonylContact C-O 3.51Å; V143-I237 WeakPolarHBondContact CA-O 3.34Å; V143-I237 HydrophobicContact CG2-CB 4.27Å; V143-I237 HydrophobicContact CG2-CD1 4.41Å; C144-I237 PolarHBondContact N-O 2.79Å; M153-I237 HydrophobicContact CE-CD1 4.01Å; M153-I237 HydrophobicContact CG-CD1 3.76Å; M153-I237 HydrophobicContact CG-CG2 4.33Å; M153-I237 HydrophobicContact SD-CD1 4.21Å; L157-I237 HydrophobicContact CD1-CD1 4.12Å; T235-I237 HydrophobicContact CG2-CG1 4.39Å; I237-T239 HydrophobicContact CG2-CG2 4.06Å |
| 238 | W | 97.5 | Very high | 94.5 | Very high | 10 Ų | 10 | 30 Ų | 30 | 4% | 0.038 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 108.8 | -179 | -168.2 | -88.5 | 0 | 0 | 0 | 111.5 | N92 F94 T96 V99 F104 C144 I215 L236 A240 | N92-W238 PolarHBondContact O-NE1 3.45Å; F94-W238 HydrophobicContact CD2-CZ2 4.13Å; T96-W238 HydrophobicContact CG2-CH2 4.24Å; V99-W238 HydrophobicContact CG1-CB 4.25Å; V99-W238 HydrophobicContact CG1-CD2 3.79Å; V99-W238 HydrophobicContact CG1-CE3 4.09Å; V99-W238 HydrophobicContact CG1-CG 3.87Å; V99-W238 HydrophobicContact CG2-CD2 4.2Å; V99-W238 HydrophobicContact CG2-CE3 3.76Å; V99-W238 HydrophobicContact CG2-CH2 3.96Å; V99-W238 HydrophobicContact CG2-CZ2 4.38Å; V99-W238 HydrophobicContact CG2-CZ3 3.63Å; F104-W238 PolarHBondContact O-N 3.33Å; C144-W238 HydrophobicContact CB-CD2 4.29Å; C144-W238 HydrophobicContact CB-CE3 3.72Å; C144-W238 HydrophobicContact CB-CZ3 4.15Å; C144-W238 VanDerWaalsContact SG-CZ3 3.52Å; I215-W238 HydrophobicContact CB-CZ3 4.22Å; I215-W238 HydrophobicContact CD1-CZ3 4.17Å; I215-W238 HydrophobicContact CG2-CZ3 4.37Å; L236-W238 HydrophobicContact CD2-CE3 4.08Å; W238-A240 HydrophobicContact CD2-CB 4.44Å; W238-A240 HydrophobicContact CZ2-CB 4.02Å; W238-A240 PolarHBondContact NE1-O 3.17Å |
| 239 | T | 95.3 | Very high | 94.2 | Very high | 24 Ų | 24 | 30.2 Ų | 30.2 | 15% | 0.147 | 19% | 0.188 | C | C | . | . | trans | -122 | 12.2 | 175.5 | 68.7 | 0 | 0 | 0 | 0 | 112.1 | L106 V143 C144 G145 T149 G150 I237 G241 | L106-T239 HydrophobicContact CB-CG2 4.47Å; V143-T239 HydrophobicContact CG1-CG2 4.32Å; C144-T239 CarbonylContact O-C 3.28Å; C144-T239 WeakPolarHBondContact O-CA 3.33Å; C144-T239 PolarHBondContact O-N 2.86Å; C144-T239 PolarHBondContact O-OG1 3.02Å; G145-T239 PolarHBondContact O-OG1 3.47Å; T149-T239 HydrophobicContact CG2-CG2 4.08Å; G150-T239 WeakPolarHBondContact CA-OG1 3.33Å; I237-T239 HydrophobicContact CG2-CG2 4.06Å; T239-G241 PolarHBondContact O-N 3.35Å | ||
| 240 | A | 89.1 | Confident | 93.8 | Very high | 20 Ų | 20 | 35.4 Ų | 35.4 | 17% | 0.165 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -77.5 | 90.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | F94 C144 W238 | F94-A240 HydrophobicContact CE2-CB 4.37Å; F94-A240 WeakPolarHBondContact CE2-O 3.46Å; C144-A240 PolarHBondContact O-N 2.89Å; W238-A240 HydrophobicContact CD2-CB 4.44Å; W238-A240 HydrophobicContact CZ2-CB 4.02Å; W238-A240 PolarHBondContact NE1-O 3.17Å |
| 241 | G | 87.2 | Confident | 93.6 | Very high | 34 Ų | 34 | 30.3 Ų | 30.3 | 35% | 0.351 | 19% | 0.189 | S | C | . | . | trans | 81.1 | 160 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | N92 T239 | N92-G241 PolarHBondContact N-O 2.78Å; N92-G241 VanDerWaalsContact N-O 3.14Å; T239-G241 PolarHBondContact O-N 3.35Å | ||
| 242 | V | 90.7 | Very high | 93.2 | Very high | 36 Ų | 36 | 31.6 Ų | 31.6 | 22% | 0.218 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 152.7 | -175.2 | -72.2 | 0 | 0 | 0 | 0 | 108.5 | E90 W107 Q297 | E90-V242 WeakPolarHBondContact O-CA 3.3Å; W107-V242 HydrophobicContact CD2-CG1 4.35Å; W107-V242 HydrophobicContact CE3-CG1 3.75Å; W107-V242 HydrophobicContact CH2-CB 4.14Å; W107-V242 HydrophobicContact CH2-CG1 3.42Å; W107-V242 VanDerWaalsContact CH2-CG1 3.42Å; W107-V242 HydrophobicContact CZ2-CG1 4.04Å; W107-V242 HydrophobicContact CZ3-CB 4.42Å; W107-V242 HydrophobicContact CZ3-CG1 3.26Å; V242-Q297 HydrophobicContact CG2-CB 3.8Å; V242-Q297 HydrophobicContact CG2-CG 4.19Å; V242-Q297 VanDerWaalsContact CG2-OE1 3.28Å |
| 243 | K | 92.5 | Very high | 92.9 | Very high | 39 Ų | 39 | 28.8 Ų | 28.8 | 17% | 0.17 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 163.2 | 176.7 | 57.4 | 178 | -176.8 | 133.8 | 0 | 109 | G89 E90 P91 N92 G258 | G89-K243 CarbonylContact C-O 3.56Å; G89-K243 WeakPolarHBondContact CA-O 3.14Å; E90-K243 HydrophobicContact CG-CD 4.37Å; E90-K243 HydrophobicContact CG-CG 3.78Å; E90-K243 PolarHBondContact N-O 2.93Å; E90-K243 PolarHBondContact O-N 3.02Å; E90-K243 WeakPolarHBondContact OE1-CE 3.44Å; E90-K243 IonicContact OE1-NZ 3.53Å; E90-K243 PolarHBondContact OE1-NZ 3.1Å; P91-K243 WeakPolarHBondContact O-CE 3.15Å; N92-K243 HydrophobicContact CB-CB 4.26Å; N92-K243 HydrophobicContact CB-CD 4.25Å; N92-K243 HydrophobicContact CB-CG 4.07Å; K243-G258 CarbonylContact C-O 3.07Å; K243-G258 WeakPolarHBondContact CA-O 3.2Å; K243-G258 VanDerWaalsContact CB-O 3.22Å; K243-G258 WeakPolarHBondContact CB-O 3.39Å |
| 244 | G | 92 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 147.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | S246 G258 | G244-S246 PolarHBondContact O-N 3.27Å; G244-G258 PolarHBondContact N-O 3.36Å |
| 245 | T | 92.4 | Very high | 92.4 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | trans | -59.3 | 136.7 | -179.1 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | M87 G88 D247 A248 L283 | M87-T245 HydrophobicContact CB-CG2 3.8Å; M87-T245 HydrophobicContact CE-CG2 3.92Å; G88-T245 PolarHBondContact O-N 2.85Å; T245-D247 HydrophobicContact CG2-CB 4.27Å; T245-D247 PolarHBondContact O-N 2.83Å; T245-D247 WeakPolarHBondContact OG1-CB 3.42Å; T245-D247 PolarHBondContact OG1-N 2.78Å; T245-D247 PolarHBondContact OG1-OD2 2.77Å; T245-A248 HydrophobicContact CG2-CB 4.19Å; T245-A248 PolarHBondContact O-N 2.85Å; T245-L283 HydrophobicContact CG2-CD1 4.2Å | ||
| 246 | S | 92 | Very high | 92.1 | Very high | 51 Ų | 51 | 34.1 Ų | 34.1 | 36% | 0.357 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -63.4 | -22.9 | 174.3 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | E90 G244 A248 A249 | E90-S246 PolarHBondContact OE1-OG 3.34Å; E90-S246 WeakPolarHBondContact OE2-CB 3.13Å; E90-S246 PolarHBondContact OE2-N 2.88Å; E90-S246 PolarHBondContact OE2-OG 2.66Å; G244-S246 PolarHBondContact O-N 3.27Å; S246-A248 PolarHBondContact O-N 3.19Å; S246-A248 VanDerWaalsContact O-N 3.11Å; S246-A249 VanDerWaalsContact O-CB 3.22Å; S246-A249 WeakPolarHBondContact O-CB 3.24Å; S246-A249 PolarHBondContact O-N 2.66Å |
| 247 | D | 90.1 | Very high | 91.5 | Very high | 56 Ų | 56 | 44.8 Ų | 44.8 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -58 | -26.1 | 175.8 | -66.2 | -25.7 | 0 | 0 | 0 | 112.2 | R17 M87 T245 F251 | R17-D247 IonicContact CZ-OD2 3.22Å; R17-D247 IonicContact NH1-OD2 3.75Å; R17-D247 PolarHBondContact NH1-OD2 2.78Å; R17-D247 IonicContact NH2-OD2 3.44Å; R17-D247 PolarHBondContact NH2-OD2 2.66Å; M87-D247 HydrophobicContact CE-CB 4.4Å; T245-D247 HydrophobicContact CG2-CB 4.27Å; T245-D247 PolarHBondContact O-N 2.83Å; T245-D247 WeakPolarHBondContact OG1-CB 3.42Å; T245-D247 PolarHBondContact OG1-N 2.78Å; T245-D247 PolarHBondContact OG1-OD2 2.77Å; D247-F251 WeakPolarHBondContact O-CE1 3.38Å; D247-F251 WeakPolarHBondContact O-CZ 3.16Å |
| 248 | A | 91.3 | Very high | 91 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 2% | 0.017 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -86 | -10.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M87 T245 S246 D250 F251 L261 L283 | M87-A248 HydrophobicContact CE-CB 3.54Å; T245-A248 HydrophobicContact CG2-CB 4.19Å; T245-A248 PolarHBondContact O-N 2.85Å; S246-A248 PolarHBondContact O-N 3.19Å; S246-A248 VanDerWaalsContact O-N 3.11Å; A248-D250 VanDerWaalsContact C-N 3.29Å; A248-D250 PolarHBondContact O-N 3.11Å; A248-F251 HydrophobicContact CB-CD2 4.21Å; A248-F251 HydrophobicContact CB-CE2 4.34Å; A248-F251 WeakPolarHBondContact O-CB 3.44Å; A248-F251 PolarHBondContact O-N 3.13Å; A248-L261 HydrophobicContact CB-CD1 4.2Å; A248-L283 HydrophobicContact CB-CD1 3.96Å; A248-L283 HydrophobicContact CB-CD2 4.06Å |
| 249 | A | 89.1 | Confident | 90.8 | Very high | 59 Ų | 59 | 48.8 Ų | 48.8 | 49% | 0.488 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -61.1 | -38.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S246 F251 | S246-A249 VanDerWaalsContact O-CB 3.22Å; S246-A249 WeakPolarHBondContact O-CB 3.24Å; S246-A249 PolarHBondContact O-N 2.66Å; A249-F251 VanDerWaalsContact C-N 3.26Å; A249-F251 PolarHBondContact O-N 3.39Å |
| 250 | D | 86.7 | Confident | 90.7 | Very high | 147 Ų | 147 | 48.5 Ų | 48.5 | 79% | 0.786 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -84 | 3.8 | -176.5 | -64.6 | -28.5 | 0 | 0 | 0 | 113.5 | A248 G252 | A248-D250 VanDerWaalsContact C-N 3.29Å; A248-D250 PolarHBondContact O-N 3.11Å; D250-G252 PolarHBondContact O-N 2.77Å |
| 251 | F | 92 | Very high | 91.1 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -78.2 | -9 | -179.6 | -63.8 | 1.3 | 0 | 0 | 0 | 112.3 | V61 I64 K66 I85 M87 D247 A248 A249 L253 | V61-F251 HydrophobicContact CG1-CE1 4.32Å; V61-F251 HydrophobicContact CG1-CE2 4.38Å; V61-F251 HydrophobicContact CG1-CZ 3.65Å; I64-F251 HydrophobicContact CD1-CB 4.38Å; I64-F251 HydrophobicContact CD1-CD2 3.32Å; I64-F251 HydrophobicContact CD1-CE2 3.61Å; I64-F251 HydrophobicContact CD1-CG 3.91Å; I64-F251 HydrophobicContact CD1-CZ 4.45Å; I64-F251 HydrophobicContact CG1-CD2 3.97Å; I64-F251 HydrophobicContact CG1-CE2 4.08Å; I64-F251 HydrophobicContact CG1-CG 4.18Å; I64-F251 HydrophobicContact CG1-CZ 4.46Å; K66-F251 PolarHBondContact NZ-O 3.22Å; I85-F251 HydrophobicContact CD1-CD2 4.41Å; I85-F251 HydrophobicContact CG2-CE2 4.46Å; M87-F251 HydrophobicContact CE-CD2 4.21Å; M87-F251 HydrophobicContact CE-CE2 3.24Å; M87-F251 HydrophobicContact CE-CZ 3.56Å; M87-F251 HydrophobicContact SD-CE2 3.85Å; M87-F251 HydrophobicContact SD-CZ 3.91Å; D247-F251 WeakPolarHBondContact O-CE1 3.38Å; D247-F251 WeakPolarHBondContact O-CZ 3.16Å; A248-F251 HydrophobicContact CB-CD2 4.21Å; A248-F251 HydrophobicContact CB-CE2 4.34Å; A248-F251 WeakPolarHBondContact O-CB 3.44Å; A248-F251 PolarHBondContact O-N 3.13Å; A249-F251 VanDerWaalsContact C-N 3.26Å; A249-F251 PolarHBondContact O-N 3.39Å; F251-L253 VanDerWaalsContact C-N 3.25Å; F251-L253 HydrophobicContact CB-CD1 4.31Å; F251-L253 HydrophobicContact CB-CG 4.22Å; F251-L253 PolarHBondContact O-N 3.48Å |
| 252 | G | 89.6 | Confident | 91.5 | Very high | 43 Ų | 43 | 49.6 Ų | 49.6 | 44% | 0.443 | 28% | 0.276 | S | S | . | . | trans | 61.9 | 33.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K66 D250 Y272 | K66-G252 VanDerWaalsContact NZ-C 3.28Å; K66-G252 PolarHBondContact NZ-O 3.15Å; D250-G252 PolarHBondContact O-N 2.77Å; G252-Y272 PolarHBondContact O-OH 3.34Å | ||
| 253 | L | 92.6 | Very high | 91.7 | Very high | 17 Ų | 17 | 48.4 Ų | 48.4 | 9% | 0.089 | 27% | 0.27 | C | S | . | . | trans | -93.5 | 148.8 | 170.7 | -63 | 176.3 | 0 | 0 | 0 | 108.5 | K66 I85 F251 A255 L261 A269 Y272 I279 | K66-L253 HydrophobicContact CD-CD2 3.99Å; I85-L253 HydrophobicContact CD1-CD1 3.58Å; F251-L253 VanDerWaalsContact C-N 3.25Å; F251-L253 HydrophobicContact CB-CD1 4.31Å; F251-L253 HydrophobicContact CB-CG 4.22Å; F251-L253 PolarHBondContact O-N 3.48Å; L253-A255 PolarHBondContact O-N 3.28Å; L253-A255 VanDerWaalsContact O-N 3.15Å; L253-L261 HydrophobicContact CB-CD1 4.01Å; L253-L261 HydrophobicContact CB-CD2 4Å; L253-L261 HydrophobicContact CB-CG 4.5Å; L253-L261 HydrophobicContact CD1-CD1 3.71Å; L253-L261 HydrophobicContact CG-CD1 4.49Å; L253-A269 HydrophobicContact CD2-CB 4.19Å; L253-Y272 HydrophobicContact CD2-CD2 3.46Å; L253-Y272 VanDerWaalsContact CD2-CD2 3.46Å; L253-Y272 HydrophobicContact CD2-CE2 3.69Å; L253-Y272 HydrophobicContact CD2-CG 4.3Å; L253-I279 HydrophobicContact CD1-CD1 4.28Å | ||
| 254 | E | 93 | Very high | 91.8 | Very high | 89 Ų | 89 | 47.9 Ų | 47.9 | 42% | 0.416 | 27% | 0.269 | S | S | . | . | trans | -66.2 | 116 | -178 | -164.3 | -173.9 | 147.5 | 0 | 0 | 110.5 | L261 Y262 K270 | E254-L261 WeakPolarHBondContact O-CA 3.27Å; E254-Y262 HydrophobicContact CB-CD2 4.15Å; E254-Y262 HydrophobicContact CG-CD2 3.75Å; E254-Y262 HydrophobicContact CG-CE2 4.23Å; E254-Y262 PolarHBondContact O-N 3.33Å; E254-K270 VanDerWaalsContact CD-NZ 3.27Å; E254-K270 IonicContact OE1-NZ 2.84Å; E254-K270 PolarHBondContact OE1-NZ 2.94Å; E254-K270 VanDerWaalsContact OE2-CD 3.23Å; E254-K270 WeakPolarHBondContact OE2-CD 3.45Å; E254-K270 WeakPolarHBondContact OE2-CE 3.08Å; E254-K270 IonicContact OE2-NZ 3.62Å; E254-K270 PolarHBondContact OE2-NZ 3.45Å | ||
| 255 | A | 92.8 | Very high | 92 | Very high | 61 Ų | 61 | 51.2 Ų | 51.2 | 50% | 0.504 | 29% | 0.285 | S | S | . | . | B | Isolated β-bridge | trans | -96.3 | 137.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L253 R260 L261 | L253-A255 PolarHBondContact O-N 3.28Å; L253-A255 VanDerWaalsContact O-N 3.15Å; A255-R260 CarbonylContact C-O 3.55Å; A255-R260 WeakPolarHBondContact CA-O 3.47Å; A255-L261 HydrophobicContact CB-CD2 3.99Å |
| 256 | A | 91.3 | Very high | 92.1 | Very high | 15 Ų | 15 | 53.3 Ų | 53.3 | 12% | 0.124 | 29% | 0.292 | C | S | . | . | trans | -92.7 | -171.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | G258 Q259 R260 Y262 H285 | A256-G258 PolarHBondContact O-N 3.43Å; A256-Q259 PolarHBondContact O-N 3.4Å; A256-R260 PolarHBondContact N-O 3.41Å; A256-Y262 HydrophobicContact CB-CD1 4.46Å; A256-Y262 HydrophobicContact CB-CD2 4.09Å; A256-Y262 HydrophobicContact CB-CE1 3.95Å; A256-Y262 HydrophobicContact CB-CE2 3.55Å; A256-Y262 VanDerWaalsContact CB-CZ 3.46Å; A256-H285 HydrophobicContact CB-CB 3.77Å; A256-H285 VanDerWaalsContact CB-CG 3.42Å; A256-H285 WeakPolarHBondContact CB-ND1 3.41Å | ||
| 257 | R | 86.5 | Confident | 92.4 | Very high | 229 Ų | 229 | 50.9 Ų | 50.9 | 86% | 0.864 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -56.8 | 136.9 | 174.4 | -175.6 | 178.9 | 176.9 | -172.1 | -0.9 | 110.6 | ||
| 258 | G | 88 | Confident | 92.7 | Very high | 29 Ų | 29 | 48.5 Ų | 48.5 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | 70.6 | 30.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K243 G244 A256 R260 | K243-G258 CarbonylContact C-O 3.07Å; K243-G258 WeakPolarHBondContact CA-O 3.2Å; K243-G258 VanDerWaalsContact CB-O 3.22Å; K243-G258 WeakPolarHBondContact CB-O 3.39Å; G244-G258 PolarHBondContact N-O 3.36Å; A256-G258 PolarHBondContact O-N 3.43Å; G258-R260 PolarHBondContact O-N 2.96Å |
| 259 | Q | 92.3 | Very high | 93 | Very high | 65 Ų | 65 | 48.5 Ų | 48.5 | 30% | 0.304 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | 59 | 17.7 | 174.5 | -56.5 | -176 | -77.3 | 0 | 0 | 114.9 | A256 | A256-Q259 PolarHBondContact O-N 3.4Š|
| 260 | R | 94.6 | Very high | 93.2 | Very high | 18 Ų | 18 | 49.9 Ų | 49.9 | 7% | 0.068 | 26% | 0.257 | C | S | . | . | trans | -77.5 | 148.6 | 171 | -60.3 | 173.9 | 65.8 | 169 | -0.4 | 108.7 | A255 A256 G258 L283 V284 H285 T295 | A255-R260 CarbonylContact C-O 3.55Å; A255-R260 WeakPolarHBondContact CA-O 3.47Å; A256-R260 PolarHBondContact N-O 3.41Å; G258-R260 PolarHBondContact O-N 2.96Å; R260-L283 CarbonylContact C-O 3.58Å; R260-L283 VanDerWaalsContact CA-O 3.3Å; R260-L283 WeakPolarHBondContact CA-O 3.15Å; R260-V284 PolarHBondContact NE-O 3.4Å; R260-V284 PolarHBondContact NH2-O 2.86Å; R260-H285 HydrophobicContact CB-CB 3.77Å; R260-T295 VanDerWaalsContact CZ-O 3.25Å; R260-T295 PolarHBondContact NH1-O 2.91Å; R260-T295 PolarHBondContact NH2-O 2.66Å; R260-T295 PolarHBondContact NH2-OG1 3.02Å | ||
| 261 | L | 95.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 133.6 | -174.5 | -59.9 | 179.5 | 0 | 0 | 0 | 111.1 | A248 L253 E254 A255 A263 I279 L283 V284 H285 | A248-L261 HydrophobicContact CB-CD1 4.2Å; L253-L261 HydrophobicContact CB-CD1 4.01Å; L253-L261 HydrophobicContact CB-CD2 4Å; L253-L261 HydrophobicContact CB-CG 4.5Å; L253-L261 HydrophobicContact CD1-CD1 3.71Å; L253-L261 HydrophobicContact CG-CD1 4.49Å; E254-L261 WeakPolarHBondContact O-CA 3.27Å; A255-L261 HydrophobicContact CB-CD2 3.99Å; L261-A263 PolarHBondContact O-N 3.25Å; L261-I279 HydrophobicContact CB-CD1 3.43Å; L261-I279 VanDerWaalsContact CB-CD1 3.43Å; L261-I279 HydrophobicContact CB-CG2 4.26Å; L261-I279 HydrophobicContact CD1-CD1 3.92Å; L261-I279 HydrophobicContact CG-CD1 4.35Å; L261-L283 HydrophobicContact CD1-CD1 4.28Å; L261-L283 HydrophobicContact CD1-CD2 3.93Å; L261-L283 HydrophobicContact CD1-CG 4.01Å; L261-L283 HydrophobicContact CG-CD1 4.15Å; L261-L283 HydrophobicContact CG-CG 4.14Å; L261-L283 PolarHBondContact N-O 2.98Å; L261-V284 CarbonylContact O-C 3.55Å; L261-H285 PolarHBondContact O-N 3.08Å |
| 262 | Y | 95.4 | Very high | 93.5 | Very high | 73 Ų | 73 | 48.1 Ų | 48.1 | 29% | 0.286 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 130.1 | -179.6 | -75.1 | -76.2 | 0 | 0 | 0 | 111.7 | E254 A256 K270 H285 | E254-Y262 HydrophobicContact CB-CD2 4.15Å; E254-Y262 HydrophobicContact CG-CD2 3.75Å; E254-Y262 HydrophobicContact CG-CE2 4.23Å; E254-Y262 PolarHBondContact O-N 3.33Å; A256-Y262 HydrophobicContact CB-CD1 4.46Å; A256-Y262 HydrophobicContact CB-CD2 4.09Å; A256-Y262 HydrophobicContact CB-CE1 3.95Å; A256-Y262 HydrophobicContact CB-CE2 3.55Å; A256-Y262 VanDerWaalsContact CB-CZ 3.46Å; Y262-K270 HydrophobicContact CG-CD 4.14Å; Y262-K270 PolarHBondContact O-N 3.5Å; Y262-H285 WeakPolarHBondContact CA-O 3.37Å; Y262-H285 HydrophobicContact CD1-CB 4.44Å; Y262-H285 AromaticContact CD1-CD2 3.63Å; Y262-H285 AromaticContact CE1-CD2 3.37Å; Y262-H285 WeakPolarHBondContact CE1-CD2 3.14Å; Y262-H285 AromaticContact CE1-NE2 3.86Å |
| 263 | A | 95.7 | Very high | 93.6 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -127.2 | 153.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L261 Q268 I279 V284 H285 Y286 | L261-A263 PolarHBondContact O-N 3.25Å; A263-Q268 CarbonylContact C-O 3.32Å; A263-Q268 WeakPolarHBondContact CA-O 3.43Å; A263-Q268 WeakPolarHBondContact CB-O 3.43Å; A263-I279 HydrophobicContact CB-CB 4.41Å; A263-V284 HydrophobicContact CB-CG2 3.46Å; A263-V284 VanDerWaalsContact CB-CG2 3.46Å; A263-H285 PolarHBondContact N-O 2.83Å; A263-H285 VanDerWaalsContact N-O 3.14Å; A263-Y286 WeakPolarHBondContact O-CD2 3.5Å |
| 264 | N | 95 | Very high | 93.6 | Very high | 28 Ų | 28 | 53.8 Ų | 53.8 | 15% | 0.15 | 28% | 0.275 | C | S | . | . | trans | -81.3 | -179.6 | 172.6 | 73.9 | 5.6 | 0 | 0 | 0 | 111.9 | Y266 M267 Q268 | N264-Y266 PolarHBondContact O-N 3.43Å; N264-Y266 WeakPolarHBondContact OD1-CA 3.22Å; N264-Y266 WeakPolarHBondContact OD1-CB 3.35Å; N264-Y266 PolarHBondContact OD1-N 3.34Å; N264-M267 WeakPolarHBondContact O-CA 3.4Å; N264-M267 WeakPolarHBondContact O-CE 3.24Å; N264-M267 PolarHBondContact O-N 2.94Å; N264-M267 PolarHBondContact OD1-N 3.22Å; N264-Q268 PolarHBondContact N-O 2.98Å; N264-Q268 PolarHBondContact ND2-OE1 3.47Å; N264-Q268 WeakPolarHBondContact OD1-CB 3.46Å; N264-Q268 PolarHBondContact OD1-N 3.5Å | ||
| 265 | E | 95.1 | Very high | 93.5 | Very high | 70 Ų | 70 | 51.6 Ų | 51.6 | 33% | 0.327 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -15.9 | 179.2 | 66.8 | -83 | -166.2 | 0 | 0 | 114.3 | Y286 E324 F325 | E265-Y286 HydrophobicContact CB-CE2 4Å; E265-Y286 WeakPolarHBondContact CB-OH 3.17Å; E265-E324 HydrophobicContact CG-CG 4.11Å; E265-F325 WeakPolarHBondContact O-CB 3.28Å; E265-F325 PolarHBondContact O-N 3.3Å |
| 266 | Y | 96.4 | Very high | 93.5 | Very high | 49 Ų | 49 | 49.1 Ų | 49.1 | 19% | 0.192 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 6.9 | 176 | -54.4 | -66.1 | 0 | 0 | 0 | 113.4 | N264 Q268 N312 K322 H323 E324 | N264-Y266 PolarHBondContact O-N 3.43Å; N264-Y266 WeakPolarHBondContact OD1-CA 3.22Å; N264-Y266 WeakPolarHBondContact OD1-CB 3.35Å; N264-Y266 PolarHBondContact OD1-N 3.34Å; Y266-Q268 PolarHBondContact O-N 3.18Å; Y266-N312 VanDerWaalsContact CA-ND2 3.33Å; Y266-N312 WeakPolarHBondContact CA-ND2 3.46Å; Y266-N312 WeakPolarHBondContact CB-ND2 3.23Å; Y266-N312 PolarHBondContact O-ND2 2.93Å; Y266-K322 HydrophobicContact CD1-CB 3.51Å; Y266-K322 HydrophobicContact CD1-CD 3.88Å; Y266-K322 HydrophobicContact CD1-CG 4.32Å; Y266-K322 HydrophobicContact CD2-CD 4.11Å; Y266-K322 HydrophobicContact CE1-CB 3.47Å; Y266-K322 VanDerWaalsContact CE1-CB 3.47Å; Y266-K322 HydrophobicContact CE1-CD 4.19Å; Y266-K322 HydrophobicContact CE1-CG 4.5Å; Y266-K322 HydrophobicContact CE2-CD 4.43Å; Y266-K322 HydrophobicContact CG-CB 4.33Å; Y266-K322 HydrophobicContact CG-CD 3.82Å; Y266-H323 WeakPolarHBondContact CD1-O 3.26Å; Y266-E324 HydrophobicContact CE1-CG 3.73Å |
| 267 | M | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 65.3 | 20 | -173.2 | -52.4 | -69.1 | 89.2 | 0 | 0 | 114.2 | N264 Y278 I279 V284 Y286 T305 T308 A309 F325 | N264-M267 WeakPolarHBondContact O-CA 3.4Å; N264-M267 WeakPolarHBondContact O-CE 3.24Å; N264-M267 PolarHBondContact O-N 2.94Å; N264-M267 PolarHBondContact OD1-N 3.22Å; M267-Y278 CarbonylContact O-C 3.52Å; M267-Y278 WeakPolarHBondContact O-CA 3.15Å; M267-Y278 WeakPolarHBondContact O-CB 3.43Å; M267-I279 PolarHBondContact O-N 3.14Å; M267-V284 HydrophobicContact SD-CG2 4.33Å; M267-Y286 HydrophobicContact CE-CD1 3.82Å; M267-Y286 HydrophobicContact CE-CD2 4.3Å; M267-Y286 HydrophobicContact CE-CE1 4.38Å; M267-Y286 HydrophobicContact CE-CG 3.77Å; M267-T305 HydrophobicContact SD-CG2 3.66Å; M267-T308 HydrophobicContact CG-CG2 3.84Å; M267-A309 HydrophobicContact CB-CB 4.15Å; M267-F325 HydrophobicContact CE-CB 3.76Å; M267-F325 HydrophobicContact CE-CD2 4.39Å; M267-F325 HydrophobicContact CE-CG 4.04Å; M267-F325 HydrophobicContact SD-CB 4.46Å; M267-F325 HydrophobicContact SD-CD2 4.15Å; M267-F325 HydrophobicContact SD-CG 4.41Å |
| 268 | Q | 97.2 | Very high | 94.3 | Very high | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.028 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -81.8 | 142.4 | 175.6 | -56.1 | 177.5 | -87 | 0 | 0 | 110.2 | A263 N264 Y266 K270 E273 I277 Y278 | A263-Q268 CarbonylContact C-O 3.32Å; A263-Q268 WeakPolarHBondContact CA-O 3.43Å; A263-Q268 WeakPolarHBondContact CB-O 3.43Å; N264-Q268 PolarHBondContact N-O 2.98Å; N264-Q268 PolarHBondContact ND2-OE1 3.47Å; N264-Q268 WeakPolarHBondContact OD1-CB 3.46Å; N264-Q268 PolarHBondContact OD1-N 3.5Å; Y266-Q268 PolarHBondContact O-N 3.18Å; Q268-K270 PolarHBondContact O-N 3.24Å; Q268-E273 HydrophobicContact CB-CB 4.5Å; Q268-E273 HydrophobicContact CB-CG 4.14Å; Q268-E273 PolarHBondContact NE2-O 3.19Å; Q268-I277 CarbonylContact C-O 3.59Å; Q268-I277 WeakPolarHBondContact CA-O 3.39Å; Q268-Y278 HydrophobicContact CG-CD1 3.84Å; Q268-Y278 HydrophobicContact CG-CE1 3.56Å |
| 269 | A | 96.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -61.7 | 128.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L253 G271 Y272 I277 I279 | L253-A269 HydrophobicContact CD2-CB 4.19Å; A269-G271 PolarHBondContact O-N 2.67Å; A269-Y272 CarbonylContact O-C 3.51Å; A269-Y272 PolarHBondContact O-N 3.17Å; A269-Y272 VanDerWaalsContact O-N 3.08Å; A269-I277 HydrophobicContact CB-CB 4.12Å; A269-I277 HydrophobicContact CB-CG2 3.9Å; A269-I277 PolarHBondContact N-O 3.31Å; A269-I279 HydrophobicContact CB-CD1 3.71Å; A269-I279 HydrophobicContact CB-CG1 3.94Å |
| 270 | K | 94 | Very high | 95 | Very high | 89 Ų | 89 | 34.5 Ų | 34.5 | 39% | 0.387 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 130 | -177.9 | -174.9 | 177.7 | 170.1 | -157.2 | 0 | 111.7 | E254 Y262 Q268 Y272 E273 | E254-K270 VanDerWaalsContact CD-NZ 3.27Å; E254-K270 IonicContact OE1-NZ 2.84Å; E254-K270 PolarHBondContact OE1-NZ 2.94Å; E254-K270 VanDerWaalsContact OE2-CD 3.23Å; E254-K270 WeakPolarHBondContact OE2-CD 3.45Å; E254-K270 WeakPolarHBondContact OE2-CE 3.08Å; E254-K270 IonicContact OE2-NZ 3.62Å; E254-K270 PolarHBondContact OE2-NZ 3.45Å; Y262-K270 HydrophobicContact CG-CD 4.14Å; Y262-K270 PolarHBondContact O-N 3.5Å; Q268-K270 PolarHBondContact O-N 3.24Å; K270-Y272 PolarHBondContact O-N 2.87Å; K270-E273 WeakPolarHBondContact CA-OE1 3.15Å |
| 271 | G | 92.7 | Very high | 95 | Very high | 54 Ų | 54 | 34.1 Ų | 34.1 | 56% | 0.557 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 2.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | A269 E273 | A269-G271 PolarHBondContact O-N 2.67Å; G271-E273 VanDerWaalsContact C-OE2 3.31Å; G271-E273 VanDerWaalsContact CA-OE2 3.27Å; G271-E273 WeakPolarHBondContact CA-OE2 3.19Å; G271-E273 VanDerWaalsContact N-CD 3.33Å; G271-E273 PolarHBondContact N-OE1 3.21Å; G271-E273 PolarHBondContact N-OE2 2.66Å; G271-E273 VanDerWaalsContact N-OE2 3.08Å |
| 272 | Y | 92.4 | Very high | 95 | Very high | 59 Ų | 59 | 34.9 Ų | 34.9 | 23% | 0.231 | 18% | 0.18 | C | C | . | . | trans | -133.3 | 28.7 | 178.6 | -62.6 | -73.5 | 0 | 0 | 0 | 111.4 | K66 G252 L253 A269 K270 D274 K275 | K66-Y272 HydrophobicContact CD-CD1 3.99Å; K66-Y272 HydrophobicContact CD-CD2 4.33Å; K66-Y272 HydrophobicContact CD-CE1 3.67Å; K66-Y272 HydrophobicContact CD-CE2 4.02Å; K66-Y272 HydrophobicContact CD-CG 4.31Å; K66-Y272 WeakPolarHBondContact CE-OH 3.49Å; K66-Y272 PolarHBondContact NZ-OH 3.38Å; K66-Y272 VanDerWaalsContact NZ-OH 3.07Å; G252-Y272 PolarHBondContact O-OH 3.34Å; L253-Y272 HydrophobicContact CD2-CD2 3.46Å; L253-Y272 VanDerWaalsContact CD2-CD2 3.46Å; L253-Y272 HydrophobicContact CD2-CE2 3.69Å; L253-Y272 HydrophobicContact CD2-CG 4.3Å; A269-Y272 CarbonylContact O-C 3.51Å; A269-Y272 PolarHBondContact O-N 3.17Å; A269-Y272 VanDerWaalsContact O-N 3.08Å; K270-Y272 PolarHBondContact O-N 2.87Å; Y272-D274 PolarHBondContact O-N 3.25Å; Y272-K275 HydrophobicContact CD1-CG 4.13Å; Y272-K275 PolarHBondContact O-N 2.87Å; Y272-K275 VanDerWaalsContact O-N 3.07Å | ||
| 273 | E | 91.8 | Very high | 94.9 | Very high | 70 Ų | 70 | 31.4 Ų | 31.4 | 33% | 0.327 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -65.1 | -28.3 | -178 | -61.2 | 82 | 177.1 | 0 | 0 | 112.5 | Q268 K270 G271 | Q268-E273 HydrophobicContact CB-CB 4.5Å; Q268-E273 HydrophobicContact CB-CG 4.14Å; Q268-E273 PolarHBondContact NE2-O 3.19Å; K270-E273 WeakPolarHBondContact CA-OE1 3.15Å; G271-E273 VanDerWaalsContact C-OE2 3.31Å; G271-E273 VanDerWaalsContact CA-OE2 3.27Å; G271-E273 WeakPolarHBondContact CA-OE2 3.19Å; G271-E273 VanDerWaalsContact N-CD 3.33Å; G271-E273 PolarHBondContact N-OE1 3.21Å; G271-E273 PolarHBondContact N-OE2 2.66Å; G271-E273 VanDerWaalsContact N-OE2 3.08Å |
| 274 | D | 91.5 | Very high | 94.9 | Very high | 110 Ų | 110 | 30.9 Ų | 30.9 | 59% | 0.588 | 16% | 0.162 | S | C | * | . | G | 310 helix | trans | -77.9 | -19.6 | 175 | 69.1 | -50.5 | 0 | 0 | 0 | 112.8 | Y272 | Y272-D274 PolarHBondContact O-N 3.25Š|
| 275 | K | 91.8 | Very high | 94.9 | Very high | 42 Ų | 42 | 30.1 Ų | 30.1 | 18% | 0.183 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -89.8 | -0 | -178.5 | -57.5 | -66.2 | 175.8 | 164.4 | 0 | 114 | E67 K69 Y272 I277 | E67-K275 IonicContact OE1-NZ 3.64Å; E67-K275 IonicContact OE2-NZ 3.95Å; E67-K275 PolarHBondContact OE2-NZ 2.86Å; K69-K275 WeakPolarHBondContact CE-O 3.1Å; K69-K275 PolarHBondContact NZ-O 3.44Å; Y272-K275 HydrophobicContact CD1-CG 4.13Å; Y272-K275 PolarHBondContact O-N 2.87Å; Y272-K275 VanDerWaalsContact O-N 3.07Å; K275-I277 VanDerWaalsContact C-N 3.34Å; K275-I277 HydrophobicContact CB-CD1 4.17Å; K275-I277 HydrophobicContact CB-CG1 4.21Å; K275-I277 PolarHBondContact O-N 3.37Å |
| 276 | D | 93.2 | Very high | 94.9 | Very high | 10 Ų | 10 | 28.3 Ų | 28.3 | 5% | 0.053 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 37.1 | 176.5 | -69.6 | -59.9 | 0 | 0 | 0 | 114.6 | K69 D81 Q82 L83 K316 | K69-D276 IonicContact NZ-OD2 2.75Å; D81-D276 VanDerWaalsContact O-CB 3.31Å; D81-D276 WeakPolarHBondContact O-CB 3.47Å; Q82-D276 HydrophobicContact CG-CB 4.49Å; Q82-D276 PolarHBondContact NE2-OD1 3.11Å; Q82-D276 PolarHBondContact NE2-OD2 2.93Å; Q82-D276 PolarHBondContact OE1-OD1 3.14Å; L83-D276 PolarHBondContact N-O 3.19Å; D276-K316 VanDerWaalsContact OD1-CD 3.28Å; D276-K316 WeakPolarHBondContact OD1-CD 3.16Å; D276-K316 VanDerWaalsContact OD1-CE 3.25Å; D276-K316 WeakPolarHBondContact OD1-CE 3.43Å; D276-K316 IonicContact OD1-NZ 2.58Å; D276-K316 PolarHBondContact OD1-NZ 3.49Å; D276-K316 IonicContact OD2-NZ 2.82Å; D276-K316 PolarHBondContact OD2-NZ 3.5Å |
| 277 | I | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 127.4 | 176.8 | -56.9 | 176.1 | 0 | 0 | 0 | 108.8 | K66 F80 L83 I85 Q268 A269 K275 | K66-I277 HydrophobicContact CB-CD1 4.4Å; K66-I277 HydrophobicContact CD-CD1 4.37Å; K66-I277 HydrophobicContact CG-CD1 3.87Å; F80-I277 HydrophobicContact CE2-CG1 4.29Å; F80-I277 HydrophobicContact CZ-CG1 4.37Å; L83-I277 HydrophobicContact CB-CG1 4.49Å; L83-I277 HydrophobicContact CD2-CG2 4.43Å; L83-I277 CarbonylContact O-C 3.4Å; I85-I277 HydrophobicContact CD1-CG2 3.7Å; I85-I277 HydrophobicContact CG1-CG2 4.24Å; Q268-I277 CarbonylContact C-O 3.59Å; Q268-I277 WeakPolarHBondContact CA-O 3.39Å; A269-I277 HydrophobicContact CB-CB 4.12Å; A269-I277 HydrophobicContact CB-CG2 3.9Å; A269-I277 PolarHBondContact N-O 3.31Å; K275-I277 VanDerWaalsContact C-N 3.34Å; K275-I277 HydrophobicContact CB-CD1 4.17Å; K275-I277 HydrophobicContact CB-CG1 4.21Å; K275-I277 PolarHBondContact O-N 3.37Å |
| 278 | Y | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 147.4 | 179.4 | -57.7 | -102.8 | 0 | 0 | 0 | 110.6 | Q82 L83 I85 M267 Q268 A309 N312 I313 | Q82-Y278 VanDerWaalsContact OE1-CE2 3.25Å; Q82-Y278 PolarHBondContact OE1-OH 2.91Å; L83-Y278 PolarHBondContact O-N 2.9Å; I85-Y278 PolarHBondContact N-O 3.32Å; M267-Y278 CarbonylContact O-C 3.52Å; M267-Y278 WeakPolarHBondContact O-CA 3.15Å; M267-Y278 WeakPolarHBondContact O-CB 3.43Å; Q268-Y278 HydrophobicContact CG-CD1 3.84Å; Q268-Y278 HydrophobicContact CG-CE1 3.56Å; Y278-A309 HydrophobicContact CD1-CB 4.17Å; Y278-A309 HydrophobicContact CG-CB 4.33Å; Y278-N312 HydrophobicContact CE1-CB 3.95Å; Y278-I313 HydrophobicContact CD2-CD1 3.95Å; Y278-I313 HydrophobicContact CD2-CG1 4Å; Y278-I313 HydrophobicContact CE1-CG1 4.34Å; Y278-I313 HydrophobicContact CE2-CD1 4Å; Y278-I313 HydrophobicContact CE2-CG1 3.56Å |
| 279 | I | 97.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128.3 | -178.3 | -47.9 | -176.4 | 0 | 0 | 0 | 108.6 | L253 L261 A263 M267 A269 L283 V284 | L253-I279 HydrophobicContact CD1-CD1 4.28Å; L261-I279 HydrophobicContact CB-CD1 3.43Å; L261-I279 VanDerWaalsContact CB-CD1 3.43Å; L261-I279 HydrophobicContact CB-CG2 4.26Å; L261-I279 HydrophobicContact CD1-CD1 3.92Å; L261-I279 HydrophobicContact CG-CD1 4.35Å; A263-I279 HydrophobicContact CB-CB 4.41Å; M267-I279 PolarHBondContact O-N 3.14Å; A269-I279 HydrophobicContact CB-CD1 3.71Å; A269-I279 HydrophobicContact CB-CG1 3.94Å; I279-L283 HydrophobicContact CG2-CB 4.25Å; I279-L283 HydrophobicContact CG2-CD2 4.27Å; I279-L283 HydrophobicContact CG2-CG 4.1Å; I279-V284 HydrophobicContact CB-CG2 4.35Å; I279-V284 HydrophobicContact CG2-CB 4.14Å; I279-V284 HydrophobicContact CG2-CG2 4.32Å |
| 280 | I | 97.1 | Very high | 92.9 | Very high | 29 Ų | 29 | 43.3 Ų | 43.3 | 15% | 0.149 | 23% | 0.228 | C | C | . | . | trans | -135.9 | 168.8 | -176 | 66.9 | 166.1 | 0 | 0 | 0 | 111.6 | I84 I85 T305 A309 | I84-I280 HydrophobicContact CG2-CD1 3.45Å; I84-I280 VanDerWaalsContact CG2-CD1 3.45Å; I84-I280 HydrophobicContact CG2-CG1 3.62Å; I84-I280 HydrophobicContact CG2-CG2 4.1Å; I85-I280 PolarHBondContact O-N 3.28Å; I280-T305 WeakPolarHBondContact CG2-O 3.39Å; I280-A309 HydrophobicContact CG2-CB 3.45Å; I280-A309 VanDerWaalsContact CG2-CB 3.45Å | ||
| 281 | G | 95.5 | Very high | 92.4 | Very high | 11 Ų | 11 | 42.9 Ų | 42.9 | 11% | 0.113 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | 72.9 | -158.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | L283 V284 T305 | G281-L283 PolarHBondContact O-N 2.84Å; G281-V284 VanDerWaalsContact O-CG1 3.29Å; G281-V284 WeakPolarHBondContact O-CG1 3.2Å; G281-V284 PolarHBondContact O-N 3.4Å; G281-V284 VanDerWaalsContact O-N 3.15Å; G281-T305 PolarHBondContact N-OG1 2.97Å |
| 282 | D | 94.2 | Very high | 91.8 | Very high | 19 Ų | 19 | 42.7 Ų | 42.7 | 10% | 0.102 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -65.4 | -11.1 | -177 | -64.6 | -17.8 | 0 | 0 | 0 | 114.1 | Q297 | D282-Q297 HydrophobicContact CB-CB 4.24Å; D282-Q297 HydrophobicContact CB-CG 3.96Å; D282-Q297 PolarHBondContact O-NE2 3.41Å; D282-Q297 WeakPolarHBondContact OD1-CA 3.35Å; D282-Q297 WeakPolarHBondContact OD1-CB 3.49Å |
| 283 | L | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -78.7 | -23.3 | 177.4 | -170.3 | 61.3 | 0 | 0 | 0 | 112.6 | I85 M87 T245 A248 R260 L261 I279 G281 | I85-L283 HydrophobicContact CG2-CD2 3.56Å; M87-L283 HydrophobicContact CE-CD2 4.34Å; T245-L283 HydrophobicContact CG2-CD1 4.2Å; A248-L283 HydrophobicContact CB-CD1 3.96Å; A248-L283 HydrophobicContact CB-CD2 4.06Å; R260-L283 CarbonylContact C-O 3.58Å; R260-L283 VanDerWaalsContact CA-O 3.3Å; R260-L283 WeakPolarHBondContact CA-O 3.15Å; L261-L283 HydrophobicContact CD1-CD1 4.28Å; L261-L283 HydrophobicContact CD1-CD2 3.93Å; L261-L283 HydrophobicContact CD1-CG 4.01Å; L261-L283 HydrophobicContact CG-CD1 4.15Å; L261-L283 HydrophobicContact CG-CG 4.14Å; L261-L283 PolarHBondContact N-O 2.98Å; I279-L283 HydrophobicContact CG2-CB 4.25Å; I279-L283 HydrophobicContact CG2-CD2 4.27Å; I279-L283 HydrophobicContact CG2-CG 4.1Å; G281-L283 PolarHBondContact O-N 2.84Å |
| 284 | V | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 141.9 | -175.1 | 79.8 | 0 | 0 | 0 | 0 | 111.3 | R260 L261 A263 M267 I279 G281 T295 T305 | R260-V284 PolarHBondContact NE-O 3.4Å; R260-V284 PolarHBondContact NH2-O 2.86Å; L261-V284 CarbonylContact O-C 3.55Å; A263-V284 HydrophobicContact CB-CG2 3.46Å; A263-V284 VanDerWaalsContact CB-CG2 3.46Å; M267-V284 HydrophobicContact SD-CG2 4.33Å; I279-V284 HydrophobicContact CB-CG2 4.35Å; I279-V284 HydrophobicContact CG2-CB 4.14Å; I279-V284 HydrophobicContact CG2-CG2 4.32Å; G281-V284 VanDerWaalsContact O-CG1 3.29Å; G281-V284 WeakPolarHBondContact O-CG1 3.2Å; G281-V284 PolarHBondContact O-N 3.4Å; G281-V284 VanDerWaalsContact O-N 3.15Å; V284-T295 WeakPolarHBondContact CG1-OG1 3.45Å; V284-T305 HydrophobicContact CG1-CG2 4.08Å |
| 285 | H | 95 | Very high | 91.5 | Very high | 13 Ų | 13 | 40.4 Ų | 40.4 | 6% | 0.06 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 103.8 | 161.9 | -171 | 99 | 0 | 0 | 0 | 107.9 | A256 R260 L261 Y262 A263 E287 | A256-H285 HydrophobicContact CB-CB 3.77Å; A256-H285 VanDerWaalsContact CB-CG 3.42Å; A256-H285 WeakPolarHBondContact CB-ND1 3.41Å; R260-H285 HydrophobicContact CB-CB 3.77Å; L261-H285 PolarHBondContact O-N 3.08Å; Y262-H285 WeakPolarHBondContact CA-O 3.37Å; Y262-H285 HydrophobicContact CD1-CB 4.44Å; Y262-H285 AromaticContact CD1-CD2 3.63Å; Y262-H285 AromaticContact CE1-CD2 3.37Å; Y262-H285 WeakPolarHBondContact CE1-CD2 3.14Å; Y262-H285 AromaticContact CE1-NE2 3.86Å; A263-H285 PolarHBondContact N-O 2.83Å; A263-H285 VanDerWaalsContact N-O 3.14Å; H285-E287 IonicContact CD2-OE1 3.5Å; H285-E287 IonicContact CE1-OE1 3Å; H285-E287 IonicContact NE2-OE1 2.71Å; H285-E287 PolarHBondContact NE2-OE1 3.02Å |
| 286 | Y | 94.6 | Very high | 91.4 | Very high | 32 Ų | 32 | 40 Ų | 40 | 13% | 0.125 | 22% | 0.219 | C | C | . | . | trans | -135.3 | 130 | 176.7 | 173.8 | -111.1 | 0 | 0 | 0 | 109.4 | A263 E265 M267 E288 P294 T295 F325 | A263-Y286 WeakPolarHBondContact O-CD2 3.5Å; E265-Y286 HydrophobicContact CB-CE2 4Å; E265-Y286 WeakPolarHBondContact CB-OH 3.17Å; M267-Y286 HydrophobicContact CE-CD1 3.82Å; M267-Y286 HydrophobicContact CE-CD2 4.3Å; M267-Y286 HydrophobicContact CE-CE1 4.38Å; M267-Y286 HydrophobicContact CE-CG 3.77Å; Y286-E288 HydrophobicContact CD1-CB 4.43Å; Y286-E288 HydrophobicContact CE1-CB 3.75Å; Y286-E288 HydrophobicContact CE1-CG 4.21Å; Y286-P294 CarbonylContact O-C 3.55Å; Y286-P294 VanDerWaalsContact O-CA 3.24Å; Y286-P294 WeakPolarHBondContact O-CA 3.39Å; Y286-T295 HydrophobicContact CD1-CG2 4.22Å; Y286-T295 PolarHBondContact O-N 3.37Å; Y286-F325 AromaticContact CD1-CD1 3.81Å; Y286-F325 HydrophobicContact CD1-CD1 3.81Å; Y286-F325 HydrophobicContact CD1-CE1 4.36Å; Y286-F325 HydrophobicContact CD1-CG 4.41Å; Y286-F325 HydrophobicContact CE1-CB 4.18Å; Y286-F325 AromaticContact CE1-CD1 3.64Å; Y286-F325 HydrophobicContact CE1-CD1 3.64Å; Y286-F325 HydrophobicContact CE1-CE1 4.47Å; Y286-F325 HydrophobicContact CE1-CG 4.28Å | ||
| 287 | E | 92.4 | Very high | 91.3 | Very high | 52 Ų | 52 | 41.9 Ų | 41.9 | 24% | 0.243 | 23% | 0.228 | C | C | . | . | trans | -110 | 97 | -178.9 | -65.1 | -179.2 | -160.5 | 0 | 0 | 109.3 | H285 N289 G292 P294 | H285-E287 IonicContact CD2-OE1 3.5Å; H285-E287 IonicContact CE1-OE1 3Å; H285-E287 IonicContact NE2-OE1 2.71Å; H285-E287 PolarHBondContact NE2-OE1 3.02Å; E287-N289 PolarHBondContact O-N 3.41Å; E287-G292 VanDerWaalsContact OE2-CA 3.27Å; E287-G292 WeakPolarHBondContact OE2-CA 3.26Å; E287-G292 PolarHBondContact OE2-N 2.78Å; E287-P294 HydrophobicContact CG-CB 4.42Å | ||
| 288 | E | 88.4 | Confident | 91 | Very high | 55 Ų | 55 | 43.2 Ų | 43.2 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -40 | -174.5 | -173.2 | 177.2 | 177.8 | 0 | 0 | 112.9 | Y286 K326 S327 | Y286-E288 HydrophobicContact CD1-CB 4.43Å; Y286-E288 HydrophobicContact CE1-CB 3.75Å; Y286-E288 HydrophobicContact CE1-CG 4.21Å; E288-K326 VanDerWaalsContact OE1-CA 3.25Å; E288-K326 WeakPolarHBondContact OE1-CA 3.44Å; E288-S327 PolarHBondContact OE1-N 3.35Å; E288-S327 WeakPolarHBondContact OE2-CB 3.37Å; E288-S327 PolarHBondContact OE2-N 2.76Å; E288-S327 PolarHBondContact OE2-OG 3.45Å |
| 289 | N | 84.4 | Confident | 90.6 | Very high | 123 Ų | 123 | 46.5 Ų | 46.5 | 66% | 0.658 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 3.9 | -175.8 | -64.2 | -47.1 | 0 | 0 | 0 | 113.7 | E287 D291 | E287-N289 PolarHBondContact O-N 3.41Å; N289-D291 HydrophobicContact CB-CB 4.48Å; N289-D291 PolarHBondContact O-N 3.2Å; N289-D291 VanDerWaalsContact O-N 3.13Å |
| 290 | N | 79.6 | Confident | 90.3 | Very high | 141 Ų | 141 | 48.7 Ų | 48.7 | 75% | 0.754 | 27% | 0.265 | S | S | * | . | S | Bend | trans | 50.6 | 30.5 | -171.6 | -62.2 | -52.6 | 0 | 0 | 0 | 114 | G292 | N290-G292 VanDerWaalsContact C-N 3.3Š|
| 291 | D | 83.2 | Confident | 90.1 | Very high | 79 Ų | 79 | 47.4 Ų | 47.4 | 42% | 0.422 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -91.7 | 12 | 179.1 | 72.2 | -26.6 | 0 | 0 | 0 | 112.7 | N289 K293 | N289-D291 HydrophobicContact CB-CB 4.48Å; N289-D291 PolarHBondContact O-N 3.2Å; N289-D291 VanDerWaalsContact O-N 3.13Å; D291-K293 PolarHBondContact O-N 2.82Å; D291-K293 WeakPolarHBondContact OD1-CB 3.19Å; D291-K293 PolarHBondContact OD1-N 2.93Å; D291-K293 VanDerWaalsContact OD1-N 3.15Å; D291-K293 VanDerWaalsContact OD2-CD 3.31Å; D291-K293 WeakPolarHBondContact OD2-CD 3.37Å; D291-K293 IonicContact OD2-NZ 3.26Å; D291-K293 PolarHBondContact OD2-NZ 3.08Å |
| 292 | G | 80.3 | Confident | 90.1 | Very high | 50 Ų | 50 | 48.5 Ų | 48.5 | 52% | 0.515 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 75.7 | 4.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | E287 N290 P294 | E287-G292 VanDerWaalsContact OE2-CA 3.27Å; E287-G292 WeakPolarHBondContact OE2-CA 3.26Å; E287-G292 PolarHBondContact OE2-N 2.78Å; N290-G292 VanDerWaalsContact C-N 3.3Å; G292-P294 WeakPolarHBondContact O-CD 3.44Å |
| 293 | K | 85.4 | Confident | 90 | Very high | 143 Ų | 143 | 52 Ų | 52 | 62% | 0.622 | 28% | 0.283 | S | S | * | . | trans | -102.9 | 109.9 | 177.9 | -60.6 | -178.6 | -164.2 | 148.3 | 0 | 110.2 | D291 | D291-K293 PolarHBondContact O-N 2.82Å; D291-K293 WeakPolarHBondContact OD1-CB 3.19Å; D291-K293 PolarHBondContact OD1-N 2.93Å; D291-K293 VanDerWaalsContact OD1-N 3.15Å; D291-K293 VanDerWaalsContact OD2-CD 3.31Å; D291-K293 WeakPolarHBondContact OD2-CD 3.37Å; D291-K293 IonicContact OD2-NZ 3.26Å; D291-K293 PolarHBondContact OD2-NZ 3.08Å | ||
| 294 | P | 91.8 | Very high | 90 | Very high | 40 Ų | 40 | 53.9 Ų | 53.9 | 26% | 0.26 | 29% | 0.291 | S | S | . | . | trans | -71.4 | 165.5 | 172.3 | 31.4 | -35.9 | 0 | 0 | 0 | 110.7 | Y286 E287 G292 | Y286-P294 CarbonylContact O-C 3.55Å; Y286-P294 VanDerWaalsContact O-CA 3.24Å; Y286-P294 WeakPolarHBondContact O-CA 3.39Å; E287-P294 HydrophobicContact CG-CB 4.42Å; G292-P294 WeakPolarHBondContact O-CD 3.44Å | ||
| 295 | T | 91.6 | Very high | 90.1 | Very high | 9 Ų | 9 | 53.9 Ų | 53.9 | 6% | 0.055 | 29% | 0.291 | C | S | . | . | trans | -45.7 | 136.8 | 171.3 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | R260 V284 Y286 F325 | R260-T295 VanDerWaalsContact CZ-O 3.25Å; R260-T295 PolarHBondContact NH1-O 2.91Å; R260-T295 PolarHBondContact NH2-O 2.66Å; R260-T295 PolarHBondContact NH2-OG1 3.02Å; V284-T295 WeakPolarHBondContact CG1-OG1 3.45Å; Y286-T295 HydrophobicContact CD1-CG2 4.22Å; Y286-T295 PolarHBondContact O-N 3.37Å; T295-F325 HydrophobicContact CG2-CE1 3.86Å; T295-F325 HydrophobicContact CG2-CZ 4.04Å | ||
| 296 | P | 90.5 | Very high | 90.1 | Very high | 32 Ų | 32 | 54.1 Ų | 54.1 | 21% | 0.208 | 30% | 0.297 | C | S | . | . | trans | -66.9 | 148.8 | 176.5 | 26.2 | -34.7 | 0 | 0 | 0 | 111.7 | M189 I298 A301 Y329 | M189-P296 HydrophobicContact CE-CB 3.96Å; P296-I298 VanDerWaalsContact C-N 3.31Å; P296-I298 HydrophobicContact CB-CD1 4.1Å; P296-I298 HydrophobicContact CB-CG1 4.04Å; P296-I298 HydrophobicContact CB-CG2 4.36Å; P296-I298 HydrophobicContact CG-CD1 3.69Å; P296-I298 HydrophobicContact CG-CG1 3.89Å; P296-I298 PolarHBondContact O-N 2.9Å; P296-I298 VanDerWaalsContact O-N 3.09Å; P296-A301 HydrophobicContact CG-CB 4.29Å; P296-A301 WeakPolarHBondContact O-CB 3.1Å; P296-Y329 VanDerWaalsContact CD-OH 3.26Å; P296-Y329 WeakPolarHBondContact CD-OH 3.44Å; P296-Y329 HydrophobicContact CG-CD2 4.37Å; P296-Y329 HydrophobicContact CG-CE1 4.32Å; P296-Y329 HydrophobicContact CG-CE2 3.57Å | ||
| 297 | Q | 90.8 | Very high | 90.2 | Very high | 50 Ų | 50 | 58.1 Ų | 58.1 | 23% | 0.234 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -86.3 | 73.2 | 176.2 | -68.6 | 165.3 | -74.7 | 0 | 0 | 109.9 | V242 D282 | V242-Q297 HydrophobicContact CG2-CB 3.8Å; V242-Q297 HydrophobicContact CG2-CG 4.19Å; V242-Q297 VanDerWaalsContact CG2-OE1 3.28Å; D282-Q297 HydrophobicContact CB-CB 4.24Å; D282-Q297 HydrophobicContact CB-CG 3.96Å; D282-Q297 PolarHBondContact O-NE2 3.41Å; D282-Q297 WeakPolarHBondContact OD1-CA 3.35Å; D282-Q297 WeakPolarHBondContact OD1-CB 3.49Å |
| 298 | I | 90.1 | Very high | 90.4 | Very high | 28 Ų | 28 | 56.2 Ų | 56.2 | 14% | 0.144 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -134.6 | 157.1 | -177.7 | 60.1 | 176.4 | 0 | 0 | 0 | 109.7 | F148 P296 Q300 A301 A302 Y329 F332 | F148-I298 HydrophobicContact CE2-CG2 4.38Å; P296-I298 VanDerWaalsContact C-N 3.31Å; P296-I298 HydrophobicContact CB-CD1 4.1Å; P296-I298 HydrophobicContact CB-CG1 4.04Å; P296-I298 HydrophobicContact CB-CG2 4.36Å; P296-I298 HydrophobicContact CG-CD1 3.69Å; P296-I298 HydrophobicContact CG-CG1 3.89Å; P296-I298 PolarHBondContact O-N 2.9Å; P296-I298 VanDerWaalsContact O-N 3.09Å; I298-Q300 VanDerWaalsContact C-N 3.33Å; I298-Q300 HydrophobicContact CD1-CB 4.49Å; I298-Q300 PolarHBondContact O-N 2.82Å; I298-A301 HydrophobicContact CG1-CB 3.75Å; I298-A301 WeakPolarHBondContact O-CB 3.35Å; I298-A301 PolarHBondContact O-N 2.78Å; I298-A302 PolarHBondContact O-N 2.96Å; I298-Y329 HydrophobicContact CD1-CD1 3.93Å; I298-Y329 HydrophobicContact CD1-CE1 4.13Å; I298-Y329 HydrophobicContact CD1-CG 4.21Å; I298-F332 HydrophobicContact CD1-CE1 3.64Å; I298-F332 HydrophobicContact CD1-CZ 4.21Å |
| 299 | V | 89.9 | Confident | 90.8 | Very high | 70 Ų | 70 | 53.6 Ų | 53.6 | 42% | 0.424 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -53.5 | -46.4 | -178.6 | 177.6 | 0 | 0 | 0 | 0 | 112.8 | T25 A301 A302 E303 | T25-V299 HydrophobicContact CG2-CG2 3.41Å; T25-V299 VanDerWaalsContact CG2-CG2 3.41Å; V299-A301 VanDerWaalsContact C-N 3.27Å; V299-A301 PolarHBondContact O-N 2.89Å; V299-A302 CarbonylContact O-C 3.53Å; V299-A302 WeakPolarHBondContact O-CA 3.48Å; V299-A302 WeakPolarHBondContact O-CB 3.48Å; V299-A302 PolarHBondContact O-N 3.05Å; V299-E303 HydrophobicContact CG1-CG 4.16Å; V299-E303 WeakPolarHBondContact O-CG 3.43Å; V299-E303 PolarHBondContact O-N 3.14Å |
| 300 | Q | 91.4 | Very high | 91.2 | Very high | 46 Ų | 46 | 48.3 Ų | 48.3 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62 | -35.3 | -179.3 | -70.1 | -177 | 9.6 | 0 | 0 | 112.4 | I298 Q304 Y329 G331 | I298-Q300 VanDerWaalsContact C-N 3.33Å; I298-Q300 HydrophobicContact CD1-CB 4.49Å; I298-Q300 PolarHBondContact O-N 2.82Å; Q300-Q304 VanDerWaalsContact O-CB 3.28Å; Q300-Q304 WeakPolarHBondContact O-CB 3.44Å; Q300-Q304 WeakPolarHBondContact O-CG 3.29Å; Q300-Q304 PolarHBondContact O-N 2.91Å; Q300-Y329 HydrophobicContact CB-CD1 3.86Å; Q300-Y329 HydrophobicContact CB-CE1 4.41Å; Q300-G331 PolarHBondContact NE2-O 3.26Å; Q300-G331 VanDerWaalsContact NE2-O 3.09Å |
| 301 | A | 93.4 | Very high | 92 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 2% | 0.017 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69 | -40.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P296 I298 V299 E303 Q304 T305 Y329 | P296-A301 HydrophobicContact CG-CB 4.29Å; P296-A301 WeakPolarHBondContact O-CB 3.1Å; I298-A301 HydrophobicContact CG1-CB 3.75Å; I298-A301 WeakPolarHBondContact O-CB 3.35Å; I298-A301 PolarHBondContact O-N 2.78Å; V299-A301 VanDerWaalsContact C-N 3.27Å; V299-A301 PolarHBondContact O-N 2.89Å; A301-E303 PolarHBondContact O-N 3.35Å; A301-Q304 PolarHBondContact O-N 3.41Å; A301-T305 WeakPolarHBondContact O-CB 3.32Å; A301-T305 WeakPolarHBondContact O-CG2 3.24Å; A301-T305 PolarHBondContact O-N 3.29Å; A301-T305 PolarHBondContact O-OG1 2.77Å; A301-Y329 HydrophobicContact CB-CE1 3.86Å |
| 302 | A | 94.5 | Very high | 92.6 | Very high | 34 Ų | 34 | 38.1 Ų | 38.1 | 28% | 0.281 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62 | -42.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I298 V299 T305 G306 | I298-A302 PolarHBondContact O-N 2.96Å; V299-A302 CarbonylContact O-C 3.53Å; V299-A302 WeakPolarHBondContact O-CA 3.48Å; V299-A302 WeakPolarHBondContact O-CB 3.48Å; V299-A302 PolarHBondContact O-N 3.05Å; A302-T305 PolarHBondContact O-OG1 3.14Å; A302-T305 VanDerWaalsContact O-OG1 3.09Å; A302-G306 PolarHBondContact O-N 3.43Å |
| 303 | E | 93 | Very high | 93.3 | Very high | 94 Ų | 94 | 35.9 Ų | 35.9 | 44% | 0.439 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.3 | -43.1 | 176.1 | -70.6 | -174.6 | 153.5 | 0 | 0 | 112.5 | V299 A301 G306 H307 Y367 | V299-E303 HydrophobicContact CG1-CG 4.16Å; V299-E303 WeakPolarHBondContact O-CG 3.43Å; V299-E303 PolarHBondContact O-N 3.14Å; A301-E303 PolarHBondContact O-N 3.35Å; E303-G306 PolarHBondContact O-N 3.48Å; E303-H307 WeakPolarHBondContact O-CB 3.19Å; E303-H307 PolarHBondContact O-N 2.96Å; E303-Y367 WeakPolarHBondContact OE1-CD2 3.31Å; E303-Y367 WeakPolarHBondContact OE1-CE2 3.36Å |
| 304 | Q | 95.3 | Very high | 93.7 | Very high | 38 Ų | 38 | 30 Ų | 30 | 18% | 0.178 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.9 | -41.3 | -178.8 | -72.8 | 172.7 | 27.5 | 0 | 0 | 112.3 | Q300 A301 H307 T308 F325 N328 | Q300-Q304 VanDerWaalsContact O-CB 3.28Å; Q300-Q304 WeakPolarHBondContact O-CB 3.44Å; Q300-Q304 WeakPolarHBondContact O-CG 3.29Å; Q300-Q304 PolarHBondContact O-N 2.91Å; A301-Q304 PolarHBondContact O-N 3.41Å; Q304-H307 WeakPolarHBondContact O-CB 3.41Å; Q304-H307 PolarHBondContact O-N 3.48Å; Q304-T308 PolarHBondContact O-N 3.1Å; Q304-T308 PolarHBondContact O-OG1 3.18Å; Q304-F325 HydrophobicContact CB-CE2 3.67Å; Q304-F325 HydrophobicContact CB-CZ 4.28Å; Q304-N328 PolarHBondContact NE2-O 3.12Å; Q304-N328 VanDerWaalsContact OE1-N 3.08Å |
| 305 | T | 96.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.6 | -42 | 175.5 | 55.5 | 0 | 0 | 0 | 0 | 110.1 | M267 I280 G281 V284 A301 A302 H307 T308 A309 F325 | M267-T305 HydrophobicContact SD-CG2 3.66Å; I280-T305 WeakPolarHBondContact CG2-O 3.39Å; G281-T305 PolarHBondContact N-OG1 2.97Å; V284-T305 HydrophobicContact CG1-CG2 4.08Å; A301-T305 WeakPolarHBondContact O-CB 3.32Å; A301-T305 WeakPolarHBondContact O-CG2 3.24Å; A301-T305 PolarHBondContact O-N 3.29Å; A301-T305 PolarHBondContact O-OG1 2.77Å; A302-T305 PolarHBondContact O-OG1 3.14Å; A302-T305 VanDerWaalsContact O-OG1 3.09Å; T305-H307 PolarHBondContact O-N 3.37Å; T305-T308 PolarHBondContact O-N 2.73Å; T305-A309 PolarHBondContact O-N 3.21Å; T305-F325 HydrophobicContact CG2-CD2 4.03Å; T305-F325 HydrophobicContact CG2-CE2 3.49Å; T305-F325 VanDerWaalsContact CG2-CE2 3.49Å; T305-F325 HydrophobicContact CG2-CZ 4.05Å |
| 306 | G | 95.6 | Very high | 93.8 | Very high | 18 Ų | 18 | 31.6 Ų | 31.6 | 19% | 0.186 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.9 | -41.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A302 E303 A310 | A302-G306 PolarHBondContact O-N 3.43Å; E303-G306 PolarHBondContact O-N 3.48Å; G306-A310 VanDerWaalsContact O-CB 3.25Å; G306-A310 WeakPolarHBondContact O-CB 3.29Å; G306-A310 PolarHBondContact O-N 3.03Å |
| 307 | H | 94.9 | Very high | 93.8 | Very high | 115 Ų | 115 | 33.4 Ų | 33.4 | 53% | 0.532 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.4 | -45.8 | 175.2 | -174.7 | 96.9 | 0 | 0 | 0 | 111.5 | E303 Q304 T305 A310 A311 | E303-H307 WeakPolarHBondContact O-CB 3.19Å; E303-H307 PolarHBondContact O-N 2.96Å; Q304-H307 WeakPolarHBondContact O-CB 3.41Å; Q304-H307 PolarHBondContact O-N 3.48Å; T305-H307 PolarHBondContact O-N 3.37Å; H307-A310 PolarHBondContact O-N 2.83Å; H307-A311 VanDerWaalsContact O-CB 3.31Å; H307-A311 WeakPolarHBondContact O-CB 3.4Å; H307-A311 PolarHBondContact O-N 3.48Å |
| 308 | T | 96.6 | Very high | 93.8 | Very high | 12 Ų | 12 | 35.6 Ų | 35.6 | 7% | 0.074 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.5 | -50 | -177.7 | -57.6 | 0 | 0 | 0 | 0 | 111.1 | M267 Q304 T305 A310 A311 N312 H323 F325 | M267-T308 HydrophobicContact CG-CG2 3.84Å; Q304-T308 PolarHBondContact O-N 3.1Å; Q304-T308 PolarHBondContact O-OG1 3.18Å; T305-T308 PolarHBondContact O-N 2.73Å; T308-A310 VanDerWaalsContact C-N 3.34Å; T308-A310 PolarHBondContact O-N 3.23Å; T308-A311 PolarHBondContact O-N 3.47Å; T308-A311 VanDerWaalsContact O-N 3.13Å; T308-N312 PolarHBondContact O-N 3.3Å; T308-N312 PolarHBondContact O-ND2 2.81Å; T308-H323 WeakPolarHBondContact CG2-O 3.38Å; T308-F325 HydrophobicContact CG2-CB 4.01Å; T308-F325 WeakPolarHBondContact OG1-CD2 3.41Å |
| 309 | A | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58 | -45.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I84 M267 Y278 I280 T305 A311 N312 I313 | I84-A309 HydrophobicContact CD1-CB 4.28Å; M267-A309 HydrophobicContact CB-CB 4.15Å; Y278-A309 HydrophobicContact CD1-CB 4.17Å; Y278-A309 HydrophobicContact CG-CB 4.33Å; I280-A309 HydrophobicContact CG2-CB 3.45Å; I280-A309 VanDerWaalsContact CG2-CB 3.45Å; T305-A309 PolarHBondContact O-N 3.21Å; A309-A311 VanDerWaalsContact C-N 3.32Å; A309-A311 PolarHBondContact O-N 2.76Å; A309-N312 PolarHBondContact O-N 3.35Å; A309-I313 WeakPolarHBondContact O-CG1 3.44Å; A309-I313 PolarHBondContact O-N 3.34Å |
| 310 | A | 94.8 | Very high | 94.1 | Very high | 12 Ų | 12 | 41.6 Ų | 41.6 | 10% | 0.099 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.6 | -33.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | G306 H307 T308 V314 | G306-A310 VanDerWaalsContact O-CB 3.25Å; G306-A310 WeakPolarHBondContact O-CB 3.29Å; G306-A310 PolarHBondContact O-N 3.03Å; H307-A310 PolarHBondContact O-N 2.83Å; T308-A310 VanDerWaalsContact C-N 3.34Å; T308-A310 PolarHBondContact O-N 3.23Å; A310-V314 WeakPolarHBondContact O-CG2 3.3Å; A310-V314 PolarHBondContact O-N 3.42Å |
| 311 | A | 95.1 | Very high | 94.2 | Very high | 6 Ų | 6 | 44.7 Ų | 44.7 | 5% | 0.05 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.2 | -40.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | H307 T308 A309 V314 A315 H323 | H307-A311 VanDerWaalsContact O-CB 3.31Å; H307-A311 WeakPolarHBondContact O-CB 3.4Å; H307-A311 PolarHBondContact O-N 3.48Å; T308-A311 PolarHBondContact O-N 3.47Å; T308-A311 VanDerWaalsContact O-N 3.13Å; A309-A311 VanDerWaalsContact C-N 3.32Å; A309-A311 PolarHBondContact O-N 2.76Å; A311-V314 PolarHBondContact O-N 3.12Å; A311-A315 VanDerWaalsContact O-CB 3.32Å; A311-A315 WeakPolarHBondContact O-CB 3.08Å; A311-A315 PolarHBondContact O-N 3.35Å; A311-H323 HydrophobicContact CB-CB 4.48Å |
| 312 | N | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.9 | -36.7 | 179.4 | -72.1 | -29.1 | 0 | 0 | 0 | 113.3 | Y266 Y278 T308 A309 A315 K316 K322 H323 | Y266-N312 VanDerWaalsContact CA-ND2 3.33Å; Y266-N312 WeakPolarHBondContact CA-ND2 3.46Å; Y266-N312 WeakPolarHBondContact CB-ND2 3.23Å; Y266-N312 PolarHBondContact O-ND2 2.93Å; Y278-N312 HydrophobicContact CE1-CB 3.95Å; T308-N312 PolarHBondContact O-N 3.3Å; T308-N312 PolarHBondContact O-ND2 2.81Å; A309-N312 PolarHBondContact O-N 3.35Å; N312-A315 PolarHBondContact O-N 3.38Å; N312-K316 WeakPolarHBondContact O-CB 3.49Å; N312-K316 PolarHBondContact O-N 2.97Å; N312-K322 WeakPolarHBondContact OD1-CA 3.23Å; N312-H323 PolarHBondContact ND2-O 2.79Å; N312-H323 PolarHBondContact OD1-N 3.35Å; N312-H323 PolarHBondContact OD1-O 2.91Å |
| 313 | I | 94.7 | Very high | 94.1 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 171 | -70 | 171.2 | 0 | 0 | 0 | 110.8 | M1 Q82 I84 Y278 A309 A315 K316 I317 | M1-I313 HydrophobicContact CE-CD1 3.66Å; M1-I313 HydrophobicContact CE-CG2 4.42Å; M1-I313 HydrophobicContact SD-CG2 4.44Å; Q82-I313 HydrophobicContact CB-CD1 4.26Å; Q82-I313 HydrophobicContact CB-CG1 4.43Å; Q82-I313 HydrophobicContact CB-CG2 4.43Å; Q82-I313 HydrophobicContact CG-CG2 4.23Å; I84-I313 HydrophobicContact CD1-CD1 3.69Å; I84-I313 HydrophobicContact CG1-CD1 3.58Å; Y278-I313 HydrophobicContact CD2-CD1 3.95Å; Y278-I313 HydrophobicContact CD2-CG1 4Å; Y278-I313 HydrophobicContact CE1-CG1 4.34Å; Y278-I313 HydrophobicContact CE2-CD1 4Å; Y278-I313 HydrophobicContact CE2-CG1 3.56Å; A309-I313 WeakPolarHBondContact O-CG1 3.44Å; A309-I313 PolarHBondContact O-N 3.34Å; I313-A315 VanDerWaalsContact C-N 3.3Å; I313-A315 PolarHBondContact O-N 2.61Å; I313-K316 PolarHBondContact O-N 2.77Å; I313-I317 HydrophobicContact CG2-CD1 3.84Å; I313-I317 WeakPolarHBondContact O-CG1 2.98Å; I313-I317 PolarHBondContact O-N 3.43Å |
| 314 | V | 93.7 | Very high | 94.2 | Very high | 18 Ų | 18 | 52.8 Ų | 52.8 | 11% | 0.109 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.2 | -41 | 176.2 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | K4 L5 A310 A311 K316 I317 K318 | K4-V314 HydrophobicContact CB-CG2 4.05Å; K4-V314 HydrophobicContact CD-CG2 4.13Å; L5-V314 HydrophobicContact CD1-CG2 4.27Å; L5-V314 HydrophobicContact CD2-CG2 3.94Å; L5-V314 HydrophobicContact CG-CG2 4.01Å; A310-V314 WeakPolarHBondContact O-CG2 3.3Å; A310-V314 PolarHBondContact O-N 3.42Å; A311-V314 PolarHBondContact O-N 3.12Å; V314-K316 VanDerWaalsContact C-N 3.34Å; V314-I317 PolarHBondContact O-N 3.43Å; V314-K318 HydrophobicContact CG1-CD 3.96Å; V314-K318 HydrophobicContact CG1-CG 4.47Å; V314-K318 WeakPolarHBondContact O-CB 3.35Å; V314-K318 WeakPolarHBondContact O-CG 3.4Å; V314-K318 PolarHBondContact O-N 2.79Å |
| 315 | A | 93.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | A311 N312 I313 K318 N319 T320 P321 | A311-A315 VanDerWaalsContact O-CB 3.32Å; A311-A315 WeakPolarHBondContact O-CB 3.08Å; A311-A315 PolarHBondContact O-N 3.35Å; N312-A315 PolarHBondContact O-N 3.38Å; I313-A315 VanDerWaalsContact C-N 3.3Å; I313-A315 PolarHBondContact O-N 2.61Å; A315-K318 CarbonylContact O-C 3.55Å; A315-K318 PolarHBondContact O-N 3.48Å; A315-N319 CarbonylContact O-C 3.53Å; A315-N319 WeakPolarHBondContact O-CA 3.45Å; A315-N319 PolarHBondContact O-N 2.7Å; A315-T320 VanDerWaalsContact CA-OG1 3.25Å; A315-T320 WeakPolarHBondContact CA-OG1 3.07Å; A315-T320 WeakPolarHBondContact CB-OG1 3.42Å; A315-T320 PolarHBondContact O-N 2.78Å; A315-P321 WeakPolarHBondContact CB-O 3.49Å |
| 316 | K | 92 | Very high | 94 | Very high | 83 Ų | 83 | 58.2 Ų | 58.2 | 36% | 0.361 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 174.4 | -177.5 | 161.1 | 176.1 | 166.5 | 0 | 112.4 | D276 N312 I313 V314 K318 N319 | D276-K316 VanDerWaalsContact OD1-CD 3.28Å; D276-K316 WeakPolarHBondContact OD1-CD 3.16Å; D276-K316 VanDerWaalsContact OD1-CE 3.25Å; D276-K316 WeakPolarHBondContact OD1-CE 3.43Å; D276-K316 IonicContact OD1-NZ 2.58Å; D276-K316 PolarHBondContact OD1-NZ 3.49Å; D276-K316 IonicContact OD2-NZ 2.82Å; D276-K316 PolarHBondContact OD2-NZ 3.5Å; N312-K316 WeakPolarHBondContact O-CB 3.49Å; N312-K316 PolarHBondContact O-N 2.97Å; I313-K316 PolarHBondContact O-N 2.77Å; V314-K316 VanDerWaalsContact C-N 3.34Å; K316-K318 VanDerWaalsContact C-N 3.28Å; K316-K318 PolarHBondContact O-N 2.78Å; K316-N319 PolarHBondContact O-N 3.25Å; K316-N319 PolarHBondContact O-OD1 3.44Å |
| 317 | I | 91.1 | Very high | 93.8 | Very high | 69 Ų | 69 | 59.6 Ų | 59.6 | 35% | 0.354 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62 | -37.9 | 177.7 | -67.9 | 167.1 | 0 | 0 | 0 | 111.3 | L5 V10 I313 V314 | L5-I317 HydrophobicContact CD1-CD1 3.81Å; L5-I317 HydrophobicContact CD2-CD1 4.31Å; V10-I317 HydrophobicContact CG2-CD1 4.29Å; I313-I317 HydrophobicContact CG2-CD1 3.84Å; I313-I317 WeakPolarHBondContact O-CG1 2.98Å; I313-I317 PolarHBondContact O-N 3.43Å; V314-I317 PolarHBondContact O-N 3.43Å |
| 318 | K | 90.5 | Very high | 93.6 | Very high | 97 Ų | 97 | 59.3 Ų | 59.3 | 42% | 0.422 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 2.7 | -177 | -63.1 | -173.3 | 179.7 | -172 | 0 | 114.1 | D8 V314 A315 K316 T320 | D8-K318 IonicContact OD2-NZ 3.28Å; D8-K318 PolarHBondContact OD2-NZ 3.27Å; V314-K318 HydrophobicContact CG1-CD 3.96Å; V314-K318 HydrophobicContact CG1-CG 4.47Å; V314-K318 WeakPolarHBondContact O-CB 3.35Å; V314-K318 WeakPolarHBondContact O-CG 3.4Å; V314-K318 PolarHBondContact O-N 2.79Å; A315-K318 CarbonylContact O-C 3.55Å; A315-K318 PolarHBondContact O-N 3.48Å; K316-K318 VanDerWaalsContact C-N 3.28Å; K316-K318 PolarHBondContact O-N 2.78Å; K318-T320 VanDerWaalsContact C-N 3.26Å; K318-T320 HydrophobicContact CB-CG2 4.16Å; K318-T320 PolarHBondContact O-N 2.82Å |
| 319 | N | 91.5 | Very high | 93.1 | Very high | 152 Ų | 152 | 61 Ų | 61 | 81% | 0.813 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 41.9 | -173.6 | -63.5 | -48.5 | 0 | 0 | 0 | 113.8 | A315 K316 | A315-N319 CarbonylContact O-C 3.53Å; A315-N319 WeakPolarHBondContact O-CA 3.45Å; A315-N319 PolarHBondContact O-N 2.7Å; K316-N319 PolarHBondContact O-N 3.25Å; K316-N319 PolarHBondContact O-OD1 3.44Å |
| 320 | T | 93.9 | Very high | 92.5 | Very high | 72 Ų | 72 | 66.3 Ų | 66.3 | 44% | 0.442 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -102.7 | 162.9 | 173.3 | 64.4 | 0 | 0 | 0 | 0 | 111.2 | A315 K318 | A315-T320 VanDerWaalsContact CA-OG1 3.25Å; A315-T320 WeakPolarHBondContact CA-OG1 3.07Å; A315-T320 WeakPolarHBondContact CB-OG1 3.42Å; A315-T320 PolarHBondContact O-N 2.78Å; K318-T320 VanDerWaalsContact C-N 3.26Å; K318-T320 HydrophobicContact CB-CG2 4.16Å; K318-T320 PolarHBondContact O-N 2.82Å |
| 321 | P | 94.8 | Very high | 92.1 | Very high | 110 Ų | 110 | 66 Ų | 66 | 71% | 0.714 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 143.8 | 177.1 | -25.8 | 35.4 | 0 | 0 | 0 | 112.8 | A315 | A315-P321 WeakPolarHBondContact CB-O 3.49Š|
| 322 | K | 93.6 | Very high | 91.9 | Very high | 87 Ų | 87 | 67.1 Ų | 67.1 | 38% | 0.378 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 156.6 | 174.1 | -68.8 | -176 | 178.3 | 177.4 | 0 | 111 | Y266 N312 | Y266-K322 HydrophobicContact CD1-CB 3.51Å; Y266-K322 HydrophobicContact CD1-CD 3.88Å; Y266-K322 HydrophobicContact CD1-CG 4.32Å; Y266-K322 HydrophobicContact CD2-CD 4.11Å; Y266-K322 HydrophobicContact CE1-CB 3.47Å; Y266-K322 VanDerWaalsContact CE1-CB 3.47Å; Y266-K322 HydrophobicContact CE1-CD 4.19Å; Y266-K322 HydrophobicContact CE1-CG 4.5Å; Y266-K322 HydrophobicContact CE2-CD 4.43Å; Y266-K322 HydrophobicContact CG-CB 4.33Å; Y266-K322 HydrophobicContact CG-CD 3.82Å; N312-K322 WeakPolarHBondContact OD1-CA 3.23Å |
| 323 | H | 92.6 | Very high | 91.7 | Very high | 104 Ų | 104 | 69.2 Ų | 69.2 | 48% | 0.481 | 35% | 0.347 | S | S | . | . | trans | -108.3 | 119.7 | 177.1 | -61.2 | -78.4 | 0 | 0 | 0 | 109.8 | Y266 T308 A311 N312 | Y266-H323 WeakPolarHBondContact CD1-O 3.26Å; T308-H323 WeakPolarHBondContact CG2-O 3.38Å; A311-H323 HydrophobicContact CB-CB 4.48Å; N312-H323 PolarHBondContact ND2-O 2.79Å; N312-H323 PolarHBondContact OD1-N 3.35Å; N312-H323 PolarHBondContact OD1-O 2.91Å | ||
| 324 | E | 94.7 | Very high | 91.7 | Very high | 109 Ų | 109 | 69.2 Ų | 69.2 | 51% | 0.509 | 35% | 0.347 | S | S | . | . | trans | -69.2 | 142.4 | 170.6 | -63.2 | 173 | -179.7 | 0 | 0 | 110.4 | E265 Y266 K326 | E265-E324 HydrophobicContact CG-CG 4.11Å; Y266-E324 HydrophobicContact CE1-CG 3.73Å; E324-K326 PolarHBondContact O-N 2.65Å | ||
| 325 | F | 95.2 | Very high | 91.8 | Very high | 3 Ų | 3 | 68.4 Ų | 68.4 | 1% | 0.013 | 34% | 0.342 | C | S | . | . | trans | -65.8 | 128 | 170.6 | 179 | -91.9 | 0 | 0 | 0 | 109.6 | E265 M267 Y286 T295 Q304 T305 T308 | E265-F325 WeakPolarHBondContact O-CB 3.28Å; E265-F325 PolarHBondContact O-N 3.3Å; M267-F325 HydrophobicContact CE-CB 3.76Å; M267-F325 HydrophobicContact CE-CD2 4.39Å; M267-F325 HydrophobicContact CE-CG 4.04Å; M267-F325 HydrophobicContact SD-CB 4.46Å; M267-F325 HydrophobicContact SD-CD2 4.15Å; M267-F325 HydrophobicContact SD-CG 4.41Å; Y286-F325 AromaticContact CD1-CD1 3.81Å; Y286-F325 HydrophobicContact CD1-CD1 3.81Å; Y286-F325 HydrophobicContact CD1-CE1 4.36Å; Y286-F325 HydrophobicContact CD1-CG 4.41Å; Y286-F325 HydrophobicContact CE1-CB 4.18Å; Y286-F325 AromaticContact CE1-CD1 3.64Å; Y286-F325 HydrophobicContact CE1-CD1 3.64Å; Y286-F325 HydrophobicContact CE1-CE1 4.47Å; Y286-F325 HydrophobicContact CE1-CG 4.28Å; T295-F325 HydrophobicContact CG2-CE1 3.86Å; T295-F325 HydrophobicContact CG2-CZ 4.04Å; Q304-F325 HydrophobicContact CB-CE2 3.67Å; Q304-F325 HydrophobicContact CB-CZ 4.28Å; T305-F325 HydrophobicContact CG2-CD2 4.03Å; T305-F325 HydrophobicContact CG2-CE2 3.49Å; T305-F325 VanDerWaalsContact CG2-CE2 3.49Å; T305-F325 HydrophobicContact CG2-CZ 4.05Å; T308-F325 HydrophobicContact CG2-CB 4.01Å; T308-F325 WeakPolarHBondContact OG1-CD2 3.41Å | ||
| 326 | K | 93.5 | Very high | 92 | Very high | 151 Ų | 151 | 68.3 Ų | 68.3 | 66% | 0.657 | 34% | 0.342 | S | S | * | . | trans | -127.7 | 121.1 | 167.8 | -67.4 | -170.5 | 177.2 | -175.7 | 0 | 110.1 | E288 E324 | E288-K326 VanDerWaalsContact OE1-CA 3.25Å; E288-K326 WeakPolarHBondContact OE1-CA 3.44Å; E324-K326 PolarHBondContact O-N 2.65Å | ||
| 327 | S | 91 | Very high | 92.1 | Very high | 46 Ų | 46 | 64.4 Ų | 64.4 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | trans | -70 | 134 | 177.9 | 60 | 0 | 0 | 0 | 0 | 110.7 | E288 | E288-S327 PolarHBondContact OE1-N 3.35Å; E288-S327 WeakPolarHBondContact OE2-CB 3.37Å; E288-S327 PolarHBondContact OE2-N 2.76Å; E288-S327 PolarHBondContact OE2-OG 3.45Å | ||
| 328 | N | 89.2 | Confident | 92.2 | Very high | 110 Ų | 110 | 61.3 Ų | 61.3 | 59% | 0.588 | 31% | 0.309 | S | S | * | . | trans | -146.7 | 82 | 171.5 | -177.2 | 8.9 | 0 | 0 | 0 | 109 | Q304 Q330 | Q304-N328 PolarHBondContact NE2-O 3.12Å; Q304-N328 VanDerWaalsContact OE1-N 3.08Å; N328-Q330 PolarHBondContact O-N 3.36Å | ||
| 329 | Y | 87.6 | Confident | 92.2 | Very high | 46 Ų | 46 | 59.7 Ų | 59.7 | 18% | 0.18 | 30% | 0.302 | C | S | . | . | trans | -78.4 | 116.6 | -179.4 | -54.8 | -52 | 0 | 0 | 0 | 109.7 | P296 I298 Q300 A301 G331 | P296-Y329 VanDerWaalsContact CD-OH 3.26Å; P296-Y329 WeakPolarHBondContact CD-OH 3.44Å; P296-Y329 HydrophobicContact CG-CD2 4.37Å; P296-Y329 HydrophobicContact CG-CE1 4.32Å; P296-Y329 HydrophobicContact CG-CE2 3.57Å; I298-Y329 HydrophobicContact CD1-CD1 3.93Å; I298-Y329 HydrophobicContact CD1-CE1 4.13Å; I298-Y329 HydrophobicContact CD1-CG 4.21Å; Q300-Y329 HydrophobicContact CB-CD1 3.86Å; Q300-Y329 HydrophobicContact CB-CE1 4.41Å; A301-Y329 HydrophobicContact CB-CE1 3.86Å; Y329-G331 PolarHBondContact O-N 2.98Å | ||
| 330 | Q | 83.5 | Confident | 92.5 | Very high | 113 Ų | 113 | 54.6 Ų | 54.6 | 53% | 0.528 | 27% | 0.272 | S | S | . | . | trans | -79 | 2.2 | -171.5 | -63.7 | -177.6 | 1 | 0 | 0 | 113.3 | N328 M346 | N328-Q330 PolarHBondContact O-N 3.36Å; Q330-M346 PolarHBondContact O-N 3.1Å | ||
| 331 | G | 86.5 | Confident | 92.6 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 130.3 | 173.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | Q300 Y329 N344 | Q300-G331 PolarHBondContact NE2-O 3.26Å; Q300-G331 VanDerWaalsContact NE2-O 3.09Å; Y329-G331 PolarHBondContact O-N 2.98Å; G331-N344 CarbonylContact C-O 3.5Å; G331-N344 WeakPolarHBondContact CA-O 3.33Å |
| 332 | F | 90.3 | Very high | 92.7 | Very high | 31 Ų | 31 | 46 Ų | 46 | 14% | 0.136 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 141.9 | -176.6 | -60.3 | -73.7 | 0 | 0 | 0 | 110.4 | F148 M189 L190 I298 A343 N344 | F148-F332 HydrophobicContact CE1-CB 4.46Å; F148-F332 AromaticContact CE2-CD1 3.52Å; F148-F332 HydrophobicContact CE2-CD1 3.52Å; F148-F332 HydrophobicContact CE2-CE1 4.02Å; F148-F332 HydrophobicContact CE2-CG 4.27Å; F148-F332 HydrophobicContact CZ-CB 3.9Å; F148-F332 AromaticContact CZ-CD1 3.48Å; F148-F332 HydrophobicContact CZ-CD1 3.48Å; F148-F332 VanDerWaalsContact CZ-CD1 3.48Å; F148-F332 HydrophobicContact CZ-CE1 4.16Å; F148-F332 AromaticContact CZ-CG 3.77Å; F148-F332 HydrophobicContact CZ-CG 3.77Å; M189-F332 HydrophobicContact CE-CE1 4.4Å; M189-F332 HydrophobicContact CE-CZ 4Å; L190-F332 HydrophobicContact CD2-CB 3.45Å; L190-F332 VanDerWaalsContact CD2-CB 3.45Å; L190-F332 HydrophobicContact CD2-CD2 4.43Å; L190-F332 HydrophobicContact CD2-CG 4.24Å; I298-F332 HydrophobicContact CD1-CE1 3.64Å; I298-F332 HydrophobicContact CD1-CZ 4.21Å; F332-A343 CarbonylContact O-C 3.5Å; F332-A343 WeakPolarHBondContact O-CA 3.23Å; F332-N344 PolarHBondContact N-O 2.74Å; F332-N344 PolarHBondContact O-N 2.65Å |
| 333 | M | 92.8 | Very high | 92.7 | Very high | 43 Ų | 43 | 41.9 Ų | 41.9 | 21% | 0.212 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 136.9 | 177.1 | -61.4 | 173.3 | -76.1 | 0 | 0 | 108.5 | V342 A343 L345 V359 K360 V363 | M333-V342 CarbonylContact C-O 3.56Å; M333-V342 WeakPolarHBondContact CA-O 3.3Å; M333-A343 HydrophobicContact CB-CB 4.43Å; M333-A343 HydrophobicContact CG-CB 3.69Å; M333-L345 HydrophobicContact SD-CD2 4.45Å; M333-V359 HydrophobicContact SD-CG1 3.86Å; M333-K360 HydrophobicContact SD-CB 4.31Å; M333-V363 HydrophobicContact CE-CB 3.81Å; M333-V363 HydrophobicContact CE-CG1 3.81Å; M333-V363 HydrophobicContact CE-CG2 3.79Å; M333-V363 HydrophobicContact SD-CB 4.5Å; M333-V363 HydrophobicContact SD-CG2 4.09Å |
| 334 | V | 94.5 | Very high | 92.6 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.024 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 115 | 179.8 | -174 | 0 | 0 | 0 | 0 | 107.9 | F148 I151 E152 L187 L190 G341 V342 | F148-V334 HydrophobicContact CB-CG2 4.49Å; F148-V334 HydrophobicContact CD1-CG2 3.23Å; F148-V334 HydrophobicContact CE1-CG2 3.6Å; F148-V334 HydrophobicContact CG-CG2 4.09Å; I151-V334 HydrophobicContact CB-CG1 4.06Å; I151-V334 HydrophobicContact CG2-CG1 3.71Å; E152-V334 HydrophobicContact CG-CG1 4.12Å; L187-V334 HydrophobicContact CD2-CG1 4.17Å; L187-V334 HydrophobicContact CD2-CG2 4.14Å; L190-V334 HydrophobicContact CD1-CG2 4.01Å; V334-G341 CarbonylContact O-C 3.38Å; V334-G341 WeakPolarHBondContact O-CA 3.38Å; V334-V342 PolarHBondContact N-O 3.01Å; V334-V342 PolarHBondContact O-N 2.97Å |
| 335 | S | 95.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 144 | 169.8 | 28.7 | 0 | 0 | 0 | 0 | 111.1 | E152 K360 | E152-S335 WeakPolarHBondContact CA-O 3.33Å; E152-S335 WeakPolarHBondContact CG-O 3.3Å; E152-S335 PolarHBondContact OE1-OG 2.88Å; S335-K360 PolarHBondContact OG-NZ 3.07Å |
| 336 | I | 96.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -123.3 | 78.1 | 168.5 | -47.5 | -171.8 | 0 | 0 | 0 | 106.6 | I151 M158 A198 F201 M202 W340 | I151-I336 HydrophobicContact CG2-CD1 3.9Å; I151-I336 HydrophobicContact CG2-CG1 3.85Å; M158-I336 HydrophobicContact CE-CG2 4.34Å; M158-I336 WeakPolarHBondContact CE-O 3.28Å; A198-I336 HydrophobicContact CB-CD1 3.76Å; F201-I336 HydrophobicContact CD1-CB 4.1Å; F201-I336 HydrophobicContact CD1-CD1 4.15Å; F201-I336 HydrophobicContact CD1-CG2 3.94Å; F201-I336 HydrophobicContact CE1-CB 3.95Å; F201-I336 HydrophobicContact CE1-CG2 3.78Å; M202-I336 HydrophobicContact CG-CD1 3.79Å; M202-I336 HydrophobicContact CG-CG2 3.97Å; M202-I336 HydrophobicContact SD-CD1 4.19Å; I336-W340 CarbonylContact C-O 3.47Å; I336-W340 WeakPolarHBondContact CA-O 3.08Å; I336-W340 HydrophobicContact CB-CE3 4.12Å; I336-W340 HydrophobicContact CD1-CE3 3.94Å; I336-W340 HydrophobicContact CD1-CZ3 3.59Å; I336-W340 HydrophobicContact CG1-CE3 4.04Å; I336-W340 HydrophobicContact CG1-CZ3 4.09Å; I336-W340 PolarHBondContact N-O 3.24Å |
| 337 | G | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 79.5 | -170.6 | -167.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G155 E156 K339 | G155-G337 VanDerWaalsContact CA-N 3.33Å; G155-G337 WeakPolarHBondContact O-CA 3.43Å; E156-G337 WeakPolarHBondContact OE1-CA 3.32Å; G337-K339 VanDerWaalsContact C-N 3.34Å; G337-K339 PolarHBondContact O-N 2.93Å |
| 338 | S | 92.8 | Very high | 91 | Very high | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.028 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -79.3 | -11.1 | -172.6 | 61.6 | 0 | 0 | 0 | 0 | 115.2 | R34 E159 R392 N393 V394 | R34-S338 VanDerWaalsContact NH1-CB 3.28Å; R34-S338 VanDerWaalsContact NH1-N 3.12Å; E159-S338 VanDerWaalsContact CD-OG 3.23Å; E159-S338 PolarHBondContact OE1-N 3.12Å; E159-S338 PolarHBondContact OE1-OG 3.28Å; E159-S338 VanDerWaalsContact OE1-OG 3.08Å; E159-S338 VanDerWaalsContact OE2-CB 3.27Å; E159-S338 WeakPolarHBondContact OE2-CB 3.47Å; E159-S338 PolarHBondContact OE2-N 3.47Å; E159-S338 PolarHBondContact OE2-OG 3.34Å; S338-R392 WeakPolarHBondContact CB-O 3.3Å; S338-R392 WeakPolarHBondContact OG-CA 3.45Å; S338-R392 PolarHBondContact OG-O 3.46Å; S338-N393 PolarHBondContact OG-N 2.92Å; S338-V394 PolarHBondContact O-N 2.98Å |
| 339 | K | 91.7 | Very high | 91 | Very high | 64 Ų | 64 | 42.8 Ų | 42.8 | 28% | 0.278 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -119.5 | -10.6 | -165.3 | -71.4 | 160.6 | -167.9 | 169.2 | 0 | 114.8 | G337 D391 R396 | G337-K339 VanDerWaalsContact C-N 3.34Å; G337-K339 PolarHBondContact O-N 2.93Å; K339-D391 WeakPolarHBondContact CE-O 3.48Å; K339-D391 PolarHBondContact NZ-O 3.02Å; K339-R396 HydrophobicContact CD-CG 4.19Å; K339-R396 HydrophobicContact CG-CG 4.36Å |
| 340 | W | 96.2 | Very high | 91.3 | Very high | 44 Ų | 44 | 44.2 Ų | 44.2 | 17% | 0.167 | 21% | 0.211 | C | C | . | . | trans | -149.8 | 137.2 | -174.4 | -164.4 | 100.3 | 0 | 0 | 0 | 110.3 | K197 A198 F201 I336 V342 | K197-W340 HydrophobicContact CB-CH2 4.32Å; K197-W340 WeakPolarHBondContact O-CH2 3.17Å; A198-W340 HydrophobicContact CB-CZ3 4.36Å; F201-W340 HydrophobicContact CB-CD2 4.15Å; F201-W340 HydrophobicContact CB-CE3 4.1Å; F201-W340 HydrophobicContact CB-CH2 3.73Å; F201-W340 HydrophobicContact CB-CZ2 3.76Å; F201-W340 HydrophobicContact CB-CZ3 3.89Å; F201-W340 AromaticContact CD1-CD2 3.69Å; F201-W340 HydrophobicContact CD1-CD2 3.69Å; F201-W340 AromaticContact CD1-CE3 3.47Å; F201-W340 HydrophobicContact CD1-CE3 3.47Å; F201-W340 VanDerWaalsContact CD1-CE3 3.47Å; F201-W340 HydrophobicContact CD1-CG 4.14Å; F201-W340 AromaticContact CD1-CZ3 3.97Å; F201-W340 HydrophobicContact CD1-CZ3 3.97Å; F201-W340 HydrophobicContact CD2-CB 4.46Å; F201-W340 AromaticContact CD2-CD1 3.65Å; F201-W340 AromaticContact CD2-CD2 3.61Å; F201-W340 HydrophobicContact CD2-CD2 3.61Å; F201-W340 AromaticContact CD2-CE2 3.64Å; F201-W340 HydrophobicContact CD2-CE3 4.23Å; F201-W340 AromaticContact CD2-CG 3.67Å; F201-W340 HydrophobicContact CD2-CG 3.67Å; F201-W340 HydrophobicContact CD2-CZ2 4.3Å; F201-W340 AromaticContact CD2-NE1 3.64Å; F201-W340 HydrophobicContact CE1-CB 3.82Å; F201-W340 AromaticContact CE1-CD2 3.92Å; F201-W340 HydrophobicContact CE1-CD2 3.92Å; F201-W340 AromaticContact CE1-CE3 3.88Å; F201-W340 HydrophobicContact CE1-CE3 3.88Å; F201-W340 AromaticContact CE1-CG 3.9Å; F201-W340 HydrophobicContact CE1-CG 3.9Å; F201-W340 HydrophobicContact CE2-CB 3.76Å; F201-W340 AromaticContact CE2-CD1 3.46Å; F201-W340 VanDerWaalsContact CE2-CD1 3.46Å; F201-W340 AromaticContact CE2-CD2 3.84Å; F201-W340 HydrophobicContact CE2-CD2 3.84Å; F201-W340 AromaticContact CE2-CG 3.4Å; F201-W340 HydrophobicContact CE2-CG 3.4Å; F201-W340 AromaticContact CE2-NE1 3.97Å; F201-W340 AromaticContact CG-CD2 3.52Å; F201-W340 HydrophobicContact CG-CD2 3.52Å; F201-W340 AromaticContact CG-CE2 3.71Å; F201-W340 AromaticContact CG-CE3 3.66Å; F201-W340 HydrophobicContact CG-CE3 3.66Å; F201-W340 HydrophobicContact CG-CG 4.03Å; F201-W340 HydrophobicContact CG-CH2 4.18Å; F201-W340 HydrophobicContact CG-CZ2 4.06Å; F201-W340 AromaticContact CG-CZ3 3.98Å; F201-W340 HydrophobicContact CG-CZ3 3.98Å; F201-W340 HydrophobicContact CZ-CB 3.39Å; F201-W340 AromaticContact CZ-CD2 3.99Å; F201-W340 HydrophobicContact CZ-CD2 3.99Å; F201-W340 HydrophobicContact CZ-CE3 4.41Å; F201-W340 AromaticContact CZ-CG 3.52Å; F201-W340 HydrophobicContact CZ-CG 3.52Å; I336-W340 CarbonylContact C-O 3.47Å; I336-W340 WeakPolarHBondContact CA-O 3.08Å; I336-W340 HydrophobicContact CB-CE3 4.12Å; I336-W340 HydrophobicContact CD1-CE3 3.94Å; I336-W340 HydrophobicContact CD1-CZ3 3.59Å; I336-W340 HydrophobicContact CG1-CE3 4.04Å; I336-W340 HydrophobicContact CG1-CZ3 4.09Å; I336-W340 PolarHBondContact N-O 3.24Å; W340-V342 HydrophobicContact CH2-CG2 3.31Å; W340-V342 HydrophobicContact CZ2-CG2 4.35Å; W340-V342 HydrophobicContact CZ3-CG2 3.48Å; W340-V342 VanDerWaalsContact CZ3-CG2 3.48Å | ||
| 341 | G | 96.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | -177.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V334 S352 G353 A356 | V334-G341 CarbonylContact O-C 3.38Å; V334-G341 WeakPolarHBondContact O-CA 3.38Å; G341-S352 CarbonylContact O-C 3.04Å; G341-S352 WeakPolarHBondContact O-CA 3.26Å; G341-G353 PolarHBondContact O-N 2.98Å; G341-A356 WeakPolarHBondContact O-CB 3.38Å |
| 342 | V | 96.5 | Very high | 92.2 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 139.7 | 171.3 | -173.4 | 0 | 0 | 0 | 0 | 108.6 | D194 K197 A198 M333 V334 W340 | D194-V342 HydrophobicContact CB-CG1 3.58Å; K197-V342 HydrophobicContact CB-CG2 4.47Å; A198-V342 HydrophobicContact CB-CG2 4.03Å; M333-V342 CarbonylContact C-O 3.56Å; M333-V342 WeakPolarHBondContact CA-O 3.3Å; V334-V342 PolarHBondContact N-O 3.01Å; V334-V342 PolarHBondContact O-N 2.97Å; W340-V342 HydrophobicContact CH2-CG2 3.31Å; W340-V342 HydrophobicContact CZ2-CG2 4.35Å; W340-V342 HydrophobicContact CZ3-CG2 3.48Å; W340-V342 VanDerWaalsContact CZ3-CG2 3.48Å |
| 343 | A | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 126.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | F332 M333 H350 L351 A356 | F332-A343 CarbonylContact O-C 3.5Å; F332-A343 WeakPolarHBondContact O-CA 3.23Å; M333-A343 HydrophobicContact CB-CB 4.43Å; M333-A343 HydrophobicContact CG-CB 3.69Å; A343-H350 WeakPolarHBondContact O-CA 3.44Å; A343-L351 HydrophobicContact CB-CB 4.32Å; A343-L351 PolarHBondContact N-O 3.16Å; A343-L351 PolarHBondContact O-N 3.31Å; A343-A356 HydrophobicContact CB-CB 3.92Å |
| 344 | N | 91.9 | Very high | 92.3 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 120.7 | 165.9 | 178.3 | -13 | 0 | 0 | 0 | 106.9 | D191 G331 F332 D347 I349 H350 | D191-N344 PolarHBondContact OD2-ND2 2.76Å; D191-N344 VanDerWaalsContact OD2-ND2 3.11Å; G331-N344 CarbonylContact C-O 3.5Å; G331-N344 WeakPolarHBondContact CA-O 3.33Å; F332-N344 PolarHBondContact N-O 2.74Å; F332-N344 PolarHBondContact O-N 2.65Å; N344-D347 WeakPolarHBondContact OD1-CA 3.27Å; N344-D347 PolarHBondContact OD1-N 3.47Å; N344-I349 WeakPolarHBondContact CA-O 3.4Å; N344-H350 PolarHBondContact ND2-CE1 2.91Å |
| 345 | L | 89.6 | Confident | 92.3 | Very high | 35 Ų | 35 | 49.8 Ų | 49.8 | 18% | 0.183 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130.7 | 178.4 | -50.6 | 161.3 | 0 | 0 | 0 | 110 | M333 D347 K348 I349 L351 V359 | M333-L345 HydrophobicContact SD-CD2 4.45Å; L345-D347 PolarHBondContact O-N 3.34Å; L345-D347 VanDerWaalsContact O-N 3.07Å; L345-K348 PolarHBondContact O-N 3.25Å; L345-K348 VanDerWaalsContact O-N 3.11Å; L345-I349 HydrophobicContact CB-CB 4.2Å; L345-I349 HydrophobicContact CD1-CB 4.47Å; L345-I349 HydrophobicContact CD1-CG2 4.25Å; L345-I349 PolarHBondContact N-O 2.97Å; L345-I349 PolarHBondContact O-N 3.05Å; L345-L351 HydrophobicContact CD1-CD1 4.4Å; L345-V359 HydrophobicContact CD1-CG1 3.88Å; L345-V359 HydrophobicContact CD2-CG1 4.07Å; L345-V359 HydrophobicContact CG-CG1 4.48Å |
| 346 | M | 84.8 | Confident | 92.2 | Very high | 125 Ų | 125 | 49.9 Ų | 49.9 | 62% | 0.616 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 32.4 | 176.1 | -55 | -178.7 | -179.5 | 0 | 0 | 113.6 | Q330 K348 | Q330-M346 PolarHBondContact O-N 3.1Å; M346-K348 WeakPolarHBondContact O-CG 3.4Å; M346-K348 PolarHBondContact O-N 3.2Å |
| 347 | D | 79.6 | Confident | 92.1 | Very high | 114 Ų | 114 | 50 Ų | 50 | 61% | 0.61 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 15.3 | -177.1 | -54.2 | -40.3 | 0 | 0 | 0 | 115.6 | N344 L345 | N344-D347 WeakPolarHBondContact OD1-CA 3.27Å; N344-D347 PolarHBondContact OD1-N 3.47Å; L345-D347 PolarHBondContact O-N 3.34Å; L345-D347 VanDerWaalsContact O-N 3.07Å |
| 348 | K | 85.9 | Confident | 92 | Very high | 178 Ų | 178 | 52.4 Ų | 52.4 | 77% | 0.774 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.3 | -34.7 | -173.7 | -71.5 | 177.6 | -175.9 | 178.7 | 0 | 113 | L345 M346 | L345-K348 PolarHBondContact O-N 3.25Å; L345-K348 VanDerWaalsContact O-N 3.11Å; M346-K348 WeakPolarHBondContact O-CG 3.4Å; M346-K348 PolarHBondContact O-N 3.2Å |
| 349 | I | 89.7 | Confident | 92 | Very high | 86 Ų | 86 | 53.4 Ų | 53.4 | 44% | 0.441 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 106.4 | -173 | -55.7 | 175.3 | 0 | 0 | 0 | 108.3 | N344 L345 L351 | N344-I349 WeakPolarHBondContact CA-O 3.4Å; L345-I349 HydrophobicContact CB-CB 4.2Å; L345-I349 HydrophobicContact CD1-CB 4.47Å; L345-I349 HydrophobicContact CD1-CG2 4.25Å; L345-I349 PolarHBondContact N-O 2.97Å; L345-I349 PolarHBondContact O-N 3.05Å; I349-L351 HydrophobicContact CG2-CD1 4.21Å; I349-L351 HydrophobicContact CG2-CD2 4.3Å; I349-L351 HydrophobicContact CG2-CG 3.96Å |
| 350 | H | 92.5 | Very high | 92 | Very high | 75 Ų | 75 | 51.1 Ų | 51.1 | 35% | 0.347 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 112.1 | 177.2 | -56.8 | -86.7 | 0 | 0 | 0 | 110 | D191 D194 A343 N344 | D191-H350 IonicContact OD2-CE1 2.74Å; D191-H350 PolarHBondContact OD2-CE1 3.04Å; D191-H350 IonicContact OD2-ND1 2.94Å; D194-H350 IonicContact OD1-ND1 3.09Å; D194-H350 IonicContact OD2-CE1 3.77Å; D194-H350 IonicContact OD2-CG 2.85Å; D194-H350 IonicContact OD2-ND1 3.14Å; D194-H350 PolarHBondContact OD2-ND1 2.86Å; A343-H350 WeakPolarHBondContact O-CA 3.44Å; N344-H350 PolarHBondContact ND2-CE1 2.91Å |
| 351 | L | 94.9 | Very high | 91.9 | Very high | 44 Ų | 44 | 49.4 Ų | 49.4 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 150.1 | 178.1 | -60 | 172.1 | 0 | 0 | 0 | 110.4 | A343 L345 I349 A356 V359 | A343-L351 HydrophobicContact CB-CB 4.32Å; A343-L351 PolarHBondContact N-O 3.16Å; A343-L351 PolarHBondContact O-N 3.31Å; L345-L351 HydrophobicContact CD1-CD1 4.4Å; I349-L351 HydrophobicContact CG2-CD1 4.21Å; I349-L351 HydrophobicContact CG2-CD2 4.3Å; I349-L351 HydrophobicContact CG2-CG 3.96Å; L351-A356 HydrophobicContact CB-CB 4.36Å; L351-V359 HydrophobicContact CD1-CG2 3.67Å |
| 352 | S | 94.5 | Very high | 91.6 | Very high | 53 Ų | 53 | 53.9 Ų | 53.9 | 37% | 0.371 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 156.7 | 173.6 | 63.7 | 0 | 0 | 0 | 0 | 111.2 | G341 | G341-S352 CarbonylContact O-C 3.04Å; G341-S352 WeakPolarHBondContact O-CA 3.26Å |
| 353 | G | 94.1 | Very high | 91.4 | Very high | 8 Ų | 8 | 56.4 Ų | 56.4 | 8% | 0.082 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.1 | -141.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G341 L355 A356 I357 | G341-G353 PolarHBondContact O-N 2.98Å; G353-L355 VanDerWaalsContact C-N 3.31Å; G353-L355 PolarHBondContact O-N 3.07Å; G353-A356 WeakPolarHBondContact O-CB 3.4Å; G353-A356 PolarHBondContact O-N 3.18Å; G353-I357 PolarHBondContact O-N 3.18Å |
| 354 | F | 92.4 | Very high | 91.3 | Very high | 105 Ų | 105 | 57.2 Ų | 57.2 | 46% | 0.461 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58 | -41 | -173.4 | 169.9 | -95.8 | 0 | 0 | 0 | 112.8 | A356 I357 V358 V394 | F354-A356 VanDerWaalsContact C-N 3.3Å; F354-A356 PolarHBondContact O-N 3.13Å; F354-I357 PolarHBondContact O-N 2.92Å; F354-V358 HydrophobicContact CD1-CG2 4.07Å; F354-V358 HydrophobicContact CE1-CG2 3.56Å; F354-V358 HydrophobicContact CE2-CG2 4.16Å; F354-V358 HydrophobicContact CZ-CG2 3.61Å; F354-V358 WeakPolarHBondContact O-CG2 3.48Å; F354-V358 PolarHBondContact O-N 3.47Å; F354-V394 HydrophobicContact CD2-CG2 3.71Å; F354-V394 HydrophobicContact CE2-CG2 3.4Å; F354-V394 WeakPolarHBondContact CE2-O 3.24Å; F354-V394 HydrophobicContact CZ-CG2 4.2Å |
| 355 | L | 93.1 | Very high | 91.3 | Very high | 103 Ų | 103 | 58.2 Ų | 58.2 | 54% | 0.539 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.7 | -33.3 | -179.5 | -67.6 | 177.3 | 0 | 0 | 0 | 112.6 | G353 I357 V358 V359 | G353-L355 VanDerWaalsContact C-N 3.31Å; G353-L355 PolarHBondContact O-N 3.07Å; L355-I357 VanDerWaalsContact C-N 3.33Å; L355-V358 PolarHBondContact O-N 3.5Å; L355-V359 WeakPolarHBondContact O-CG2 3.26Å; L355-V359 PolarHBondContact O-N 3.22Å |
| 356 | A | 94.4 | Very high | 91.3 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 2% | 0.017 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G341 A343 L351 G353 F354 V359 K360 | G341-A356 WeakPolarHBondContact O-CB 3.38Å; A343-A356 HydrophobicContact CB-CB 3.92Å; L351-A356 HydrophobicContact CB-CB 4.36Å; G353-A356 WeakPolarHBondContact O-CB 3.4Å; G353-A356 PolarHBondContact O-N 3.18Å; F354-A356 VanDerWaalsContact C-N 3.3Å; F354-A356 PolarHBondContact O-N 3.13Å; A356-V359 PolarHBondContact O-N 2.92Å; A356-K360 PolarHBondContact O-N 3.04Å |
| 357 | I | 94.5 | Very high | 91.6 | Very high | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.5 | -41.5 | 175.5 | -60.2 | -57.9 | 0 | 0 | 0 | 111.5 | G353 F354 L355 V359 K360 H361 V394 | G353-I357 PolarHBondContact O-N 3.18Å; F354-I357 PolarHBondContact O-N 2.92Å; L355-I357 VanDerWaalsContact C-N 3.33Å; I357-V359 VanDerWaalsContact C-N 3.29Å; I357-V359 PolarHBondContact O-N 3.43Å; I357-K360 WeakPolarHBondContact O-CB 3.49Å; I357-K360 PolarHBondContact O-N 2.99Å; I357-H361 WeakPolarHBondContact CG2-NE2 3.49Å; I357-H361 PolarHBondContact O-CD2 2.84Å; I357-H361 PolarHBondContact O-N 2.93Å; I357-V394 HydrophobicContact CB-CG2 4.22Å; I357-V394 HydrophobicContact CG2-CB 3.88Å; I357-V394 HydrophobicContact CG2-CG2 3.67Å |
| 358 | V | 92.1 | Very high | 92.1 | Very high | 49 Ų | 49 | 52.7 Ų | 52.7 | 30% | 0.297 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.7 | -45.2 | 174.1 | 173 | 0 | 0 | 0 | 0 | 110.6 | F354 L355 H361 L362 V394 | F354-V358 HydrophobicContact CD1-CG2 4.07Å; F354-V358 HydrophobicContact CE1-CG2 3.56Å; F354-V358 HydrophobicContact CE2-CG2 4.16Å; F354-V358 HydrophobicContact CZ-CG2 3.61Å; F354-V358 WeakPolarHBondContact O-CG2 3.48Å; F354-V358 PolarHBondContact O-N 3.47Å; L355-V358 PolarHBondContact O-N 3.5Å; V358-H361 PolarHBondContact O-N 2.9Å; V358-L362 HydrophobicContact CG1-CD1 4.11Å; V358-L362 HydrophobicContact CG1-CG 4.48Å; V358-L362 WeakPolarHBondContact O-CG 3.3Å; V358-L362 PolarHBondContact O-N 2.92Å; V358-V394 HydrophobicContact CG2-CG2 4.07Å |
| 359 | V | 92.4 | Very high | 92.1 | Very high | 26 Ų | 26 | 50.3 Ų | 50.3 | 16% | 0.158 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 175.7 | 170.4 | 0 | 0 | 0 | 0 | 111.9 | M333 L345 L351 L355 A356 I357 H361 L362 V363 | M333-V359 HydrophobicContact SD-CG1 3.86Å; L345-V359 HydrophobicContact CD1-CG1 3.88Å; L345-V359 HydrophobicContact CD2-CG1 4.07Å; L345-V359 HydrophobicContact CG-CG1 4.48Å; L351-V359 HydrophobicContact CD1-CG2 3.67Å; L355-V359 WeakPolarHBondContact O-CG2 3.26Å; L355-V359 PolarHBondContact O-N 3.22Å; A356-V359 PolarHBondContact O-N 2.92Å; I357-V359 VanDerWaalsContact C-N 3.29Å; I357-V359 PolarHBondContact O-N 3.43Å; V359-H361 VanDerWaalsContact C-N 3.32Å; V359-H361 PolarHBondContact O-N 3.5Å; V359-L362 PolarHBondContact O-N 3.36Å; V359-L362 VanDerWaalsContact O-N 3.1Å; V359-V363 HydrophobicContact CG1-CG2 4.28Å; V359-V363 WeakPolarHBondContact O-CG2 3.42Å; V359-V363 PolarHBondContact O-N 3.43Å |
| 360 | K | 93.1 | Very high | 92 | Very high | 16 Ų | 16 | 50.9 Ų | 50.9 | 7% | 0.07 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -51.1 | -52.9 | 174.8 | -175.2 | -163.9 | 173.8 | -160.8 | 0 | 110.5 | E26 E29 M333 S335 A356 I357 L362 V363 N364 | E26-K360 WeakPolarHBondContact OE1-CE 3.36Å; E26-K360 IonicContact OE1-NZ 3.77Å; E26-K360 PolarHBondContact OE1-NZ 3.42Å; E26-K360 IonicContact OE2-NZ 3.4Å; E26-K360 PolarHBondContact OE2-NZ 3.35Å; E29-K360 IonicContact OE1-NZ 4Å; E29-K360 PolarHBondContact OE1-NZ 3.28Å; M333-K360 HydrophobicContact SD-CB 4.31Å; S335-K360 PolarHBondContact OG-NZ 3.07Å; A356-K360 PolarHBondContact O-N 3.04Å; I357-K360 WeakPolarHBondContact O-CB 3.49Å; I357-K360 PolarHBondContact O-N 2.99Å; K360-L362 PolarHBondContact O-N 2.69Å; K360-V363 PolarHBondContact O-N 2.89Å; K360-N364 PolarHBondContact O-N 2.91Å |
| 361 | H | 93 | Very high | 91.7 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.6 | -36.5 | 179.4 | -64.2 | -63.5 | 0 | 0 | 0 | 112.9 | I357 V358 V359 N364 L365 Y380 E384 F385 | I357-H361 WeakPolarHBondContact CG2-NE2 3.49Å; I357-H361 PolarHBondContact O-CD2 2.84Å; I357-H361 PolarHBondContact O-N 2.93Å; V358-H361 PolarHBondContact O-N 2.9Å; V359-H361 VanDerWaalsContact C-N 3.32Å; V359-H361 PolarHBondContact O-N 3.5Å; H361-N364 PolarHBondContact O-N 2.86Å; H361-L365 WeakPolarHBondContact O-CB 3.29Å; H361-L365 VanDerWaalsContact O-CG 3.23Å; H361-L365 WeakPolarHBondContact O-CG 3.37Å; H361-L365 PolarHBondContact O-N 3.48Å; H361-Y380 AromaticContact ND1-CZ 3.82Å; H361-Y380 PolarHBondContact ND1-OH 3.46Å; H361-E384 IonicContact CE1-OE2 3.64Å; H361-E384 PolarHBondContact CE1-OE2 2.66Å; H361-E384 VanDerWaalsContact CE1-OE2 3.26Å; H361-E384 IonicContact ND1-OE2 3.26Å; H361-F385 HydrophobicContact CB-CE1 4.47Å; H361-F385 HydrophobicContact CB-CE2 4.48Å; H361-F385 HydrophobicContact CB-CZ 3.68Å; H361-F385 AromaticContact CG-CZ 3.78Å |
| 362 | L | 91.9 | Very high | 91.1 | Very high | 95 Ų | 95 | 56.9 Ų | 56.9 | 50% | 0.497 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 174.8 | -73.6 | 172.7 | 0 | 0 | 0 | 111.8 | V358 V359 K360 L365 L366 | V358-L362 HydrophobicContact CG1-CD1 4.11Å; V358-L362 HydrophobicContact CG1-CG 4.48Å; V358-L362 WeakPolarHBondContact O-CG 3.3Å; V358-L362 PolarHBondContact O-N 2.92Å; V359-L362 PolarHBondContact O-N 3.36Å; V359-L362 VanDerWaalsContact O-N 3.1Å; K360-L362 PolarHBondContact O-N 2.69Å; L362-L365 PolarHBondContact O-N 2.91Å; L362-L366 VanDerWaalsContact O-CG 3.32Å; L362-L366 WeakPolarHBondContact O-CG 3.35Å; L362-L366 PolarHBondContact O-N 3.47Å |
| 363 | V | 90.8 | Very high | 90.7 | Very high | 55 Ų | 55 | 55.2 Ų | 55.2 | 33% | 0.333 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 176.2 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | M333 V359 K360 L365 L366 Y367 | M333-V363 HydrophobicContact CE-CB 3.81Å; M333-V363 HydrophobicContact CE-CG1 3.81Å; M333-V363 HydrophobicContact CE-CG2 3.79Å; M333-V363 HydrophobicContact SD-CB 4.5Å; M333-V363 HydrophobicContact SD-CG2 4.09Å; V359-V363 HydrophobicContact CG1-CG2 4.28Å; V359-V363 WeakPolarHBondContact O-CG2 3.42Å; V359-V363 PolarHBondContact O-N 3.43Å; K360-V363 PolarHBondContact O-N 2.89Å; V363-L365 VanDerWaalsContact C-N 3.31Å; V363-L365 PolarHBondContact O-N 3.33Å; V363-L366 WeakPolarHBondContact O-CB 3.42Å; V363-L366 PolarHBondContact O-N 3.13Å; V363-L366 VanDerWaalsContact O-N 3.15Å; V363-Y367 PolarHBondContact O-N 3.24Å |
| 364 | N | 91.8 | Very high | 90.3 | Very high | 16 Ų | 16 | 57.1 Ų | 57.1 | 9% | 0.086 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 174.5 | -72.5 | -14.4 | 0 | 0 | 0 | 112 | E26 K360 H361 Y367 F368 Y380 | E26-N364 PolarHBondContact OE1-ND2 2.93Å; K360-N364 PolarHBondContact O-N 2.91Å; H361-N364 PolarHBondContact O-N 2.86Å; N364-Y367 WeakPolarHBondContact O-CB 3.48Å; N364-Y367 PolarHBondContact O-N 2.85Å; N364-F368 WeakPolarHBondContact O-CD2 3.27Å; N364-F368 WeakPolarHBondContact O-CE2 3.34Å; N364-F368 PolarHBondContact O-N 2.76Å; N364-Y380 HydrophobicContact CB-CE1 3.9Å; N364-Y380 HydrophobicContact CB-CE2 4.14Å; N364-Y380 WeakPolarHBondContact CB-OH 3.46Å; N364-Y380 PolarHBondContact ND2-OH 3.35Å |
| 365 | L | 91.8 | Very high | 90.1 | Very high | 26 Ų | 26 | 57 Ų | 57 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64 | -41.9 | 172.9 | -70.2 | 170.1 | 0 | 0 | 0 | 112.2 | H361 L362 V363 Y367 F368 F369 M377 Y380 M381 | H361-L365 WeakPolarHBondContact O-CB 3.29Å; H361-L365 VanDerWaalsContact O-CG 3.23Å; H361-L365 WeakPolarHBondContact O-CG 3.37Å; H361-L365 PolarHBondContact O-N 3.48Å; L362-L365 PolarHBondContact O-N 2.91Å; V363-L365 VanDerWaalsContact C-N 3.31Å; V363-L365 PolarHBondContact O-N 3.33Å; L365-Y367 VanDerWaalsContact C-N 3.28Å; L365-Y367 PolarHBondContact O-N 2.83Å; L365-F368 PolarHBondContact O-N 3.13Å; L365-F368 VanDerWaalsContact O-N 3.13Å; L365-F369 VanDerWaalsContact O-CD2 3.29Å; L365-F369 WeakPolarHBondContact O-CD2 3.5Å; L365-F369 PolarHBondContact O-N 3.29Å; L365-M377 HydrophobicContact CD2-CG 3.66Å; L365-Y380 HydrophobicContact CD2-CD1 3.8Å; L365-Y380 HydrophobicContact CD2-CE1 4.35Å; L365-Y380 HydrophobicContact CG-CD1 4.29Å; L365-Y380 HydrophobicContact CG-CE1 4.35Å; L365-M381 HydrophobicContact CD2-CG 3.8Å; L365-M381 HydrophobicContact CD2-SD 4.42Å |
| 366 | L | 90.4 | Very high | 89.9 | Confident | 106 Ų | 106 | 52.7 Ų | 52.7 | 56% | 0.555 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.2 | -33.7 | 174.3 | -70.4 | 172.5 | 0 | 0 | 0 | 112.5 | L362 V363 F369 T370 | L362-L366 VanDerWaalsContact O-CG 3.32Å; L362-L366 WeakPolarHBondContact O-CG 3.35Å; L362-L366 PolarHBondContact O-N 3.47Å; V363-L366 WeakPolarHBondContact O-CB 3.42Å; V363-L366 PolarHBondContact O-N 3.13Å; V363-L366 VanDerWaalsContact O-N 3.15Å; L366-F369 WeakPolarHBondContact O-CB 3.2Å; L366-F369 PolarHBondContact O-N 3.27Å; L366-T370 PolarHBondContact O-N 2.83Å; L366-T370 PolarHBondContact O-OG1 2.98Å |
| 367 | Y | 90.3 | Very high | 89.7 | Confident | 50 Ų | 50 | 54.6 Ų | 54.6 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 171.5 | 173.9 | -102.3 | 0 | 0 | 0 | 111.3 | M23 E303 V363 N364 L365 F369 T370 I371 | M23-Y367 HydrophobicContact CE-CD1 4.26Å; M23-Y367 HydrophobicContact CE-CE1 4.39Å; M23-Y367 HydrophobicContact SD-CD1 4.4Å; M23-Y367 HydrophobicContact SD-CE1 4Å; E303-Y367 WeakPolarHBondContact OE1-CD2 3.31Å; E303-Y367 WeakPolarHBondContact OE1-CE2 3.36Å; V363-Y367 PolarHBondContact O-N 3.24Å; N364-Y367 WeakPolarHBondContact O-CB 3.48Å; N364-Y367 PolarHBondContact O-N 2.85Å; L365-Y367 VanDerWaalsContact C-N 3.28Å; L365-Y367 PolarHBondContact O-N 2.83Å; Y367-F369 VanDerWaalsContact C-N 3.33Å; Y367-F369 PolarHBondContact O-N 2.91Å; Y367-T370 WeakPolarHBondContact O-CA 3.36Å; Y367-T370 VanDerWaalsContact O-CB 3.29Å; Y367-T370 WeakPolarHBondContact O-CB 3.33Å; Y367-T370 PolarHBondContact O-N 3.49Å; Y367-I371 HydrophobicContact CE1-CD1 4.04Å; Y367-I371 HydrophobicContact CE1-CG2 4.41Å; Y367-I371 HydrophobicContact CE2-CG2 4.12Å; Y367-I371 PolarHBondContact O-N 2.95Å |
| 368 | F | 90.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.2 | -35.4 | 176.2 | -66.1 | -69.1 | 0 | 0 | 0 | 113.7 | Y42 N364 L365 T370 I371 R372 S373 M377 Y380 | Y42-F368 HydrophobicContact CD2-CE1 4.23Å; Y42-F368 HydrophobicContact CE1-CE1 4.48Å; Y42-F368 AromaticContact CE2-CE1 3.58Å; Y42-F368 HydrophobicContact CE2-CE1 3.58Å; Y42-F368 AromaticContact CE2-CZ 3.79Å; Y42-F368 HydrophobicContact CE2-CZ 3.79Å; Y42-F368 AromaticContact CZ-CE1 3.77Å; Y42-F368 AromaticContact CZ-CZ 3.67Å; Y42-F368 WeakPolarHBondContact OH-CZ 3.26Å; N364-F368 WeakPolarHBondContact O-CD2 3.27Å; N364-F368 WeakPolarHBondContact O-CE2 3.34Å; N364-F368 PolarHBondContact O-N 2.76Å; L365-F368 PolarHBondContact O-N 3.13Å; L365-F368 VanDerWaalsContact O-N 3.13Å; F368-T370 VanDerWaalsContact C-N 3.33Å; F368-I371 HydrophobicContact CD1-CD1 3.91Å; F368-I371 HydrophobicContact CD1-CG1 4.46Å; F368-I371 HydrophobicContact CE1-CD1 4.4Å; F368-I371 WeakPolarHBondContact O-CG1 3.41Å; F368-R372 PolarHBondContact O-N 3.38Å; F368-S373 PolarHBondContact O-N 3.29Å; F368-S373 VanDerWaalsContact O-N 3.07Å; F368-M377 HydrophobicContact CB-CB 3.7Å; F368-M377 HydrophobicContact CB-CG 4.13Å; F368-M377 HydrophobicContact CG-CB 4.15Å; F368-Y380 HydrophobicContact CD2-CG 4.28Å; F368-Y380 HydrophobicContact CE2-CD1 4.03Å; F368-Y380 AromaticContact CE2-CD2 3.66Å; F368-Y380 HydrophobicContact CE2-CD2 3.66Å; F368-Y380 HydrophobicContact CE2-CE2 4.4Å; F368-Y380 AromaticContact CE2-CG 3.45Å; F368-Y380 HydrophobicContact CE2-CG 3.45Å; F368-Y380 VanDerWaalsContact CE2-CG 3.45Å; F368-Y380 HydrophobicContact CZ-CD2 4Å; F368-Y380 HydrophobicContact CZ-CG 4.09Å |
| 369 | F | 87 | Confident | 89.1 | Confident | 129 Ų | 129 | 59.9 Ų | 59.9 | 57% | 0.566 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.4 | -41.8 | 169.9 | -79.7 | -71.7 | 0 | 0 | 0 | 111.6 | L365 L366 Y367 R372 M377 | L365-F369 VanDerWaalsContact O-CD2 3.29Å; L365-F369 WeakPolarHBondContact O-CD2 3.5Å; L365-F369 PolarHBondContact O-N 3.29Å; L366-F369 WeakPolarHBondContact O-CB 3.2Å; L366-F369 PolarHBondContact O-N 3.27Å; Y367-F369 VanDerWaalsContact C-N 3.33Å; Y367-F369 PolarHBondContact O-N 2.91Å; F369-R372 WeakPolarHBondContact O-CA 3.5Å; F369-R372 PolarHBondContact O-N 3.26Å; F369-M377 HydrophobicContact CD2-SD 4.02Å; F369-M377 HydrophobicContact CE1-SD 4.09Å; F369-M377 HydrophobicContact CE2-SD 3.46Å; F369-M377 WeakPolarHBondContact CE2-SD 3.48Å; F369-M377 HydrophobicContact CZ-CE 4.13Å; F369-M377 HydrophobicContact CZ-SD 3.5Å; F369-M377 VanDerWaalsContact CZ-SD 3.5Å |
| 370 | T | 86.6 | Confident | 89 | Confident | 97 Ų | 97 | 58.9 Ų | 58.9 | 60% | 0.595 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.7 | -44.7 | 179.2 | -59 | 0 | 0 | 0 | 0 | 111.4 | K3 L366 Y367 F368 R372 | K3-T370 PolarHBondContact NZ-O 3.29Å; L366-T370 PolarHBondContact O-N 2.83Å; L366-T370 PolarHBondContact O-OG1 2.98Å; Y367-T370 WeakPolarHBondContact O-CA 3.36Å; Y367-T370 VanDerWaalsContact O-CB 3.29Å; Y367-T370 WeakPolarHBondContact O-CB 3.33Å; Y367-T370 PolarHBondContact O-N 3.49Å; F368-T370 VanDerWaalsContact C-N 3.33Å; T370-R372 VanDerWaalsContact C-N 3.26Å; T370-R372 PolarHBondContact O-N 3.38Å |
| 371 | I | 86.9 | Confident | 88.7 | Confident | 39 Ų | 39 | 61.2 Ų | 61.2 | 20% | 0.2 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -76.4 | -11.3 | 174.5 | 64.1 | 171 | 0 | 0 | 0 | 113.4 | K3 L47 Y367 F368 | K3-I371 PolarHBondContact NZ-O 3.01Å; L47-I371 HydrophobicContact CD2-CD1 4.08Å; Y367-I371 HydrophobicContact CE1-CD1 4.04Å; Y367-I371 HydrophobicContact CE1-CG2 4.41Å; Y367-I371 HydrophobicContact CE2-CG2 4.12Å; Y367-I371 PolarHBondContact O-N 2.95Å; F368-I371 HydrophobicContact CD1-CD1 3.91Å; F368-I371 HydrophobicContact CD1-CG1 4.46Å; F368-I371 HydrophobicContact CE1-CD1 4.4Å; F368-I371 WeakPolarHBondContact O-CG1 3.41Å |
| 372 | R | 82.7 | Confident | 88.2 | Confident | 207 Ų | 207 | 62.6 Ų | 62.6 | 78% | 0.781 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 38.8 | -179.4 | -54 | -177.2 | 86.8 | 149.2 | 5.5 | 113.9 | F368 F369 T370 | F368-R372 PolarHBondContact O-N 3.38Å; F369-R372 WeakPolarHBondContact O-CA 3.5Å; F369-R372 PolarHBondContact O-N 3.26Å; T370-R372 VanDerWaalsContact C-N 3.26Å; T370-R372 PolarHBondContact O-N 3.38Å |
| 373 | S | 85.7 | Confident | 87.9 | Confident | 17 Ų | 17 | 59.6 Ų | 59.6 | 12% | 0.119 | 29% | 0.292 | C | S | . | . | trans | -110.5 | 92.1 | 175.1 | -173.4 | 0 | 0 | 0 | 0 | 111.8 | F368 Y375 Y376 M377 | F368-S373 PolarHBondContact O-N 3.29Å; F368-S373 VanDerWaalsContact O-N 3.07Å; S373-Y375 PolarHBondContact O-N 2.82Å; S373-Y376 PolarHBondContact O-N 2.87Å; S373-Y376 WeakPolarHBondContact OG-CD2 3.31Å; S373-Y376 PolarHBondContact OG-N 3.03Å; S373-M377 WeakPolarHBondContact O-CB 3.49Å; S373-M377 PolarHBondContact O-N 3.18Å | ||
| 374 | G | 85.3 | Confident | 87.8 | Confident | 49 Ų | 49 | 57.3 Ų | 57.3 | 51% | 0.505 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.1 | -28.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | F378 | G374-F378 WeakPolarHBondContact O-CB 3.45Å; G374-F378 PolarHBondContact O-N 3.44Å |
| 375 | Y | 87.6 | Confident | 87.4 | Confident | 102 Ų | 102 | 58.3 Ų | 58.3 | 40% | 0.4 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.3 | -50.8 | 175.7 | 175.1 | -93.8 | 0 | 0 | 0 | 111.9 | R46 S373 M377 F378 Q379 | R46-Y375 PolarHBondContact NH1-OH 3.17Å; S373-Y375 PolarHBondContact O-N 2.82Å; Y375-M377 VanDerWaalsContact C-N 3.32Å; Y375-M377 PolarHBondContact O-N 3.49Å; Y375-F378 PolarHBondContact O-N 3.21Å; Y375-Q379 HydrophobicContact CD1-CG 4.22Å; Y375-Q379 HydrophobicContact CE1-CG 3.64Å; Y375-Q379 HydrophobicContact CE2-CG 4.18Å; Y375-Q379 PolarHBondContact O-N 3.1Å; Y375-Q379 PolarHBondContact OH-NE2 3.29Å |
| 376 | Y | 90.3 | Very high | 86.7 | Confident | 12 Ų | 12 | 59.9 Ų | 59.9 | 5% | 0.047 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.2 | -31 | 179.3 | -68.5 | -54 | 0 | 0 | 0 | 111.9 | Y42 D43 R46 L47 S373 F378 Q379 Y380 | Y42-Y376 AromaticContact CD1-CD1 3.48Å; Y42-Y376 HydrophobicContact CD1-CD1 3.48Å; Y42-Y376 VanDerWaalsContact CD1-CD1 3.48Å; Y42-Y376 AromaticContact CD1-CE1 3.77Å; Y42-Y376 HydrophobicContact CD1-CE1 3.77Å; Y42-Y376 AromaticContact CD1-CG 3.96Å; Y42-Y376 HydrophobicContact CD1-CG 3.96Å; Y42-Y376 HydrophobicContact CE1-CD1 4.19Å; Y42-Y376 AromaticContact CG-CD1 3.99Å; Y42-Y376 HydrophobicContact CG-CD1 3.99Å; Y42-Y376 HydrophobicContact CG-CD2 4.28Å; Y42-Y376 HydrophobicContact CG-CE1 4.15Å; Y42-Y376 HydrophobicContact CG-CE2 4.46Å; Y42-Y376 HydrophobicContact CG-CG 4.09Å; D43-Y376 WeakPolarHBondContact CA-OH 3.35Å; D43-Y376 WeakPolarHBondContact CB-OH 3.37Å; D43-Y376 PolarHBondContact N-OH 3.27Å; D43-Y376 PolarHBondContact O-OH 3.49Å; R46-Y376 HydrophobicContact CG-CE2 4.34Å; L47-Y376 HydrophobicContact CD1-CD2 4.08Å; L47-Y376 HydrophobicContact CD1-CE2 3.56Å; L47-Y376 HydrophobicContact CG-CD2 4.23Å; L47-Y376 HydrophobicContact CG-CE2 3.82Å; S373-Y376 PolarHBondContact O-N 2.87Å; S373-Y376 WeakPolarHBondContact OG-CD2 3.31Å; S373-Y376 PolarHBondContact OG-N 3.03Å; Y376-F378 VanDerWaalsContact C-N 3.33Å; Y376-F378 PolarHBondContact O-N 3.14Å; Y376-Q379 PolarHBondContact O-N 3.16Å; Y376-Y380 VanDerWaalsContact O-CB 3.23Å; Y376-Y380 WeakPolarHBondContact O-CB 3.47Å; Y376-Y380 PolarHBondContact O-N 2.97Å |
| 377 | M | 89.3 | Confident | 86.1 | Confident | 42 Ų | 42 | 58.2 Ų | 58.2 | 21% | 0.207 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.5 | -46.5 | 168.8 | -170.4 | -180 | 71.3 | 0 | 0 | 111.7 | L365 F368 F369 S373 Y375 M381 | L365-M377 HydrophobicContact CD2-CG 3.66Å; F368-M377 HydrophobicContact CB-CB 3.7Å; F368-M377 HydrophobicContact CB-CG 4.13Å; F368-M377 HydrophobicContact CG-CB 4.15Å; F369-M377 HydrophobicContact CD2-SD 4.02Å; F369-M377 HydrophobicContact CE1-SD 4.09Å; F369-M377 HydrophobicContact CE2-SD 3.46Å; F369-M377 WeakPolarHBondContact CE2-SD 3.48Å; F369-M377 HydrophobicContact CZ-CE 4.13Å; F369-M377 HydrophobicContact CZ-SD 3.5Å; F369-M377 VanDerWaalsContact CZ-SD 3.5Å; S373-M377 WeakPolarHBondContact O-CB 3.49Å; S373-M377 PolarHBondContact O-N 3.18Å; Y375-M377 VanDerWaalsContact C-N 3.32Å; Y375-M377 PolarHBondContact O-N 3.49Å; M377-M381 WeakPolarHBondContact O-CG 3.26Å; M377-M381 PolarHBondContact O-N 2.93Å |
| 378 | F | 85.9 | Confident | 85.6 | Confident | 113 Ų | 113 | 56.1 Ų | 56.1 | 50% | 0.496 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.5 | -42.5 | 177.6 | -178.6 | -97 | 0 | 0 | 0 | 112.2 | G374 Y375 Y376 M381 M382 | G374-F378 WeakPolarHBondContact O-CB 3.45Å; G374-F378 PolarHBondContact O-N 3.44Å; Y375-F378 PolarHBondContact O-N 3.21Å; Y376-F378 VanDerWaalsContact C-N 3.33Å; Y376-F378 PolarHBondContact O-N 3.14Å; F378-M381 WeakPolarHBondContact O-CB 3.26Å; F378-M381 PolarHBondContact O-N 3.03Å; F378-M382 HydrophobicContact CD1-CG 4.16Å; F378-M382 HydrophobicContact CD2-CE 4.27Å; F378-M382 HydrophobicContact CE1-CE 3.91Å; F378-M382 HydrophobicContact CE1-CG 3.84Å; F378-M382 HydrophobicContact CE2-CE 3.43Å; F378-M382 VanDerWaalsContact CE2-CE 3.43Å; F378-M382 HydrophobicContact CZ-CE 3.23Å; F378-M382 HydrophobicContact CZ-CG 4.18Å; F378-M382 HydrophobicContact CZ-SD 4.41Å; F378-M382 WeakPolarHBondContact O-CG 3.5Å; F378-M382 PolarHBondContact O-N 3.01Å |
| 379 | Q | 87.5 | Confident | 85 | Confident | 51 Ų | 51 | 60.8 Ų | 60.8 | 24% | 0.238 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 175.8 | -72.7 | -67.9 | 21.4 | 0 | 0 | 111.9 | Y375 Y376 M381 M382 H383 | Y375-Q379 HydrophobicContact CD1-CG 4.22Å; Y375-Q379 HydrophobicContact CE1-CG 3.64Å; Y375-Q379 HydrophobicContact CE2-CG 4.18Å; Y375-Q379 PolarHBondContact O-N 3.1Å; Y375-Q379 PolarHBondContact OH-NE2 3.29Å; Y376-Q379 PolarHBondContact O-N 3.16Å; Q379-M381 VanDerWaalsContact C-N 3.28Å; Q379-M381 PolarHBondContact O-N 2.94Å; Q379-M382 CarbonylContact O-C 3.58Å; Q379-M382 WeakPolarHBondContact O-CA 3.43Å; Q379-M382 WeakPolarHBondContact O-CB 3.31Å; Q379-M382 PolarHBondContact O-N 3.42Å; Q379-H383 PolarHBondContact O-CD2 3.45Å; Q379-H383 PolarHBondContact O-N 3.19Å |
| 380 | Y | 90.7 | Very high | 84.9 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 2% | 0.02 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -54.4 | -46.8 | 172.9 | -178.3 | -97.1 | 0 | 0 | 0 | 110.9 | H361 N364 L365 F368 Y376 M382 H383 E384 | H361-Y380 AromaticContact ND1-CZ 3.82Å; H361-Y380 PolarHBondContact ND1-OH 3.46Å; N364-Y380 HydrophobicContact CB-CE1 3.9Å; N364-Y380 HydrophobicContact CB-CE2 4.14Å; N364-Y380 WeakPolarHBondContact CB-OH 3.46Å; N364-Y380 PolarHBondContact ND2-OH 3.35Å; L365-Y380 HydrophobicContact CD2-CD1 3.8Å; L365-Y380 HydrophobicContact CD2-CE1 4.35Å; L365-Y380 HydrophobicContact CG-CD1 4.29Å; L365-Y380 HydrophobicContact CG-CE1 4.35Å; F368-Y380 HydrophobicContact CD2-CG 4.28Å; F368-Y380 HydrophobicContact CE2-CD1 4.03Å; F368-Y380 AromaticContact CE2-CD2 3.66Å; F368-Y380 HydrophobicContact CE2-CD2 3.66Å; F368-Y380 HydrophobicContact CE2-CE2 4.4Å; F368-Y380 AromaticContact CE2-CG 3.45Å; F368-Y380 HydrophobicContact CE2-CG 3.45Å; F368-Y380 VanDerWaalsContact CE2-CG 3.45Å; F368-Y380 HydrophobicContact CZ-CD2 4Å; F368-Y380 HydrophobicContact CZ-CG 4.09Å; Y376-Y380 VanDerWaalsContact O-CB 3.23Å; Y376-Y380 WeakPolarHBondContact O-CB 3.47Å; Y376-Y380 PolarHBondContact O-N 2.97Å; Y380-M382 VanDerWaalsContact C-N 3.29Å; Y380-M382 PolarHBondContact O-N 3.39Å; Y380-H383 PolarHBondContact O-N 3.46Å; Y380-E384 HydrophobicContact CD1-CG 4.2Å; Y380-E384 HydrophobicContact CD2-CG 3.94Å; Y380-E384 HydrophobicContact CE1-CB 4.43Å; Y380-E384 HydrophobicContact CE1-CG 3.83Å; Y380-E384 HydrophobicContact CE2-CG 3.53Å; Y380-E384 HydrophobicContact CG-CG 4.24Å; Y380-E384 VanDerWaalsContact CZ-CG 3.45Å; Y380-E384 VanDerWaalsContact O-CB 3.32Å; Y380-E384 WeakPolarHBondContact O-CB 3.4Å; Y380-E384 WeakPolarHBondContact O-CG 3.43Å; Y380-E384 PolarHBondContact O-N 3.48Å |
| 381 | M | 86.7 | Confident | 84.7 | Confident | 65 Ų | 65 | 57 Ų | 57 | 32% | 0.32 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 176.1 | -71 | 179.3 | 66.5 | 0 | 0 | 112.7 | L365 M377 F378 Q379 F385 F386 | L365-M381 HydrophobicContact CD2-CG 3.8Å; L365-M381 HydrophobicContact CD2-SD 4.42Å; M377-M381 WeakPolarHBondContact O-CG 3.26Å; M377-M381 PolarHBondContact O-N 2.93Å; F378-M381 WeakPolarHBondContact O-CB 3.26Å; F378-M381 PolarHBondContact O-N 3.03Å; Q379-M381 VanDerWaalsContact C-N 3.28Å; Q379-M381 PolarHBondContact O-N 2.94Å; M381-F385 HydrophobicContact CB-CD2 4.24Å; M381-F385 HydrophobicContact CG-CD2 4.4Å; M381-F385 HydrophobicContact CG-CE2 4.42Å; M381-F385 WeakPolarHBondContact O-CB 3.49Å; M381-F385 WeakPolarHBondContact O-CD2 3.33Å; M381-F385 PolarHBondContact O-N 3.15Å; M381-F386 HydrophobicContact CE-CE2 4.38Å; M381-F386 WeakPolarHBondContact O-CD2 3.38Å; M381-F386 PolarHBondContact O-N 2.99Å |
| 382 | M | 83.3 | Confident | 84.8 | Confident | 37 Ų | 37 | 55.4 Ų | 55.4 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -64.7 | -46.4 | 177.5 | -71.1 | -60.2 | 155.4 | 0 | 0 | 111.6 | F378 Q379 Y380 F386 H387 | F378-M382 HydrophobicContact CD1-CG 4.16Å; F378-M382 HydrophobicContact CD2-CE 4.27Å; F378-M382 HydrophobicContact CE1-CE 3.91Å; F378-M382 HydrophobicContact CE1-CG 3.84Å; F378-M382 HydrophobicContact CE2-CE 3.43Å; F378-M382 VanDerWaalsContact CE2-CE 3.43Å; F378-M382 HydrophobicContact CZ-CE 3.23Å; F378-M382 HydrophobicContact CZ-CG 4.18Å; F378-M382 HydrophobicContact CZ-SD 4.41Å; F378-M382 WeakPolarHBondContact O-CG 3.5Å; F378-M382 PolarHBondContact O-N 3.01Å; Q379-M382 CarbonylContact O-C 3.58Å; Q379-M382 WeakPolarHBondContact O-CA 3.43Å; Q379-M382 WeakPolarHBondContact O-CB 3.31Å; Q379-M382 PolarHBondContact O-N 3.42Å; Y380-M382 VanDerWaalsContact C-N 3.29Å; Y380-M382 PolarHBondContact O-N 3.39Å; M382-F386 HydrophobicContact CE-CD2 4.01Å; M382-F386 HydrophobicContact CE-CE2 4.42Å; M382-F386 CarbonylContact O-C 3.5Å; M382-F386 PolarHBondContact O-N 3.18Å; M382-F386 VanDerWaalsContact O-N 3.14Å; M382-F386 HydrophobicContact SD-CB 3.88Å; M382-F386 HydrophobicContact SD-CD2 3.8Å; M382-F386 HydrophobicContact SD-CG 4.12Å; M382-H387 WeakPolarHBondContact O-CA 3.47Å; M382-H387 WeakPolarHBondContact O-CB 3.44Å; M382-H387 PolarHBondContact O-N 3.29Å |
| 383 | H | 85.8 | Confident | 84.9 | Confident | 33 Ų | 33 | 45.7 Ų | 45.7 | 15% | 0.153 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -72.9 | -36.5 | -177.7 | -64 | -62.5 | 0 | 0 | 0 | 113.3 | A39 Q379 Y380 | A39-H383 HydrophobicContact CB-CB 3.74Å; Q379-H383 PolarHBondContact O-CD2 3.45Å; Q379-H383 PolarHBondContact O-N 3.19Å; Y380-H383 PolarHBondContact O-N 3.46Å |
| 384 | E | 87.7 | Confident | 84.9 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.028 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -85.2 | -38 | -176.6 | -69.1 | -58.3 | 145.2 | 0 | 0 | 114.1 | H361 Y380 N393 | H361-E384 IonicContact CE1-OE2 3.64Å; H361-E384 PolarHBondContact CE1-OE2 2.66Å; H361-E384 VanDerWaalsContact CE1-OE2 3.26Å; H361-E384 IonicContact ND1-OE2 3.26Å; Y380-E384 HydrophobicContact CD1-CG 4.2Å; Y380-E384 HydrophobicContact CD2-CG 3.94Å; Y380-E384 HydrophobicContact CE1-CB 4.43Å; Y380-E384 HydrophobicContact CE1-CG 3.83Å; Y380-E384 HydrophobicContact CE2-CG 3.53Å; Y380-E384 HydrophobicContact CG-CG 4.24Å; Y380-E384 VanDerWaalsContact CZ-CG 3.45Å; Y380-E384 VanDerWaalsContact O-CB 3.32Å; Y380-E384 WeakPolarHBondContact O-CB 3.4Å; Y380-E384 WeakPolarHBondContact O-CG 3.43Å; Y380-E384 PolarHBondContact O-N 3.48Å; E384-N393 VanDerWaalsContact O-CB 3.25Å; E384-N393 WeakPolarHBondContact O-CB 3.49Å |
| 385 | F | 83.2 | Confident | 84.6 | Confident | 38 Ų | 38 | 45 Ų | 45 | 17% | 0.167 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -105.2 | -43.6 | -174.5 | -56.5 | -82.5 | 0 | 0 | 0 | 112.4 | H361 M381 N393 V394 S399 | H361-F385 HydrophobicContact CB-CE1 4.47Å; H361-F385 HydrophobicContact CB-CE2 4.48Å; H361-F385 HydrophobicContact CB-CZ 3.68Å; H361-F385 AromaticContact CG-CZ 3.78Å; M381-F385 HydrophobicContact CB-CD2 4.24Å; M381-F385 HydrophobicContact CG-CD2 4.4Å; M381-F385 HydrophobicContact CG-CE2 4.42Å; M381-F385 WeakPolarHBondContact O-CB 3.49Å; M381-F385 WeakPolarHBondContact O-CD2 3.33Å; M381-F385 PolarHBondContact O-N 3.15Å; F385-N393 PolarHBondContact O-ND2 3.25Å; F385-V394 HydrophobicContact CD1-CG1 3.69Å; F385-V394 HydrophobicContact CE1-CG1 3.6Å; F385-S399 CarbonylContact O-C 3.6Å; F385-S399 VanDerWaalsContact O-CB 3.29Å; F385-S399 WeakPolarHBondContact O-CB 3.13Å; F385-S399 PolarHBondContact O-OG 3.13Å |
| 386 | F | 76.8 | Confident | 84.2 | Confident | 58 Ų | 58 | 47.8 Ų | 47.8 | 25% | 0.254 | 22% | 0.221 | S | C | . | . | I | π-helix | trans | -103.5 | -30.6 | -164.1 | -62.1 | -73.2 | 0 | 0 | 0 | 115.7 | M381 M382 S399 S400 L406 | M381-F386 HydrophobicContact CE-CE2 4.38Å; M381-F386 WeakPolarHBondContact O-CD2 3.38Å; M381-F386 PolarHBondContact O-N 2.99Å; M382-F386 HydrophobicContact CE-CD2 4.01Å; M382-F386 HydrophobicContact CE-CE2 4.42Å; M382-F386 CarbonylContact O-C 3.5Å; M382-F386 PolarHBondContact O-N 3.18Å; M382-F386 VanDerWaalsContact O-N 3.14Å; M382-F386 HydrophobicContact SD-CB 3.88Å; M382-F386 HydrophobicContact SD-CD2 3.8Å; M382-F386 HydrophobicContact SD-CG 4.12Å; F386-S399 WeakPolarHBondContact CA-O 3.29Å; F386-S400 CarbonylContact O-C 3.41Å; F386-S400 WeakPolarHBondContact O-CA 3.46Å; F386-L406 HydrophobicContact CD1-CD1 4.2Å; F386-L406 HydrophobicContact CE1-CD1 3.93Å |
| 387 | H | 78.3 | Confident | 83.4 | Confident | 72 Ų | 72 | 47.2 Ų | 47.2 | 33% | 0.333 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -119.9 | 41.9 | -173 | -64.4 | 160.9 | 0 | 0 | 0 | 111.9 | M382 Y402 | M382-H387 WeakPolarHBondContact O-CA 3.47Å; M382-H387 WeakPolarHBondContact O-CB 3.44Å; M382-H387 PolarHBondContact O-N 3.29Å; H387-Y402 HydrophobicContact CB-CE1 4.41Å; H387-Y402 AromaticContact CD2-CD1 3.82Å; H387-Y402 AromaticContact CD2-CE1 3.98Å |
| 388 | I | 79.9 | Confident | 82.5 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | trans | -93.5 | 135.8 | 175.6 | -144 | 139.8 | 0 | 0 | 0 | 111.3 | R34 R392 N393 S400 | R34-I388 HydrophobicContact CG-CD1 3.69Å; R34-I388 HydrophobicContact CG-CG1 3.96Å; I388-R392 WeakPolarHBondContact CD1-O 3.47Å; I388-R392 WeakPolarHBondContact CG1-O 3.47Å; I388-N393 HydrophobicContact CB-CB 4.31Å; I388-N393 HydrophobicContact CD1-CB 4.08Å; I388-N393 HydrophobicContact CG2-CB 3.62Å; I388-S400 WeakPolarHBondContact O-CB 3.26Å | ||
| 389 | K | 78.7 | Confident | 81.8 | Confident | 98 Ų | 98 | 42.4 Ų | 42.4 | 43% | 0.426 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -77.1 | 154.9 | 173.4 | -64.1 | 173.5 | -176.1 | 168.9 | 0 | 110.1 | E36 D391 R392 | E36-K389 IonicContact OE1-NZ 3.81Å; E36-K389 PolarHBondContact OE1-NZ 3.25Å; K389-D391 VanDerWaalsContact C-N 3.26Å; K389-D391 PolarHBondContact O-N 3.31Å; K389-D391 VanDerWaalsContact O-N 3.1Å; K389-R392 PolarHBondContact O-N 3.39Å |
| 390 | N | 83.3 | Confident | 80.6 | Confident | 80 Ų | 80 | 40.8 Ų | 40.8 | 43% | 0.428 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | 57.8 | 27.3 | 168.2 | -58.7 | -48.4 | 0 | 0 | 0 | 116.5 | V163 R392 | V163-N390 VanDerWaalsContact CG1-ND2 3.27Å; V163-N390 WeakPolarHBondContact CG1-ND2 3.45Å; V163-N390 HydrophobicContact CG2-CB 3.62Å; N390-R392 HydrophobicContact CB-CG 4.41Å; N390-R392 PolarHBondContact O-N 3.04Å; N390-R392 VanDerWaalsContact O-N 3.13Å |
| 391 | D | 82.7 | Confident | 79.3 | Confident | 68 Ų | 68 | 45.6 Ų | 45.6 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | 56.1 | 27.8 | 178.7 | -57.2 | -38.3 | 0 | 0 | 0 | 114 | K339 K389 N393 G397 S400 R602 | K339-D391 WeakPolarHBondContact CE-O 3.48Å; K339-D391 PolarHBondContact NZ-O 3.02Å; K389-D391 VanDerWaalsContact C-N 3.26Å; K389-D391 PolarHBondContact O-N 3.31Å; K389-D391 VanDerWaalsContact O-N 3.1Å; D391-N393 VanDerWaalsContact C-N 3.26Å; D391-N393 PolarHBondContact O-N 3.48Å; D391-G397 VanDerWaalsContact OD1-CA 3.26Å; D391-G397 WeakPolarHBondContact OD1-CA 3.47Å; D391-S400 PolarHBondContact OD1-OG 2.78Å; D391-R602 VanDerWaalsContact CG-NH2 3.33Å; D391-R602 IonicContact OD1-NH2 2.76Å; D391-R602 PolarHBondContact OD1-NH2 3.24Å; D391-R602 VanDerWaalsContact OD1-NH2 3.1Å; D391-R602 IonicContact OD2-NH2 2.62Å; D391-R602 PolarHBondContact OD2-NH2 2.72Å |
| 392 | R | 89.2 | Confident | 77.9 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 2% | 0.019 | 23% | 0.227 | C | C | . | . | trans | -88.3 | 51.4 | 179 | -69 | 176.2 | 63.6 | -172.1 | 1.4 | 111.9 | G32 R34 E156 E159 S338 I388 K389 N390 | G32-R392 VanDerWaalsContact O-CZ 3.31Å; G32-R392 PolarHBondContact O-NH1 3.14Å; G32-R392 PolarHBondContact O-NH2 2.78Å; R34-R392 WeakPolarHBondContact CD-O 3.39Å; R34-R392 HydrophobicContact CG-CB 4.24Å; E156-R392 PolarHBondContact O-NH2 3.37Å; E156-R392 IonicContact OE2-CZ 3.73Å; E156-R392 IonicContact OE2-NH2 4Å; E156-R392 PolarHBondContact OE2-NH2 3.33Å; E159-R392 HydrophobicContact CB-CG 4.39Å; E159-R392 IonicContact OE2-NE 2.76Å; S338-R392 WeakPolarHBondContact CB-O 3.3Å; S338-R392 WeakPolarHBondContact OG-CA 3.45Å; S338-R392 PolarHBondContact OG-O 3.46Å; I388-R392 WeakPolarHBondContact CD1-O 3.47Å; I388-R392 WeakPolarHBondContact CG1-O 3.47Å; K389-R392 PolarHBondContact O-N 3.39Å; N390-R392 HydrophobicContact CB-CG 4.41Å; N390-R392 PolarHBondContact O-N 3.04Å; N390-R392 VanDerWaalsContact O-N 3.13Å | ||
| 393 | N | 86 | Confident | 76.9 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.011 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -127.7 | 171.8 | 170 | 59.5 | 14.8 | 0 | 0 | 0 | 111.1 | S338 E384 F385 I388 D391 T395 R396 G397 S399 | S338-N393 PolarHBondContact OG-N 2.92Å; E384-N393 VanDerWaalsContact O-CB 3.25Å; E384-N393 WeakPolarHBondContact O-CB 3.49Å; F385-N393 PolarHBondContact O-ND2 3.25Å; I388-N393 HydrophobicContact CB-CB 4.31Å; I388-N393 HydrophobicContact CD1-CB 4.08Å; I388-N393 HydrophobicContact CG2-CB 3.62Å; D391-N393 VanDerWaalsContact C-N 3.26Å; D391-N393 PolarHBondContact O-N 3.48Å; N393-T395 PolarHBondContact ND2-OG1 3.36Å; N393-T395 PolarHBondContact O-N 3.27Å; N393-T395 PolarHBondContact OD1-N 3.45Å; N393-T395 PolarHBondContact OD1-OG1 3.08Å; N393-T395 VanDerWaalsContact OD1-OG1 3.13Å; N393-R396 PolarHBondContact O-N 3.09Å; N393-R396 PolarHBondContact OD1-N 3.01Å; N393-G397 WeakPolarHBondContact OD1-CA 3.48Å; N393-G397 PolarHBondContact OD1-N 3.14Å; N393-S399 PolarHBondContact ND2-OG 3.15Å |
| 394 | V | 84.4 | Confident | 75.8 | Confident | 9 Ų | 9 | 53.3 Ų | 53.3 | 6% | 0.055 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -32 | 176.7 | 69.2 | 0 | 0 | 0 | 0 | 113 | S338 F354 I357 V358 F385 R396 | S338-V394 PolarHBondContact O-N 2.98Å; F354-V394 HydrophobicContact CD2-CG2 3.71Å; F354-V394 HydrophobicContact CE2-CG2 3.4Å; F354-V394 WeakPolarHBondContact CE2-O 3.24Å; F354-V394 HydrophobicContact CZ-CG2 4.2Å; I357-V394 HydrophobicContact CB-CG2 4.22Å; I357-V394 HydrophobicContact CG2-CB 3.88Å; I357-V394 HydrophobicContact CG2-CG2 3.67Å; V358-V394 HydrophobicContact CG2-CG2 4.07Å; F385-V394 HydrophobicContact CD1-CG1 3.69Å; F385-V394 HydrophobicContact CE1-CG1 3.6Å; V394-R396 VanDerWaalsContact C-N 3.29Å; V394-R396 PolarHBondContact O-N 2.58Å |
| 395 | T | 80 | Confident | 75.2 | Confident | 43 Ų | 43 | 53.5 Ų | 53.5 | 26% | 0.264 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 6.6 | 179 | 72.4 | 0 | 0 | 0 | 0 | 113.7 | N393 G397 H398 S399 | N393-T395 PolarHBondContact ND2-OG1 3.36Å; N393-T395 PolarHBondContact O-N 3.27Å; N393-T395 PolarHBondContact OD1-N 3.45Å; N393-T395 PolarHBondContact OD1-OG1 3.08Å; N393-T395 VanDerWaalsContact OD1-OG1 3.13Å; T395-G397 PolarHBondContact O-N 3.1Å; T395-G397 VanDerWaalsContact O-N 3.13Å; T395-H398 PolarHBondContact O-CD2 3.41Å; T395-H398 PolarHBondContact O-N 3.41Å; T395-H398 VanDerWaalsContact O-N 3.15Å; T395-H398 PolarHBondContact OG1-N 3.2Å; T395-S399 PolarHBondContact OG1-N 2.74Å; T395-S399 PolarHBondContact OG1-OG 3.06Å |
| 396 | R | 79.4 | Confident | 75 | Confident | 160 Ų | 160 | 53.8 Ų | 53.8 | 60% | 0.604 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 33.9 | -177.3 | -54.4 | 179.8 | 176.8 | 142.9 | 0.6 | 113 | K339 N393 V394 R602 | K339-R396 HydrophobicContact CD-CG 4.19Å; K339-R396 HydrophobicContact CG-CG 4.36Å; N393-R396 PolarHBondContact O-N 3.09Å; N393-R396 PolarHBondContact OD1-N 3.01Å; V394-R396 VanDerWaalsContact C-N 3.29Å; V394-R396 PolarHBondContact O-N 2.58Å; R396-R602 PolarHBondContact O-NH2 3.28Å |
| 397 | G | 72.8 | Confident | 75.2 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 9.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | D391 N393 T395 S399 S400 R602 | D391-G397 VanDerWaalsContact OD1-CA 3.26Å; D391-G397 WeakPolarHBondContact OD1-CA 3.47Å; N393-G397 WeakPolarHBondContact OD1-CA 3.48Å; N393-G397 PolarHBondContact OD1-N 3.14Å; T395-G397 PolarHBondContact O-N 3.1Å; T395-G397 VanDerWaalsContact O-N 3.13Å; G397-S399 PolarHBondContact O-N 3.13Å; G397-S400 WeakPolarHBondContact CA-OG 3.38Å; G397-S400 PolarHBondContact O-N 3.45Å; G397-S400 PolarHBondContact O-OG 2.86Å; G397-R602 VanDerWaalsContact C-CZ 3.49Å; G397-R602 VanDerWaalsContact C-NH1 3.34Å; G397-R602 VanDerWaalsContact CA-NH2 3.31Å; G397-R602 PolarHBondContact O-NH1 3.31Å; G397-R602 PolarHBondContact O-NH2 3.13Å |
| 398 | H | 69.6 | Low | 75.7 | Confident | 42 Ų | 42 | 57.8 Ų | 57.8 | 19% | 0.194 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -62.6 | -27.7 | 174.2 | -78.5 | -71.3 | 0 | 0 | 0 | 112.2 | T395 L598 R602 W603 | T395-H398 PolarHBondContact O-CD2 3.41Å; T395-H398 PolarHBondContact O-N 3.41Å; T395-H398 VanDerWaalsContact O-N 3.15Å; T395-H398 PolarHBondContact OG1-N 3.2Å; H398-L598 HydrophobicContact CB-CD2 4.17Å; H398-R602 WeakPolarHBondContact CE1-CD 3.36Å; H398-R602 WeakPolarHBondContact ND1-CD 3.5Å; H398-W603 AromaticContact CE1-CH2 3.62Å; H398-W603 AromaticContact CE1-CZ2 3.6Å; H398-W603 AromaticContact NE2-CH2 3.89Å; H398-W603 AromaticContact NE2-CZ2 3.56Å |
| 399 | S | 70.9 | Confident | 76.3 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 8% | 0.077 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -101.6 | -7 | 178.2 | 52.7 | 0 | 0 | 0 | 0 | 115.6 | F385 F386 N393 T395 G397 R401 | F385-S399 CarbonylContact O-C 3.6Å; F385-S399 VanDerWaalsContact O-CB 3.29Å; F385-S399 WeakPolarHBondContact O-CB 3.13Å; F385-S399 PolarHBondContact O-OG 3.13Å; F386-S399 WeakPolarHBondContact CA-O 3.29Å; N393-S399 PolarHBondContact ND2-OG 3.15Å; T395-S399 PolarHBondContact OG1-N 2.74Å; T395-S399 PolarHBondContact OG1-OG 3.06Å; G397-S399 PolarHBondContact O-N 3.13Å; S399-R401 VanDerWaalsContact C-N 3.29Å; S399-R401 PolarHBondContact O-N 2.81Å; S399-R401 VanDerWaalsContact O-N 3.17Å |
| 400 | S | 63 | Low | 77 | Confident | 17 Ų | 17 | 57.8 Ų | 57.8 | 12% | 0.119 | 28% | 0.282 | C | S | . | . | trans | -78.4 | 4.2 | -166.3 | 58.1 | 0 | 0 | 0 | 0 | 116.5 | F386 I388 D391 G397 | F386-S400 CarbonylContact O-C 3.41Å; F386-S400 WeakPolarHBondContact O-CA 3.46Å; I388-S400 WeakPolarHBondContact O-CB 3.26Å; D391-S400 PolarHBondContact OD1-OG 2.78Å; G397-S400 WeakPolarHBondContact CA-OG 3.38Å; G397-S400 PolarHBondContact O-N 3.45Å; G397-S400 PolarHBondContact O-OG 2.86Å | ||
| 401 | R | 63.4 | Low | 77.5 | Confident | 107 Ų | 107 | 56.9 Ų | 56.9 | 40% | 0.404 | 28% | 0.277 | S | S | . | . | trans | -85.8 | 121.5 | -171.9 | -163 | 175.3 | -175 | -166.8 | -7.6 | 110.5 | S399 G403 G593 | S399-R401 VanDerWaalsContact C-N 3.29Å; S399-R401 PolarHBondContact O-N 2.81Å; S399-R401 VanDerWaalsContact O-N 3.17Å; R401-G403 VanDerWaalsContact C-N 3.27Å; R401-G403 CarbonylContact O-C 3.45Å; R401-G403 PolarHBondContact O-N 3.33Å; R401-G593 PolarHBondContact NH1-O 2.84Å | ||
| 402 | Y | 57.8 | Low | 78.1 | Confident | 163 Ų | 163 | 53.8 Ų | 53.8 | 64% | 0.639 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -52.8 | -40 | 175.4 | -77 | -77.2 | 0 | 0 | 0 | 113.8 | H387 N404 | H387-Y402 HydrophobicContact CB-CE1 4.41Å; H387-Y402 AromaticContact CD2-CD1 3.82Å; H387-Y402 AromaticContact CD2-CE1 3.98Å; Y402-N404 PolarHBondContact O-N 3.45Å |
| 403 | G | 61.1 | Low | 78.5 | Confident | 38 Ų | 38 | 56.2 Ų | 56.2 | 39% | 0.392 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -77.1 | 119.2 | 170 | 0 | 0 | 0 | 0 | 0 | 108.8 | R401 V405 | R401-G403 VanDerWaalsContact C-N 3.27Å; R401-G403 CarbonylContact O-C 3.45Å; R401-G403 PolarHBondContact O-N 3.33Å; G403-V405 WeakPolarHBondContact O-CG2 3.2Å; G403-V405 PolarHBondContact O-N 3.18Å |
| 404 | N | 64.3 | Low | 79 | Confident | 96 Ų | 96 | 61 Ų | 61 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | trans | -72.3 | 52.7 | -173 | -151.2 | -22.8 | 0 | 0 | 0 | 113.6 | Y402 L406 W407 | Y402-N404 PolarHBondContact O-N 3.45Å; N404-L406 PolarHBondContact O-N 3.42Å; N404-W407 PolarHBondContact ND2-NE1 3.4Å; N404-W407 PolarHBondContact O-N 3.01Å; N404-W407 VanDerWaalsContact O-N 3.15Å; N404-W407 PolarHBondContact OD1-NE1 3.1Å | ||
| 405 | V | 74.7 | Confident | 79.6 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 6% | 0.055 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -66.6 | -16.3 | 179.1 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | G403 W407 S408 G593 S594 A597 | G403-V405 WeakPolarHBondContact O-CG2 3.2Å; G403-V405 PolarHBondContact O-N 3.18Å; V405-W407 PolarHBondContact O-N 2.75Å; V405-S408 WeakPolarHBondContact CG1-OG 3.39Å; V405-S408 WeakPolarHBondContact O-CB 3.49Å; V405-S408 PolarHBondContact O-N 2.85Å; V405-S408 PolarHBondContact O-OG 2.92Å; V405-G593 WeakPolarHBondContact CG1-O 3.43Å; V405-S594 VanDerWaalsContact CG1-CA 3.43Å; V405-A597 HydrophobicContact CB-CB 4.46Å; V405-A597 HydrophobicContact CG1-CB 4.02Å |
| 406 | L | 78.7 | Confident | 80.4 | Confident | 44 Ų | 44 | 58.5 Ų | 58.5 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -53.5 | -40.1 | 168.2 | -78.6 | 174.8 | 0 | 0 | 0 | 112.3 | F386 N404 S408 V409 A597 L598 | F386-L406 HydrophobicContact CD1-CD1 4.2Å; F386-L406 HydrophobicContact CE1-CD1 3.93Å; N404-L406 PolarHBondContact O-N 3.42Å; L406-S408 PolarHBondContact O-N 2.96Å; L406-V409 WeakPolarHBondContact O-CB 3.25Å; L406-V409 WeakPolarHBondContact O-CG2 3.09Å; L406-V409 PolarHBondContact O-N 2.81Å; L406-A597 HydrophobicContact CD2-CB 4.25Å; L406-L598 HydrophobicContact CD2-CG 4.4Å |
| 407 | W | 81.9 | Confident | 81.2 | Confident | 195 Ų | 195 | 52.9 Ų | 52.9 | 74% | 0.739 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -67.6 | -16.6 | 176.5 | -64 | 126.6 | 0 | 0 | 0 | 113.8 | N404 V405 V409 P410 | N404-W407 PolarHBondContact ND2-NE1 3.4Å; N404-W407 PolarHBondContact O-N 3.01Å; N404-W407 VanDerWaalsContact O-N 3.15Å; N404-W407 PolarHBondContact OD1-NE1 3.1Å; V405-W407 PolarHBondContact O-N 2.75Å; W407-V409 VanDerWaalsContact C-N 3.28Å; W407-P410 WeakPolarHBondContact O-CD 3.38Å |
| 408 | S | 88.8 | Confident | 82.2 | Confident | 19 Ų | 19 | 55.5 Ų | 55.5 | 13% | 0.133 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -78.7 | -12.5 | 172.9 | 76.2 | 0 | 0 | 0 | 0 | 112.5 | V405 L406 L411 R412 S594 | V405-S408 WeakPolarHBondContact CG1-OG 3.39Å; V405-S408 WeakPolarHBondContact O-CB 3.49Å; V405-S408 PolarHBondContact O-N 2.85Å; V405-S408 PolarHBondContact O-OG 2.92Å; L406-S408 PolarHBondContact O-N 2.96Å; S408-L411 PolarHBondContact O-N 3.04Å; S408-R412 VanDerWaalsContact O-CB 3.29Å; S408-R412 WeakPolarHBondContact O-CB 3.35Å; S408-R412 PolarHBondContact O-N 3.1Å; S408-S594 WeakPolarHBondContact OG-CB 3.47Å; S408-S594 PolarHBondContact OG-OG 3.26Å |
| 409 | V | 91.3 | Very high | 83.4 | Confident | 18 Ų | 18 | 53.9 Ų | 53.9 | 11% | 0.109 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.7 | -49.1 | -177.6 | 177.7 | 0 | 0 | 0 | 0 | 112.1 | L406 W407 L411 R412 V413 A597 L598 | L406-V409 WeakPolarHBondContact O-CB 3.25Å; L406-V409 WeakPolarHBondContact O-CG2 3.09Å; L406-V409 PolarHBondContact O-N 2.81Å; W407-V409 VanDerWaalsContact C-N 3.28Å; V409-L411 VanDerWaalsContact C-N 3.29Å; V409-L411 PolarHBondContact O-N 3.02Å; V409-R412 WeakPolarHBondContact O-CB 3.09Å; V409-R412 PolarHBondContact O-N 3.38Å; V409-R412 VanDerWaalsContact O-N 3.14Å; V409-V413 HydrophobicContact CG1-CG2 4.37Å; V409-V413 WeakPolarHBondContact O-CG2 3.35Å; V409-V413 PolarHBondContact O-N 3.16Å; V409-A597 HydrophobicContact CG2-CB 3.73Å; V409-A597 VanDerWaalsContact CG2-O 3.29Å; V409-A597 WeakPolarHBondContact CG2-O 3.44Å; V409-L598 HydrophobicContact CG1-CB 4.37Å; V409-L598 HydrophobicContact CG1-CD1 4.44Å; V409-L598 HydrophobicContact CG2-CB 4.36Å |
| 410 | P | 94 | Very high | 84.6 | Confident | 86 Ų | 86 | 56 Ų | 56 | 56% | 0.558 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -57.1 | -42.8 | 173.5 | -25.5 | 35.3 | 0 | 0 | 0 | 112.4 | W407 R412 V413 F414 | W407-P410 WeakPolarHBondContact O-CD 3.38Å; P410-R412 VanDerWaalsContact C-N 3.34Å; P410-R412 PolarHBondContact O-N 3.35Å; P410-V413 PolarHBondContact O-N 3.13Å; P410-F414 VanDerWaalsContact O-CB 3.24Å; P410-F414 WeakPolarHBondContact O-CB 3.27Å; P410-F414 PolarHBondContact O-N 2.98Å |
| 411 | L | 94.4 | Very high | 86 | Confident | 61 Ų | 61 | 58.8 Ų | 58.8 | 32% | 0.319 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 176.6 | -177.3 | 62.2 | 0 | 0 | 0 | 111.9 | S408 V409 F414 Y415 V586 A589 L590 | S408-L411 PolarHBondContact O-N 3.04Å; V409-L411 VanDerWaalsContact C-N 3.29Å; V409-L411 PolarHBondContact O-N 3.02Å; L411-F414 PolarHBondContact O-N 3.27Å; L411-Y415 WeakPolarHBondContact O-CB 3.5Å; L411-Y415 PolarHBondContact O-N 3.26Å; L411-V586 HydrophobicContact CD1-CG1 3.88Å; L411-V586 HydrophobicContact CD1-CG2 4.03Å; L411-V586 HydrophobicContact CD2-CG1 4.12Å; L411-V586 HydrophobicContact CG-CG1 3.86Å; L411-A589 HydrophobicContact CD2-CB 4.41Å; L411-L590 HydrophobicContact CB-CD2 4.5Å; L411-L590 HydrophobicContact CD2-CD2 4.43Å; L411-L590 HydrophobicContact CG-CD2 4.31Å |
| 412 | R | 95 | Very high | 87.3 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.5 | -48 | 178.6 | -166.5 | -170.2 | 68.1 | -147.4 | 2.4 | 111.4 | S408 V409 P410 Y415 G416 L550 I551 T556 L590 S594 A597 L598 | S408-R412 VanDerWaalsContact O-CB 3.29Å; S408-R412 WeakPolarHBondContact O-CB 3.35Å; S408-R412 PolarHBondContact O-N 3.1Å; V409-R412 WeakPolarHBondContact O-CB 3.09Å; V409-R412 PolarHBondContact O-N 3.38Å; V409-R412 VanDerWaalsContact O-N 3.14Å; P410-R412 VanDerWaalsContact C-N 3.34Å; P410-R412 PolarHBondContact O-N 3.35Å; R412-Y415 PolarHBondContact O-N 3.24Å; R412-G416 PolarHBondContact O-N 3.18Å; R412-L550 WeakPolarHBondContact CD-O 3.37Å; R412-L550 WeakPolarHBondContact CG-O 3.37Å; R412-L550 PolarHBondContact NE-O 2.76Å; R412-I551 PolarHBondContact NH2-O 3.33Å; R412-T556 HydrophobicContact CG-CG2 4.31Å; R412-L590 HydrophobicContact CB-CD1 4.42Å; R412-L590 HydrophobicContact CB-CD2 3.66Å; R412-L590 HydrophobicContact CG-CD1 4.32Å; R412-L590 HydrophobicContact CG-CD2 4.1Å; R412-S594 WeakPolarHBondContact CD-OG 3.49Å; R412-S594 PolarHBondContact NH1-O 3Å; R412-A597 PolarHBondContact NH1-O 3.44Å; R412-L598 PolarHBondContact NH2-O 3.05Å |
| 413 | V | 96.6 | Very high | 88.9 | Confident | 55 Ų | 55 | 49.1 Ų | 49.1 | 33% | 0.333 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 178.4 | 174.2 | 0 | 0 | 0 | 0 | 110 | V409 P410 S417 | V409-V413 HydrophobicContact CG1-CG2 4.37Å; V409-V413 WeakPolarHBondContact O-CG2 3.35Å; V409-V413 PolarHBondContact O-N 3.16Å; P410-V413 PolarHBondContact O-N 3.13Å; V413-S417 VanDerWaalsContact O-CB 3.3Å; V413-S417 WeakPolarHBondContact O-CB 3.41Å; V413-S417 PolarHBondContact O-N 3.42Å; V413-S417 PolarHBondContact O-OG 2.85Å |
| 414 | F | 96.7 | Very high | 90.4 | Very high | 103 Ų | 103 | 49 Ų | 49 | 45% | 0.452 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.5 | -49.3 | 175.8 | 176.9 | -103.9 | 0 | 0 | 0 | 112.2 | P410 L411 S417 M418 W582 | P410-F414 VanDerWaalsContact O-CB 3.24Å; P410-F414 WeakPolarHBondContact O-CB 3.27Å; P410-F414 PolarHBondContact O-N 2.98Å; L411-F414 PolarHBondContact O-N 3.27Å; F414-S417 WeakPolarHBondContact O-CB 3.46Å; F414-S417 PolarHBondContact O-N 3.02Å; F414-S417 VanDerWaalsContact O-N 3.17Å; F414-M418 HydrophobicContact CE1-CE 4.43Å; F414-M418 HydrophobicContact CE1-CG 4.3Å; F414-M418 HydrophobicContact CE2-CE 3.52Å; F414-M418 HydrophobicContact CE2-CG 4.47Å; F414-M418 HydrophobicContact CZ-CE 3.47Å; F414-M418 VanDerWaalsContact CZ-CE 3.47Å; F414-M418 HydrophobicContact CZ-CG 4.19Å; F414-M418 PolarHBondContact O-N 3.45Å; F414-W582 AromaticContact CE1-CH2 3.87Å; F414-W582 HydrophobicContact CE1-CH2 3.87Å; F414-W582 HydrophobicContact CE1-CZ3 4.26Å |
| 415 | Y | 96.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.6 | -45.4 | 179.8 | -173.4 | -121.1 | 0 | 0 | 0 | 112.4 | L411 R412 S417 M418 W419 L550 T563 W582 F583 V586 A587 L590 | L411-Y415 WeakPolarHBondContact O-CB 3.5Å; L411-Y415 PolarHBondContact O-N 3.26Å; R412-Y415 PolarHBondContact O-N 3.24Å; Y415-S417 VanDerWaalsContact C-N 3.3Å; Y415-S417 PolarHBondContact O-N 2.7Å; Y415-M418 PolarHBondContact O-N 2.88Å; Y415-W419 AromaticContact CE1-NE1 3.73Å; Y415-W419 AromaticContact CE2-NE1 3.71Å; Y415-W419 AromaticContact CZ-CD1 3.91Å; Y415-W419 AromaticContact CZ-NE1 3.29Å; Y415-W419 VanDerWaalsContact CZ-NE1 3.29Å; Y415-W419 PolarHBondContact O-N 3.13Å; Y415-W419 PolarHBondContact OH-NE1 3.22Å; Y415-L550 HydrophobicContact CD1-CD1 3.64Å; Y415-L550 HydrophobicContact CD1-CD2 4.47Å; Y415-L550 HydrophobicContact CE1-CD1 3.81Å; Y415-T563 HydrophobicContact CE1-CG2 4.17Å; Y415-T563 VanDerWaalsContact OH-CB 3.3Å; Y415-T563 WeakPolarHBondContact OH-CB 3.47Å; Y415-T563 PolarHBondContact OH-OG1 3.25Å; Y415-W582 HydrophobicContact CD2-CZ3 4.01Å; Y415-W582 HydrophobicContact CE2-CZ3 4.44Å; Y415-F583 HydrophobicContact CD2-CD1 4.42Å; Y415-F583 HydrophobicContact CE2-CB 3.95Å; Y415-F583 AromaticContact CE2-CD1 3.42Å; Y415-F583 HydrophobicContact CE2-CD1 3.42Å; Y415-F583 VanDerWaalsContact CE2-CD1 3.42Å; Y415-F583 HydrophobicContact CE2-CD2 4.36Å; Y415-F583 AromaticContact CE2-CE1 3.94Å; Y415-F583 HydrophobicContact CE2-CE1 3.94Å; Y415-F583 AromaticContact CE2-CG 3.65Å; Y415-F583 HydrophobicContact CE2-CG 3.65Å; Y415-F583 AromaticContact CZ-CD1 3.93Å; Y415-F583 PolarHBondContact OH-O 3.34Å; Y415-V586 HydrophobicContact CD1-CG1 4.01Å; Y415-V586 HydrophobicContact CD2-CB 4.09Å; Y415-V586 HydrophobicContact CD2-CG1 3.57Å; Y415-V586 HydrophobicContact CE2-CB 4.26Å; Y415-V586 HydrophobicContact CE2-CG1 4.14Å; Y415-V586 HydrophobicContact CG-CB 4.46Å; Y415-V586 HydrophobicContact CG-CG1 3.5Å; Y415-A587 HydrophobicContact CE1-CB 4.31Å; Y415-L590 HydrophobicContact CD1-CD1 3.39Å; Y415-L590 HydrophobicContact CE1-CD1 4.23Å; Y415-L590 HydrophobicContact CG-CD1 3.94Å |
| 416 | G | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.3 | -36 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R412 M418 W419 L420 A547 | R412-G416 PolarHBondContact O-N 3.18Å; G416-M418 VanDerWaalsContact C-N 3.34Å; G416-M418 PolarHBondContact O-N 2.89Å; G416-W419 PolarHBondContact O-N 3.47Å; G416-L420 PolarHBondContact O-N 2.91Å; G416-A547 WeakPolarHBondContact O-CB 3.5Å |
| 417 | S | 97 | Very high | 93.1 | Very high | 41 Ų | 41 | 46.6 Ų | 46.6 | 29% | 0.287 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.8 | -36.1 | 174.9 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | V413 F414 Y415 L420 I421 | V413-S417 VanDerWaalsContact O-CB 3.3Å; V413-S417 WeakPolarHBondContact O-CB 3.41Å; V413-S417 PolarHBondContact O-N 3.42Å; V413-S417 PolarHBondContact O-OG 2.85Å; F414-S417 WeakPolarHBondContact O-CB 3.46Å; F414-S417 PolarHBondContact O-N 3.02Å; F414-S417 VanDerWaalsContact O-N 3.17Å; Y415-S417 VanDerWaalsContact C-N 3.3Å; Y415-S417 PolarHBondContact O-N 2.7Å; S417-L420 WeakPolarHBondContact O-CB 3.35Å; S417-L420 PolarHBondContact O-N 3.3Å; S417-I421 VanDerWaalsContact O-CG1 3.26Å; S417-I421 WeakPolarHBondContact O-CG1 3.41Å; S417-I421 PolarHBondContact O-N 3.21Å |
| 418 | M | 94.4 | Very high | 93.6 | Very high | 57 Ų | 57 | 37.4 Ų | 37.4 | 28% | 0.281 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.6 | -44 | 174.8 | -76.6 | -66.5 | 172 | 0 | 0 | 112.1 | F414 Y415 G416 L420 I421 E422 W582 F583 | F414-M418 HydrophobicContact CE1-CE 4.43Å; F414-M418 HydrophobicContact CE1-CG 4.3Å; F414-M418 HydrophobicContact CE2-CE 3.52Å; F414-M418 HydrophobicContact CE2-CG 4.47Å; F414-M418 HydrophobicContact CZ-CE 3.47Å; F414-M418 VanDerWaalsContact CZ-CE 3.47Å; F414-M418 HydrophobicContact CZ-CG 4.19Å; F414-M418 PolarHBondContact O-N 3.45Å; Y415-M418 PolarHBondContact O-N 2.88Å; G416-M418 VanDerWaalsContact C-N 3.34Å; G416-M418 PolarHBondContact O-N 2.89Å; M418-L420 VanDerWaalsContact C-N 3.27Å; M418-L420 PolarHBondContact O-N 2.92Å; M418-I421 PolarHBondContact O-N 3.27Å; M418-I421 HydrophobicContact SD-CD1 4.35Å; M418-E422 PolarHBondContact O-N 3.06Å; M418-W582 HydrophobicContact CG-CH2 4.22Å; M418-F583 HydrophobicContact CB-CZ 3.99Å |
| 419 | W | 94.4 | Very high | 93.6 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.5 | -38 | 171 | -81.9 | 97 | 0 | 0 | 0 | 112.2 | Y415 G416 E422 A423 E543 A547 T563 L566 F570 F583 | Y415-W419 AromaticContact CE1-NE1 3.73Å; Y415-W419 AromaticContact CE2-NE1 3.71Å; Y415-W419 AromaticContact CZ-CD1 3.91Å; Y415-W419 AromaticContact CZ-NE1 3.29Å; Y415-W419 VanDerWaalsContact CZ-NE1 3.29Å; Y415-W419 PolarHBondContact O-N 3.13Å; Y415-W419 PolarHBondContact OH-NE1 3.22Å; G416-W419 PolarHBondContact O-N 3.47Å; W419-E422 PolarHBondContact O-N 2.71Å; W419-A423 WeakPolarHBondContact O-CB 3.43Å; W419-A423 PolarHBondContact O-N 2.88Å; W419-E543 HydrophobicContact CE3-CB 4.21Å; W419-E543 HydrophobicContact CE3-CG 3.92Å; W419-E543 HydrophobicContact CZ3-CG 3.77Å; W419-A547 HydrophobicContact CB-CB 3.83Å; W419-T563 HydrophobicContact CD2-CG2 4.22Å; W419-T563 VanDerWaalsContact CE2-CG2 3.43Å; W419-T563 HydrophobicContact CH2-CG2 4.49Å; W419-T563 HydrophobicContact CZ2-CG2 3.61Å; W419-L566 HydrophobicContact CH2-CB 4.17Å; W419-L566 HydrophobicContact CH2-CD1 4.22Å; W419-L566 HydrophobicContact CZ3-CD1 4.38Å; W419-F570 AromaticContact CH2-CE2 3.89Å; W419-F570 HydrophobicContact CH2-CE2 3.89Å; W419-F570 HydrophobicContact CZ3-CE2 4.1Å; W419-F583 AromaticContact CD1-CE1 3.93Å; W419-F583 HydrophobicContact CD2-CE1 4.35Å; W419-F583 AromaticContact CE2-CD1 3.85Å; W419-F583 AromaticContact CE2-CE1 3.79Å; W419-F583 HydrophobicContact CG-CE1 4.43Å; W419-F583 AromaticContact CZ2-CD1 3.98Å; W419-F583 HydrophobicContact CZ2-CD1 3.98Å; W419-F583 HydrophobicContact CZ2-CE1 4.23Å; W419-F583 AromaticContact NE1-CD1 3.52Å; W419-F583 AromaticContact NE1-CE1 3.49Å |
| 420 | L | 95.4 | Very high | 93.4 | Very high | 56 Ų | 56 | 42.2 Ų | 42.2 | 29% | 0.293 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.4 | -41.2 | 177 | -168 | 60.3 | 0 | 0 | 0 | 111.8 | G416 S417 M418 A423 S424 A547 I551 | G416-L420 PolarHBondContact O-N 2.91Å; S417-L420 WeakPolarHBondContact O-CB 3.35Å; S417-L420 PolarHBondContact O-N 3.3Å; M418-L420 VanDerWaalsContact C-N 3.27Å; M418-L420 PolarHBondContact O-N 2.92Å; L420-A423 PolarHBondContact O-N 3.12Å; L420-S424 VanDerWaalsContact O-CB 3.26Å; L420-S424 WeakPolarHBondContact O-CB 3.35Å; L420-S424 PolarHBondContact O-N 3.05Å; L420-S424 PolarHBondContact O-OG 3.22Å; L420-A547 HydrophobicContact CB-CB 3.83Å; L420-A547 HydrophobicContact CD1-CB 4.15Å; L420-I551 HydrophobicContact CD2-CD1 4.14Å |
| 421 | I | 93.1 | Very high | 93.1 | Very high | 76 Ų | 76 | 39.3 Ų | 39.3 | 39% | 0.39 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.6 | -47.9 | 177.6 | -70.9 | 163.2 | 0 | 0 | 0 | 110.1 | S417 M418 A423 S424 K425 | S417-I421 VanDerWaalsContact O-CG1 3.26Å; S417-I421 WeakPolarHBondContact O-CG1 3.41Å; S417-I421 PolarHBondContact O-N 3.21Å; M418-I421 PolarHBondContact O-N 3.27Å; M418-I421 HydrophobicContact SD-CD1 4.35Å; I421-A423 PolarHBondContact O-N 2.97Å; I421-S424 PolarHBondContact O-N 3.07Å; I421-S424 VanDerWaalsContact O-N 3.17Å; I421-K425 PolarHBondContact O-N 3.21Å |
| 422 | E | 90.1 | Very high | 92.9 | Very high | 67 Ų | 67 | 39.4 Ų | 39.4 | 31% | 0.313 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 177.8 | -71 | -55.2 | 130.5 | 0 | 0 | 112.1 | M418 W419 S424 K425 K426 | M418-E422 PolarHBondContact O-N 3.06Å; W419-E422 PolarHBondContact O-N 2.71Å; E422-S424 VanDerWaalsContact C-N 3.31Å; E422-S424 PolarHBondContact O-N 3.25Å; E422-K425 WeakPolarHBondContact O-CB 3.46Å; E422-K425 PolarHBondContact O-N 2.95Å; E422-K425 IonicContact OE1-NZ 3.73Å; E422-K425 PolarHBondContact OE1-NZ 3.22Å; E422-K425 IonicContact OE2-NZ 3.4Å; E422-K426 PolarHBondContact O-N 2.7Å |
| 423 | A | 91.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.7 | -36.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W419 L420 I421 K425 K426 V427 E543 I544 | W419-A423 WeakPolarHBondContact O-CB 3.43Å; W419-A423 PolarHBondContact O-N 2.88Å; L420-A423 PolarHBondContact O-N 3.12Å; I421-A423 PolarHBondContact O-N 2.97Å; A423-K425 VanDerWaalsContact C-N 3.34Å; A423-K425 PolarHBondContact O-N 3.31Å; A423-K426 WeakPolarHBondContact O-CB 3.43Å; A423-K426 PolarHBondContact O-N 3Å; A423-K426 VanDerWaalsContact O-N 3.14Å; A423-V427 PolarHBondContact O-N 3.4Å; A423-E543 HydrophobicContact CB-CB 3.78Å; A423-I544 HydrophobicContact CB-CG1 3.65Å |
| 424 | S | 91.7 | Very high | 92.2 | Very high | 35 Ų | 35 | 50.2 Ų | 50.2 | 25% | 0.245 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.5 | -35.5 | 178.2 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | L420 I421 E422 K426 V427 V428 | L420-S424 VanDerWaalsContact O-CB 3.26Å; L420-S424 WeakPolarHBondContact O-CB 3.35Å; L420-S424 PolarHBondContact O-N 3.05Å; L420-S424 PolarHBondContact O-OG 3.22Å; I421-S424 PolarHBondContact O-N 3.07Å; I421-S424 VanDerWaalsContact O-N 3.17Å; E422-S424 VanDerWaalsContact C-N 3.31Å; E422-S424 PolarHBondContact O-N 3.25Å; S424-K426 VanDerWaalsContact C-N 3.26Å; S424-K426 PolarHBondContact O-N 2.87Å; S424-V427 PolarHBondContact O-N 2.99Å; S424-V428 WeakPolarHBondContact O-CB 3.4Å; S424-V428 WeakPolarHBondContact O-CG2 3.31Å; S424-V428 PolarHBondContact O-N 3.13Å |
| 425 | K | 91.1 | Very high | 91.9 | Very high | 58 Ų | 58 | 48.8 Ų | 48.8 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.6 | -41.1 | 171.4 | -69.4 | 173.9 | -178.3 | 171.7 | 0 | 111.4 | I421 E422 A423 V427 G429 Y433 A479 | I421-K425 PolarHBondContact O-N 3.21Å; E422-K425 WeakPolarHBondContact O-CB 3.46Å; E422-K425 PolarHBondContact O-N 2.95Å; E422-K425 IonicContact OE1-NZ 3.73Å; E422-K425 PolarHBondContact OE1-NZ 3.22Å; E422-K425 IonicContact OE2-NZ 3.4Å; A423-K425 VanDerWaalsContact C-N 3.34Å; A423-K425 PolarHBondContact O-N 3.31Å; K425-V427 VanDerWaalsContact C-N 3.31Å; K425-V427 PolarHBondContact O-N 3.15Å; K425-G429 PolarHBondContact O-N 2.68Å; K425-Y433 VanDerWaalsContact CG-OH 3.24Å; K425-Y433 WeakPolarHBondContact CG-OH 3.37Å; K425-A479 PolarHBondContact NZ-O 3.2Å |
| 426 | K | 92 | Very high | 91.5 | Very high | 25 Ų | 25 | 52.8 Ų | 52.8 | 11% | 0.109 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.1 | -30.9 | 178.5 | -61.3 | 175.6 | -177.4 | -178 | 0 | 113.1 | E422 A423 S424 S444 W445 T540 E543 | E422-K426 PolarHBondContact O-N 2.7Å; A423-K426 WeakPolarHBondContact O-CB 3.43Å; A423-K426 PolarHBondContact O-N 3Å; A423-K426 VanDerWaalsContact O-N 3.14Å; S424-K426 VanDerWaalsContact C-N 3.26Å; S424-K426 PolarHBondContact O-N 2.87Å; K426-S444 PolarHBondContact O-OG 3.22Å; K426-S444 VanDerWaalsContact O-OG 3.07Å; K426-W445 HydrophobicContact CB-CB 4.18Å; K426-W445 HydrophobicContact CB-CD2 4.11Å; K426-W445 HydrophobicContact CB-CG 3.82Å; K426-W445 HydrophobicContact CD-CD2 3.87Å; K426-W445 HydrophobicContact CD-CE3 3.91Å; K426-W445 HydrophobicContact CD-CG 4.46Å; K426-W445 HydrophobicContact CD-CH2 4.34Å; K426-W445 HydrophobicContact CD-CZ2 4.22Å; K426-W445 HydrophobicContact CD-CZ3 4.18Å; K426-W445 HydrophobicContact CG-CD2 3.89Å; K426-W445 HydrophobicContact CG-CE3 4.42Å; K426-W445 HydrophobicContact CG-CG 4.03Å; K426-W445 HydrophobicContact CG-CZ2 4.49Å; K426-W445 PolarHBondContact O-N 3.13Å; K426-T540 HydrophobicContact CB-CG2 3.89Å; K426-E543 WeakPolarHBondContact CD-OE2 3.48Å; K426-E543 VanDerWaalsContact CE-OE2 3.31Å; K426-E543 WeakPolarHBondContact CE-OE2 3.48Å; K426-E543 IonicContact NZ-OE1 3.45Å; K426-E543 PolarHBondContact NZ-OE1 3.44Å; K426-E543 IonicContact NZ-OE2 2.9Å; K426-E543 PolarHBondContact NZ-OE2 3.4Å |
| 427 | V | 92.5 | Very high | 91.2 | Very high | 16 Ų | 16 | 57.8 Ų | 57.8 | 10% | 0.097 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -76.4 | -51.9 | 175.2 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | A423 S424 K425 W439 F440 S444 F446 T540 I544 | A423-V427 PolarHBondContact O-N 3.4Å; S424-V427 PolarHBondContact O-N 2.99Å; K425-V427 VanDerWaalsContact C-N 3.31Å; K425-V427 PolarHBondContact O-N 3.15Å; V427-W439 HydrophobicContact CG1-CD2 4.49Å; V427-W439 HydrophobicContact CG1-CE3 4Å; V427-F440 HydrophobicContact CG1-CD1 4.34Å; V427-F440 HydrophobicContact CG1-CE1 3.71Å; V427-F440 HydrophobicContact CG1-CZ 3.97Å; V427-F440 PolarHBondContact O-N 2.88Å; V427-F440 VanDerWaalsContact O-N 3.1Å; V427-S444 WeakPolarHBondContact O-CB 3.37Å; V427-S444 PolarHBondContact O-OG 2.73Å; V427-F446 HydrophobicContact CB-CE2 4.45Å; V427-F446 HydrophobicContact CG2-CE2 3.89Å; V427-T540 HydrophobicContact CG2-CG2 3.74Å; V427-I544 HydrophobicContact CG2-CD1 4.17Å |
| 428 | V | 91.9 | Very high | 90.8 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -76.6 | -35.3 | -170.4 | 177.9 | 0 | 0 | 0 | 0 | 112.3 | S424 G431 Y433 W439 | S424-V428 WeakPolarHBondContact O-CB 3.4Å; S424-V428 WeakPolarHBondContact O-CG2 3.31Å; S424-V428 PolarHBondContact O-N 3.13Å; V428-G431 VanDerWaalsContact CG1-C 3.44Å; V428-G431 VanDerWaalsContact CG1-O 3.28Å; V428-G431 WeakPolarHBondContact CG1-O 3.47Å; V428-G431 PolarHBondContact O-N 3.3Å; V428-G431 VanDerWaalsContact O-N 3.17Å; V428-Y433 HydrophobicContact CB-CD1 4.36Å; V428-Y433 HydrophobicContact CB-CE1 4.21Å; V428-Y433 HydrophobicContact CG1-CD1 4.44Å; V428-Y433 HydrophobicContact CG2-CD1 3.69Å; V428-Y433 HydrophobicContact CG2-CE1 3.84Å; V428-W439 HydrophobicContact CG2-CD2 4.06Å; V428-W439 HydrophobicContact CG2-CG 4.03Å; V428-W439 HydrophobicContact CG2-CZ2 4.43Å |
| 429 | G | 89.8 | Confident | 90.7 | Very high | 23 Ų | 23 | 58.9 Ų | 58.9 | 24% | 0.237 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | -134.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K425 G431 S442 | K425-G429 PolarHBondContact O-N 2.68Å; G429-G431 PolarHBondContact O-N 3.26Å; G429-S442 WeakPolarHBondContact CA-O 3.32Å |
| 430 | D | 87.5 | Confident | 90.5 | Very high | 114 Ų | 114 | 63.9 Ų | 63.9 | 61% | 0.61 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 0.7 | 176 | -52.3 | -39.3 | 0 | 0 | 0 | 113.1 | S442 | D430-S442 PolarHBondContact N-O 3.17Å; D430-S442 VanDerWaalsContact OD2-C 3.26Å; D430-S442 WeakPolarHBondContact OD2-CB 3.3Å; D430-S442 PolarHBondContact OD2-OG 3.37Å |
| 431 | G | 87.2 | Confident | 90.2 | Very high | 25 Ų | 25 | 62.6 Ų | 62.6 | 26% | 0.258 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -67.9 | 176.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V428 G429 | V428-G431 VanDerWaalsContact CG1-C 3.44Å; V428-G431 VanDerWaalsContact CG1-O 3.28Å; V428-G431 WeakPolarHBondContact CG1-O 3.47Å; V428-G431 PolarHBondContact O-N 3.3Å; V428-G431 VanDerWaalsContact O-N 3.17Å; G429-G431 PolarHBondContact O-N 3.26Å |
| 432 | S | 89.2 | Confident | 89.8 | Confident | 64 Ų | 64 | 62.9 Ų | 62.9 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | trans | -95.4 | 131.3 | 172.2 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | L434 N435 S438 W439 | S432-L434 PolarHBondContact O-N 3.18Å; S432-L434 VanDerWaalsContact O-N 3.14Å; S432-L434 PolarHBondContact OG-N 2.57Å; S432-N435 CarbonylContact O-C 3.55Å; S432-N435 PolarHBondContact O-N 3.35Å; S432-S438 PolarHBondContact N-OG 3.11Å; S432-S438 PolarHBondContact O-OG 3.41Å; S432-W439 PolarHBondContact O-NE1 3.31Å; S432-W439 VanDerWaalsContact O-NE1 3.1Å | ||
| 433 | Y | 87.6 | Confident | 89.5 | Confident | 119 Ų | 119 | 61.9 Ų | 61.9 | 47% | 0.467 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -33.1 | 174.6 | -69.8 | -74 | 0 | 0 | 0 | 113.2 | K425 V428 W439 | K425-Y433 VanDerWaalsContact CG-OH 3.24Å; K425-Y433 WeakPolarHBondContact CG-OH 3.37Å; V428-Y433 HydrophobicContact CB-CD1 4.36Å; V428-Y433 HydrophobicContact CB-CE1 4.21Å; V428-Y433 HydrophobicContact CG1-CD1 4.44Å; V428-Y433 HydrophobicContact CG2-CD1 3.69Å; V428-Y433 HydrophobicContact CG2-CE1 3.84Å; Y433-W439 WeakPolarHBondContact O-CZ2 3.43Å; Y433-W439 PolarHBondContact O-NE1 3.07Å |
| 434 | L | 89.9 | Confident | 89.4 | Confident | 167 Ų | 167 | 61.9 Ų | 61.9 | 87% | 0.874 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -2.7 | -178.8 | -63.5 | 179.5 | 0 | 0 | 0 | 113.6 | S432 P436 | S432-L434 PolarHBondContact O-N 3.18Å; S432-L434 VanDerWaalsContact O-N 3.14Å; S432-L434 PolarHBondContact OG-N 2.57Å; L434-P436 WeakPolarHBondContact O-CD 3.49Å |
| 435 | N | 89.4 | Confident | 89.4 | Confident | 73 Ų | 73 | 61.4 Ų | 61.4 | 39% | 0.39 | 36% | 0.358 | S | S | . | . | trans | -119.6 | 89.4 | 175.8 | -174.4 | 8.7 | 0 | 0 | 0 | 110.7 | S432 S437 S438 | S432-N435 CarbonylContact O-C 3.55Å; S432-N435 PolarHBondContact O-N 3.35Å; N435-S437 VanDerWaalsContact CG-OG 3.28Å; N435-S437 PolarHBondContact ND2-OG 2.9Å; N435-S437 PolarHBondContact O-N 2.94Å; N435-S437 PolarHBondContact OD1-N 3.29Å; N435-S437 PolarHBondContact OD1-OG 3.17Å; N435-S438 WeakPolarHBondContact O-CB 3.42Å; N435-S438 PolarHBondContact O-N 3.38Å; N435-S438 PolarHBondContact O-OG 2.96Å | ||
| 436 | P | 88.4 | Confident | 89.4 | Confident | 84 Ų | 84 | 60.6 Ų | 60.6 | 55% | 0.545 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -56.2 | -24.7 | 179.9 | -26.8 | 35.3 | 0 | 0 | 0 | 114.5 | L434 S438 W439 | L434-P436 WeakPolarHBondContact O-CD 3.49Å; P436-S438 PolarHBondContact O-N 3Å; P436-W439 HydrophobicContact CB-CD2 4.42Å; P436-W439 WeakPolarHBondContact O-CB 3.12Å; P436-W439 PolarHBondContact O-N 3.24Å |
| 437 | S | 90.1 | Very high | 89.3 | Confident | 104 Ų | 104 | 60.8 Ų | 60.8 | 73% | 0.727 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -68.6 | -18 | 175.9 | 70.8 | 0 | 0 | 0 | 0 | 113.7 | N435 | N435-S437 VanDerWaalsContact CG-OG 3.28Å; N435-S437 PolarHBondContact ND2-OG 2.9Å; N435-S437 PolarHBondContact O-N 2.94Å; N435-S437 PolarHBondContact OD1-N 3.29Å; N435-S437 PolarHBondContact OD1-OG 3.17Å |
| 438 | S | 89.9 | Confident | 89 | Confident | 33 Ų | 33 | 65.6 Ų | 65.6 | 23% | 0.231 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -92.5 | -4.9 | 175.7 | 68 | 0 | 0 | 0 | 0 | 113.7 | S432 N435 P436 | S432-S438 PolarHBondContact N-OG 3.11Å; S432-S438 PolarHBondContact O-OG 3.41Å; N435-S438 WeakPolarHBondContact O-CB 3.42Å; N435-S438 PolarHBondContact O-N 3.38Å; N435-S438 PolarHBondContact O-OG 2.96Å; P436-S438 PolarHBondContact O-N 3Å |
| 439 | W | 91.5 | Very high | 88.7 | Confident | 89 Ų | 89 | 70.9 Ų | 70.9 | 34% | 0.337 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 159.6 | 177.4 | -62.8 | 6.5 | 0 | 0 | 0 | 110.1 | V427 V428 S432 Y433 P436 G441 | V427-W439 HydrophobicContact CG1-CD2 4.49Å; V427-W439 HydrophobicContact CG1-CE3 4Å; V428-W439 HydrophobicContact CG2-CD2 4.06Å; V428-W439 HydrophobicContact CG2-CG 4.03Å; V428-W439 HydrophobicContact CG2-CZ2 4.43Å; S432-W439 PolarHBondContact O-NE1 3.31Å; S432-W439 VanDerWaalsContact O-NE1 3.1Å; Y433-W439 WeakPolarHBondContact O-CZ2 3.43Å; Y433-W439 PolarHBondContact O-NE1 3.07Å; P436-W439 HydrophobicContact CB-CD2 4.42Å; P436-W439 WeakPolarHBondContact O-CB 3.12Å; P436-W439 PolarHBondContact O-N 3.24Å; W439-G441 PolarHBondContact O-N 3.38Å |
| 440 | F | 91.5 | Very high | 88.5 | Confident | 112 Ų | 112 | 70.6 Ų | 70.6 | 49% | 0.491 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 15.1 | -178.1 | -41 | -74.4 | 0 | 0 | 0 | 114 | V427 F446 | V427-F440 HydrophobicContact CG1-CD1 4.34Å; V427-F440 HydrophobicContact CG1-CE1 3.71Å; V427-F440 HydrophobicContact CG1-CZ 3.97Å; V427-F440 PolarHBondContact O-N 2.88Å; V427-F440 VanDerWaalsContact O-N 3.1Å; F440-F446 HydrophobicContact CB-CB 4.3Å; F440-F446 HydrophobicContact CD1-CB 3.67Å; F440-F446 HydrophobicContact CD1-CD1 4.17Å; F440-F446 AromaticContact CD1-CD2 3.75Å; F440-F446 HydrophobicContact CD1-CD2 3.75Å; F440-F446 HydrophobicContact CD1-CE2 4.47Å; F440-F446 AromaticContact CD1-CG 3.58Å; F440-F446 HydrophobicContact CD1-CG 3.58Å; F440-F446 HydrophobicContact CE1-CD1 4.26Å; F440-F446 AromaticContact CE1-CD2 3.99Å; F440-F446 HydrophobicContact CE1-CD2 3.99Å; F440-F446 HydrophobicContact CE1-CE2 4.26Å; F440-F446 AromaticContact CE1-CG 3.99Å; F440-F446 HydrophobicContact CE1-CG 3.99Å; F440-F446 HydrophobicContact CG-CB 4.46Å |
| 441 | G | 87.7 | Confident | 88.4 | Confident | 29 Ų | 29 | 66.9 Ų | 66.9 | 30% | 0.299 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -84 | -155.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | W439 S444 T447 | W439-G441 PolarHBondContact O-N 3.38Å; G441-S444 WeakPolarHBondContact O-CB 3.47Å; G441-S444 PolarHBondContact O-N 3.02Å; G441-S444 VanDerWaalsContact O-N 3.13Å; G441-T447 WeakPolarHBondContact O-CG2 3.36Å |
| 442 | S | 85.5 | Confident | 88.2 | Confident | 82 Ų | 82 | 66.6 Ų | 66.6 | 57% | 0.573 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 144 | 176.1 | 62.1 | 0 | 0 | 0 | 0 | 111.5 | G429 D430 S444 | G429-S442 WeakPolarHBondContact CA-O 3.32Å; D430-S442 PolarHBondContact N-O 3.17Å; D430-S442 VanDerWaalsContact OD2-C 3.26Å; D430-S442 WeakPolarHBondContact OD2-CB 3.3Å; D430-S442 PolarHBondContact OD2-OG 3.37Å; S442-S444 PolarHBondContact O-N 2.91Å; S442-S444 VanDerWaalsContact O-N 3.13Å |
| 443 | G | 83.3 | Confident | 87.7 | Confident | 46 Ų | 46 | 67.1 Ų | 67.1 | 47% | 0.474 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | -12.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 444 | S | 90.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | trans | -73.9 | 143.2 | 176.2 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | K426 V427 G441 S442 F446 T447 | K426-S444 PolarHBondContact O-OG 3.22Å; K426-S444 VanDerWaalsContact O-OG 3.07Å; V427-S444 WeakPolarHBondContact O-CB 3.37Å; V427-S444 PolarHBondContact O-OG 2.73Å; G441-S444 WeakPolarHBondContact O-CB 3.47Å; G441-S444 PolarHBondContact O-N 3.02Å; G441-S444 VanDerWaalsContact O-N 3.13Å; S442-S444 PolarHBondContact O-N 2.91Å; S442-S444 VanDerWaalsContact O-N 3.13Å; S444-F446 PolarHBondContact O-N 3.48Å; S444-F446 PolarHBondContact OG-N 3.36Å; S444-T447 WeakPolarHBondContact O-CG2 3.43Å; S444-T447 PolarHBondContact O-N 3.49Å; S444-T447 PolarHBondContact O-OG1 3.1Å | ||
| 445 | W | 90.8 | Very high | 87.2 | Confident | 24 Ų | 24 | 58.8 Ų | 58.8 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -5.8 | 173.5 | -75.1 | 35 | 0 | 0 | 0 | 112.6 | K426 V451 F452 Q536 M539 M575 | K426-W445 HydrophobicContact CB-CB 4.18Å; K426-W445 HydrophobicContact CB-CD2 4.11Å; K426-W445 HydrophobicContact CB-CG 3.82Å; K426-W445 HydrophobicContact CD-CD2 3.87Å; K426-W445 HydrophobicContact CD-CE3 3.91Å; K426-W445 HydrophobicContact CD-CG 4.46Å; K426-W445 HydrophobicContact CD-CH2 4.34Å; K426-W445 HydrophobicContact CD-CZ2 4.22Å; K426-W445 HydrophobicContact CD-CZ3 4.18Å; K426-W445 HydrophobicContact CG-CD2 3.89Å; K426-W445 HydrophobicContact CG-CE3 4.42Å; K426-W445 HydrophobicContact CG-CG 4.03Å; K426-W445 HydrophobicContact CG-CZ2 4.49Å; K426-W445 PolarHBondContact O-N 3.13Å; W445-V451 HydrophobicContact CG-CG2 4.43Å; W445-V451 HydrophobicContact CZ2-CG1 4.15Å; W445-F452 HydrophobicContact CH2-CE1 4.2Å; W445-F452 HydrophobicContact CZ3-CE1 4.34Å; W445-F452 HydrophobicContact CZ3-CZ 4.27Å; W445-Q536 HydrophobicContact CB-CG 4.49Å; W445-Q536 HydrophobicContact CD2-CB 4.14Å; W445-Q536 HydrophobicContact CE3-CB 3.46Å; W445-Q536 VanDerWaalsContact CE3-CB 3.46Å; W445-Q536 HydrophobicContact CZ3-CB 3.89Å; W445-Q536 WeakPolarHBondContact O-CG 3.5Å; W445-Q536 PolarHBondContact O-NE2 3.1Å; W445-M539 HydrophobicContact CZ3-CB 4.45Å; W445-M539 HydrophobicContact CZ3-CG 4.49Å; W445-M575 HydrophobicContact CH2-CE 4.18Å; W445-M575 HydrophobicContact CZ2-CE 4.22Å |
| 446 | F | 91.5 | Very high | 87 | Confident | 42 Ų | 42 | 58.6 Ų | 58.6 | 18% | 0.184 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -3.2 | 176.7 | -70.6 | -93.7 | 0 | 0 | 0 | 113.9 | V427 F440 S444 K537 T540 F541 | V427-F446 HydrophobicContact CB-CE2 4.45Å; V427-F446 HydrophobicContact CG2-CE2 3.89Å; F440-F446 HydrophobicContact CB-CB 4.3Å; F440-F446 HydrophobicContact CD1-CB 3.67Å; F440-F446 HydrophobicContact CD1-CD1 4.17Å; F440-F446 AromaticContact CD1-CD2 3.75Å; F440-F446 HydrophobicContact CD1-CD2 3.75Å; F440-F446 HydrophobicContact CD1-CE2 4.47Å; F440-F446 AromaticContact CD1-CG 3.58Å; F440-F446 HydrophobicContact CD1-CG 3.58Å; F440-F446 HydrophobicContact CE1-CD1 4.26Å; F440-F446 AromaticContact CE1-CD2 3.99Å; F440-F446 HydrophobicContact CE1-CD2 3.99Å; F440-F446 HydrophobicContact CE1-CE2 4.26Å; F440-F446 AromaticContact CE1-CG 3.99Å; F440-F446 HydrophobicContact CE1-CG 3.99Å; F440-F446 HydrophobicContact CG-CB 4.46Å; S444-F446 PolarHBondContact O-N 3.48Å; S444-F446 PolarHBondContact OG-N 3.36Å; F446-K537 HydrophobicContact CD1-CD 4.34Å; F446-K537 HydrophobicContact CD1-CG 3.94Å; F446-K537 HydrophobicContact CE1-CB 4.27Å; F446-K537 HydrophobicContact CE1-CG 4.18Å; F446-K537 HydrophobicContact CG-CG 4.48Å; F446-K537 WeakPolarHBondContact O-CE 3.33Å; F446-T540 HydrophobicContact CE2-CG2 3.87Å; F446-T540 HydrophobicContact CZ-CG2 4.2Å; F446-F541 AromaticContact CE1-CE2 3.88Å; F446-F541 HydrophobicContact CE1-CE2 3.88Å; F446-F541 AromaticContact CE1-CZ 3.91Å; F446-F541 HydrophobicContact CE1-CZ 3.91Å; F446-F541 HydrophobicContact CZ-CE2 4.11Å; F446-F541 HydrophobicContact CZ-CZ 4.09Å |
| 447 | T | 89.4 | Confident | 86.9 | Confident | 29 Ų | 29 | 54.7 Ų | 54.7 | 18% | 0.178 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -74.8 | 172.3 | 171.9 | 63.6 | 0 | 0 | 0 | 0 | 112.1 | G441 S444 N449 Q536 | G441-T447 WeakPolarHBondContact O-CG2 3.36Å; S444-T447 WeakPolarHBondContact O-CG2 3.43Å; S444-T447 PolarHBondContact O-N 3.49Å; S444-T447 PolarHBondContact O-OG1 3.1Å; T447-N449 PolarHBondContact O-N 2.82Å; T447-Q536 PolarHBondContact O-NE2 2.81Å |
| 448 | D | 86.1 | Confident | 86.4 | Confident | 116 Ų | 116 | 54.1 Ų | 54.1 | 62% | 0.62 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -84.6 | 7.3 | 176.5 | -62 | -38.5 | 0 | 0 | 0 | 113.3 | ||
| 449 | N | 86.1 | Confident | 85.3 | Confident | 113 Ų | 113 | 59.2 Ų | 59.2 | 60% | 0.604 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -87.3 | 132.2 | 174.7 | -65.6 | -35 | 0 | 0 | 0 | 110.3 | T447 V451 Q536 | T447-N449 PolarHBondContact O-N 2.82Å; N449-V451 PolarHBondContact O-N 3.4Å; N449-Q536 PolarHBondContact O-NE2 3.14Å; N449-Q536 VanDerWaalsContact O-NE2 3.1Å |
| 450 | V | 85.8 | Confident | 83 | Confident | 17 Ų | 17 | 63.2 Ų | 63.2 | 10% | 0.103 | 35% | 0.347 | C | S | . | . | trans | -81.3 | 114.1 | 176.8 | 178.1 | 0 | 0 | 0 | 0 | 109 | F452 L457 Q458 R529 A532 L533 | V450-F452 HydrophobicContact CG1-CB 4.13Å; V450-F452 HydrophobicContact CG1-CD2 4.28Å; V450-L457 HydrophobicContact CG1-CB 4.1Å; V450-L457 HydrophobicContact CG1-CD1 4.18Å; V450-Q458 PolarHBondContact O-NE2 2.79Å; V450-R529 HydrophobicContact CG2-CB 4.21Å; V450-R529 HydrophobicContact CG2-CG 4.17Å; V450-A532 HydrophobicContact CG1-CB 4.15Å; V450-A532 HydrophobicContact CG2-CB 4.44Å; V450-L533 HydrophobicContact CG2-CD2 3.9Å; V450-L533 HydrophobicContact CG2-CG 4.15Å | ||
| 451 | V | 84.3 | Confident | 80.6 | Confident | 37 Ų | 37 | 63.7 Ų | 63.7 | 22% | 0.224 | 36% | 0.359 | C | S | . | . | trans | -82.8 | -17.3 | -178.6 | -174.9 | 0 | 0 | 0 | 0 | 112.3 | W445 N449 A475 | W445-V451 HydrophobicContact CG-CG2 4.43Å; W445-V451 HydrophobicContact CZ2-CG1 4.15Å; N449-V451 PolarHBondContact O-N 3.4Å; V451-A475 HydrophobicContact CG1-CB 4.45Å | ||
| 452 | F | 84.8 | Confident | 77.9 | Confident | 19 Ų | 19 | 68.2 Ų | 68.2 | 8% | 0.083 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -68.8 | 133.5 | -178.7 | -64.5 | -65.5 | 0 | 0 | 0 | 112.3 | W445 V450 F454 L457 Q458 M526 A532 M535 Q536 M575 | W445-F452 HydrophobicContact CH2-CE1 4.2Å; W445-F452 HydrophobicContact CZ3-CE1 4.34Å; W445-F452 HydrophobicContact CZ3-CZ 4.27Å; V450-F452 HydrophobicContact CG1-CB 4.13Å; V450-F452 HydrophobicContact CG1-CD2 4.28Å; F452-F454 HydrophobicContact CB-CD2 3.77Å; F452-F454 HydrophobicContact CB-CE2 3.73Å; F452-F454 HydrophobicContact CB-CG 4.23Å; F452-F454 HydrophobicContact CB-CZ 4.19Å; F452-F454 HydrophobicContact CD1-CE2 4.02Å; F452-F454 HydrophobicContact CD1-CZ 4.12Å; F452-F454 HydrophobicContact CG-CD2 4.37Å; F452-F454 AromaticContact CG-CE2 3.92Å; F452-F454 HydrophobicContact CG-CE2 3.92Å; F452-F454 HydrophobicContact CG-CZ 4.39Å; F452-F454 PolarHBondContact O-N 3.11Å; F452-L457 HydrophobicContact CB-CD1 4.37Å; F452-Q458 PolarHBondContact O-NE2 3.41Å; F452-M526 HydrophobicContact CD2-SD 4.04Å; F452-M526 HydrophobicContact CE2-SD 3.79Å; F452-M526 HydrophobicContact CZ-SD 4.22Å; F452-A532 HydrophobicContact CD2-CB 4.18Å; F452-A532 WeakPolarHBondContact CE2-O 3.26Å; F452-M535 HydrophobicContact CE2-CB 4.41Å; F452-Q536 HydrophobicContact CE2-CB 3.7Å; F452-Q536 HydrophobicContact CZ-CB 3.9Å; F452-M575 HydrophobicContact CD1-SD 4.3Å |
| 453 | P | 78.7 | Confident | 75.2 | Confident | 75 Ų | 75 | 70 Ų | 70 | 49% | 0.487 | 39% | 0.388 | S | S | . | . | trans | -78.6 | 26.1 | -175 | 34.2 | -37.9 | 0 | 0 | 0 | 113.7 | M575 | P453-M575 HydrophobicContact CG-CG 4.32Å; P453-M575 HydrophobicContact CG-SD 4.45Å | ||
| 454 | F | 83.8 | Confident | 72.7 | Confident | 5 Ų | 5 | 71.9 Ų | 71.9 | 2% | 0.022 | 41% | 0.408 | C | S | . | . | trans | -86.9 | 124.5 | -170.8 | -53.8 | -26.9 | 0 | 0 | 0 | 111.8 | F452 W456 L457 Q458 M514 M526 | F452-F454 HydrophobicContact CB-CD2 3.77Å; F452-F454 HydrophobicContact CB-CE2 3.73Å; F452-F454 HydrophobicContact CB-CG 4.23Å; F452-F454 HydrophobicContact CB-CZ 4.19Å; F452-F454 HydrophobicContact CD1-CE2 4.02Å; F452-F454 HydrophobicContact CD1-CZ 4.12Å; F452-F454 HydrophobicContact CG-CD2 4.37Å; F452-F454 AromaticContact CG-CE2 3.92Å; F452-F454 HydrophobicContact CG-CE2 3.92Å; F452-F454 HydrophobicContact CG-CZ 4.39Å; F452-F454 PolarHBondContact O-N 3.11Å; F454-W456 HydrophobicContact CB-CD2 4.03Å; F454-W456 HydrophobicContact CB-CE3 4.06Å; F454-W456 HydrophobicContact CB-CH2 3.68Å; F454-W456 HydrophobicContact CB-CZ2 3.64Å; F454-W456 HydrophobicContact CB-CZ3 3.89Å; F454-W456 HydrophobicContact CD1-CH2 4.29Å; F454-W456 HydrophobicContact CD2-CH2 4.17Å; F454-W456 AromaticContact CD2-CZ2 3.75Å; F454-W456 HydrophobicContact CD2-CZ2 3.75Å; F454-W456 AromaticContact CG-CH2 3.77Å; F454-W456 HydrophobicContact CG-CH2 3.77Å; F454-W456 AromaticContact CG-CZ2 3.77Å; F454-W456 HydrophobicContact CG-CZ2 3.77Å; F454-W456 HydrophobicContact CG-CZ3 4.4Å; F454-W456 PolarHBondContact O-N 2.72Å; F454-W456 VanDerWaalsContact O-N 3.09Å; F454-L457 HydrophobicContact CB-CD1 4.07Å; F454-L457 HydrophobicContact CB-CG 4.25Å; F454-L457 HydrophobicContact CD2-CD1 3.71Å; F454-L457 HydrophobicContact CG-CD1 4.38Å; F454-L457 PolarHBondContact O-N 2.86Å; F454-Q458 PolarHBondContact O-N 2.91Å; F454-M514 HydrophobicContact CD1-CE 3.53Å; F454-M514 HydrophobicContact CE1-CE 3.12Å; F454-M514 HydrophobicContact CZ-CE 3.9Å; F454-M526 HydrophobicContact CD2-CE 4.33Å; F454-M526 HydrophobicContact CE2-CE 3.52Å; F454-M526 HydrophobicContact CE2-SD 4.34Å; F454-M526 HydrophobicContact CZ-CE 4.39Å | ||
| 455 | P | 82 | Confident | 69.6 | Low | 105 Ų | 105 | 76 Ų | 76 | 68% | 0.682 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -31.7 | -172.7 | -28 | 34.5 | 0 | 0 | 0 | 115.3 | L457 | P455-L457 VanDerWaalsContact C-N 3.31Š|
| 456 | W | 86.1 | Confident | 66.6 | Low | 69 Ų | 69 | 80.8 Ų | 80.8 | 26% | 0.261 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -9.2 | -179.3 | 65.2 | 90 | 0 | 0 | 0 | 114 | F454 S519 M522 E523 M526 | F454-W456 HydrophobicContact CB-CD2 4.03Å; F454-W456 HydrophobicContact CB-CE3 4.06Å; F454-W456 HydrophobicContact CB-CH2 3.68Å; F454-W456 HydrophobicContact CB-CZ2 3.64Å; F454-W456 HydrophobicContact CB-CZ3 3.89Å; F454-W456 HydrophobicContact CD1-CH2 4.29Å; F454-W456 HydrophobicContact CD2-CH2 4.17Å; F454-W456 AromaticContact CD2-CZ2 3.75Å; F454-W456 HydrophobicContact CD2-CZ2 3.75Å; F454-W456 AromaticContact CG-CH2 3.77Å; F454-W456 HydrophobicContact CG-CH2 3.77Å; F454-W456 AromaticContact CG-CZ2 3.77Å; F454-W456 HydrophobicContact CG-CZ2 3.77Å; F454-W456 HydrophobicContact CG-CZ3 4.4Å; F454-W456 PolarHBondContact O-N 2.72Å; F454-W456 VanDerWaalsContact O-N 3.09Å; W456-S519 VanDerWaalsContact CZ3-OG 3.29Å; W456-S519 WeakPolarHBondContact CZ3-OG 3.32Å; W456-M522 HydrophobicContact CH2-CB 3.95Å; W456-M522 HydrophobicContact CZ2-CB 3.96Å; W456-E523 HydrophobicContact CD2-CB 4.29Å; W456-E523 HydrophobicContact CD2-CG 4.18Å; W456-E523 HydrophobicContact CG-CG 4.33Å; W456-E523 HydrophobicContact CH2-CB 4.24Å; W456-E523 HydrophobicContact CZ2-CB 3.85Å; W456-M526 PolarHBondContact NE1-O 2.87Å |
| 457 | L | 85.3 | Confident | 63.5 | Low | 3 Ų | 3 | 83.5 Ų | 83.5 | 2% | 0.016 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -19.7 | 177.3 | -62.2 | 178.9 | 0 | 0 | 0 | 113 | V450 F452 F454 P455 M526 N528 A532 | V450-L457 HydrophobicContact CG1-CB 4.1Å; V450-L457 HydrophobicContact CG1-CD1 4.18Å; F452-L457 HydrophobicContact CB-CD1 4.37Å; F454-L457 HydrophobicContact CB-CD1 4.07Å; F454-L457 HydrophobicContact CB-CG 4.25Å; F454-L457 HydrophobicContact CD2-CD1 3.71Å; F454-L457 HydrophobicContact CG-CD1 4.38Å; F454-L457 PolarHBondContact O-N 2.86Å; P455-L457 VanDerWaalsContact C-N 3.31Å; L457-M526 HydrophobicContact CD1-CB 4.47Å; L457-N528 VanDerWaalsContact CD2-C 3.45Å; L457-N528 WeakPolarHBondContact CD2-O 3.48Å; L457-A532 HydrophobicContact CD1-CB 3.59Å; L457-A532 HydrophobicContact CD2-CB 4.17Å; L457-A532 HydrophobicContact CG-CB 4.48Å |
| 458 | Q | 80.2 | Confident | 60.5 | Low | 91 Ų | 91 | 87.4 Ų | 87.4 | 43% | 0.425 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -78.3 | 133 | 178.1 | -63.7 | -61.8 | -33.4 | 0 | 0 | 109.2 | V450 F452 F454 Q460 | V450-Q458 PolarHBondContact O-NE2 2.79Å; F452-Q458 PolarHBondContact O-NE2 3.41Å; F454-Q458 PolarHBondContact O-N 2.91Å; Q458-Q460 PolarHBondContact O-N 2.6Å |
| 459 | E | 66 | Low | 57.8 | Low | 140 Ų | 140 | 85.8 Ų | 85.8 | 65% | 0.654 | 56% | 0.555 | S | S | * | * | trans | -59.3 | 126.2 | 173.5 | -91.4 | 176.1 | -171.8 | 0 | 0 | 109.3 | V461 R529 | E459-V461 PolarHBondContact O-N 3.08Å; E459-R529 IonicContact OE1-CZ 2.76Å; E459-R529 IonicContact OE1-NH1 2.66Å; E459-R529 PolarHBondContact OE1-NH1 3.14Å | ||
| 460 | Q | 44.6 | Very low | 55.1 | Low | 173 Ų | 173 | 83.8 Ų | 83.8 | 81% | 0.808 | 55% | 0.55 | S | S | * | . | trans | -65.2 | 103.3 | 163.7 | -74.3 | -166.8 | -13.8 | 0 | 0 | 106.8 | Q458 T462 | Q458-Q460 PolarHBondContact O-N 2.6Å; Q460-T462 PolarHBondContact O-N 2.95Å; Q460-T462 PolarHBondContact O-OG1 3.22Å | ||
| 461 | V | 39.9 | Very low | 52.4 | Low | 123 Ų | 123 | 90.1 Ų | 90.1 | 75% | 0.745 | 58% | 0.578 | S | S | * | * | trans | -65.8 | 89.9 | 169.7 | -177.8 | 0 | 0 | 0 | 0 | 107.6 | E459 T463 | E459-V461 PolarHBondContact O-N 3.08Å; V461-T463 VanDerWaalsContact C-N 3.33Å; V461-T463 PolarHBondContact O-N 2.95Å | ||
| 462 | T | 31.3 | Very low | 49.8 | Very low | 123 Ų | 123 | 92.9 Ų | 92.9 | 76% | 0.755 | 61% | 0.605 | S | S | * | * | trans | -86.1 | 70.9 | 166.9 | 27.4 | 0 | 0 | 0 | 0 | 109.4 | Q460 | Q460-T462 PolarHBondContact O-N 2.95Å; Q460-T462 PolarHBondContact O-OG1 3.22Å | ||
| 463 | T | 29.9 | Very low | 47 | Very low | 119 Ų | 119 | 95 Ų | 95 | 73% | 0.73 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -154.3 | 124.3 | 156 | 42.6 | 0 | 0 | 0 | 0 | 110.4 | V461 A465 | V461-T463 VanDerWaalsContact C-N 3.33Å; V461-T463 PolarHBondContact O-N 2.95Å; T463-A465 PolarHBondContact O-N 3.33Å |
| 464 | G | 30 | Very low | 44.6 | Very low | 87 Ų | 87 | 97 Ų | 97 | 90% | 0.897 | 63% | 0.629 | S | S | * | * | trans | -61.7 | 125 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 465 | A | 25.7 | Very low | 42.1 | Very low | 87 Ų | 87 | 99.8 Ų | 99.8 | 72% | 0.719 | 65% | 0.653 | S | S | * | * | trans | 179.4 | 116 | 138.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | T463 | T463-A465 PolarHBondContact O-N 3.33Š| ||
| 466 | S | 27.2 | Very low | 39.6 | Very low | 124 Ų | 124 | 97.7 Ų | 97.7 | 87% | 0.867 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 26.6 | 97.7 | 149.7 | 5.3 | 0 | 0 | 0 | 0 | 118.2 | ||
| 467 | A | 26.5 | Very low | 36.9 | Very low | 98 Ų | 98 | 98.3 Ų | 98.3 | 81% | 0.81 | 65% | 0.649 | S | S | * | * | 166 | 107.4 | 128.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 468 | A | 26.1 | Very low | 34.4 | Very low | 112 Ų | 112 | 101.7 Ų | 101.7 | 93% | 0.926 | 68% | 0.678 | S | S | * | * | trans | -70.3 | 128.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 469 | G | 29.9 | Very low | 32.1 | Very low | 82 Ų | 82 | 99.2 Ų | 99.2 | 85% | 0.845 | 67% | 0.673 | S | S | * | * | trans | 92.3 | 86.3 | 159 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 470 | S | 29.7 | Very low | 30.5 | Very low | 70 Ų | 70 | 94.8 Ų | 94.8 | 49% | 0.49 | 66% | 0.655 | S | S | . | * | trans | -151 | -25.9 | 157.8 | 57.6 | 0 | 0 | 0 | 0 | 116.1 | A472 A473 | S470-A472 PolarHBondContact O-N 3.42Å; S470-A473 PolarHBondContact O-N 3.14Å | ||
| 471 | H | 29 | Very low | 29.6 | Very low | 151 Ų | 151 | 91 Ų | 91 | 70% | 0.699 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -80.9 | -6.9 | -173.8 | -70 | -51.4 | 0 | 0 | 0 | 117.2 | A473 E474 | H471-A473 VanDerWaalsContact C-N 3.33Å; H471-E474 IonicContact CE1-OE2 3.79Å; H471-E474 PolarHBondContact CE1-OE2 2.91Å; H471-E474 IonicContact ND1-OE2 3.75Å; H471-E474 PolarHBondContact ND1-OE2 2.96Å |
| 472 | A | 28.4 | Very low | 29 | Very low | 94 Ų | 94 | 89.2 Ų | 89.2 | 78% | 0.777 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -80.9 | -13 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S470 | S470-A472 PolarHBondContact O-N 3.42Å |
| 473 | A | 27.4 | Very low | 28.6 | Very low | 63 Ų | 63 | 88.4 Ų | 88.4 | 52% | 0.521 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -100 | -25.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S470 H471 T476 T477 | S470-A473 PolarHBondContact O-N 3.14Å; H471-A473 VanDerWaalsContact C-N 3.33Å; A473-T476 WeakPolarHBondContact O-CB 3.49Å; A473-T476 PolarHBondContact O-N 3.38Å; A473-T476 VanDerWaalsContact O-N 3.17Å; A473-T477 PolarHBondContact O-N 3.3Å; A473-T477 PolarHBondContact O-OG1 2.85Å |
| 474 | E | 28.4 | Very low | 28.3 | Very low | 119 Ų | 119 | 86.6 Ų | 86.6 | 56% | 0.556 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -74.2 | -33 | -176.3 | -76.6 | 177.1 | 153.2 | 0 | 0 | 113.5 | H471 T476 T477 | H471-E474 IonicContact CE1-OE2 3.79Å; H471-E474 PolarHBondContact CE1-OE2 2.91Å; H471-E474 IonicContact ND1-OE2 3.75Å; H471-E474 PolarHBondContact ND1-OE2 2.96Å; E474-T476 PolarHBondContact O-N 3.45Å; E474-T476 VanDerWaalsContact O-N 3.15Å; E474-T477 PolarHBondContact O-N 3.07Å |
| 475 | A | 29.4 | Very low | 27.9 | Very low | 63 Ų | 63 | 86.2 Ų | 86.2 | 52% | 0.521 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -67.1 | -12.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V451 | V451-A475 HydrophobicContact CG1-CB 4.45Å |
| 476 | T | 30.9 | Very low | 27.9 | Very low | 61 Ų | 61 | 86.9 Ų | 86.9 | 37% | 0.374 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -99.7 | -23 | -178.3 | -45.1 | 0 | 0 | 0 | 0 | 113 | A473 E474 A478 A479 F577 | A473-T476 WeakPolarHBondContact O-CB 3.49Å; A473-T476 PolarHBondContact O-N 3.38Å; A473-T476 VanDerWaalsContact O-N 3.17Å; E474-T476 PolarHBondContact O-N 3.45Å; E474-T476 VanDerWaalsContact O-N 3.15Å; T476-A478 VanDerWaalsContact C-N 3.3Å; T476-A478 PolarHBondContact O-N 3.36Å; T476-A479 PolarHBondContact O-N 3.07Å; T476-F577 HydrophobicContact CG2-CE1 4.33Å; T476-F577 HydrophobicContact CG2-CE2 4.26Å; T476-F577 HydrophobicContact CG2-CZ 3.5Å |
| 477 | T | 29 | Very low | 27.7 | Very low | 81 Ų | 81 | 87.4 Ų | 87.4 | 50% | 0.497 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -74 | -20.4 | -180 | -9.7 | 0 | 0 | 0 | 0 | 113 | A473 E474 A479 T480 | A473-T477 PolarHBondContact O-N 3.3Å; A473-T477 PolarHBondContact O-OG1 2.85Å; E474-T477 PolarHBondContact O-N 3.07Å; T477-A479 PolarHBondContact O-N 2.92Å; T477-A479 VanDerWaalsContact O-N 3.13Å; T477-T480 PolarHBondContact O-N 3.36Å |
| 478 | A | 32.6 | Very low | 27.8 | Very low | 74 Ų | 74 | 90 Ų | 90 | 61% | 0.612 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -13 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | T476 | T476-A478 VanDerWaalsContact C-N 3.3Å; T476-A478 PolarHBondContact O-N 3.36Å |
| 479 | A | 31.6 | Very low | 28 | Very low | 39 Ų | 39 | 90 Ų | 90 | 32% | 0.322 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.2 | -18.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K425 T476 T477 | K425-A479 PolarHBondContact NZ-O 3.2Å; T476-A479 PolarHBondContact O-N 3.07Å; T477-A479 PolarHBondContact O-N 2.92Å; T477-A479 VanDerWaalsContact O-N 3.13Å |
| 480 | T | 32.1 | Very low | 28.3 | Very low | 47 Ų | 47 | 90.2 Ų | 90.2 | 29% | 0.288 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -138.7 | 105.5 | -171 | 51.3 | 0 | 0 | 0 | 0 | 110.3 | T477 A482 Y501 | T477-T480 PolarHBondContact O-N 3.36Å; T480-A482 PolarHBondContact O-N 2.71Å; T480-Y501 HydrophobicContact CG2-CD1 4.15Å; T480-Y501 HydrophobicContact CG2-CE1 3.74Å |
| 481 | G | 26.8 | Very low | 28.7 | Very low | 94 Ų | 94 | 91.2 Ų | 91.2 | 97% | 0.969 | 68% | 0.678 | S | S | * | * | trans | -61 | 101.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 482 | A | 26.3 | Very low | 29.7 | Very low | 86 Ų | 86 | 90.7 Ų | 90.7 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | trans | -129.3 | 117.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | T480 | T480-A482 PolarHBondContact O-N 2.71Š| ||
| 483 | A | 23.4 | Very low | 31 | Very low | 105 Ų | 105 | 88.9 Ų | 88.9 | 87% | 0.868 | 67% | 0.67 | S | S | * | * | trans | -74.7 | 136.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 484 | G | 23.2 | Very low | 33.2 | Very low | 82 Ų | 82 | 89.2 Ų | 89.2 | 85% | 0.845 | 67% | 0.673 | S | S | * | * | trans | 78.9 | 121.4 | 136.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 485 | G | 21.6 | Very low | 35.7 | Very low | 78 Ų | 78 | 86.4 Ų | 86.4 | 80% | 0.804 | 66% | 0.664 | S | S | * | * | trans | 112.3 | 128 | 133.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 486 | A | 25.2 | Very low | 38.1 | Very low | 101 Ų | 101 | 87.4 Ų | 87.4 | 84% | 0.835 | 66% | 0.658 | S | S | * | * | trans | 76.5 | 108.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 119 | D488 | A486-D488 PolarHBondContact O-N 3.46Š| ||
| 487 | T | 24.9 | Very low | 40.7 | Very low | 135 Ų | 135 | 90 Ų | 90 | 83% | 0.828 | 66% | 0.664 | S | S | * | * | trans | -48.8 | 110.2 | 152.8 | 45.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 488 | D | 27 | Very low | 43.2 | Very low | 154 Ų | 154 | 87.2 Ų | 87.2 | 82% | 0.824 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -155.4 | 151 | 143.5 | -93.6 | -33.5 | 0 | 0 | 0 | 106.2 | A486 A490 | A486-D488 PolarHBondContact O-N 3.46Å; D488-A490 PolarHBondContact O-N 2.72Å |
| 489 | A | 32 | Very low | 45.6 | Very low | 110 Ų | 110 | 90 Ų | 90 | 91% | 0.909 | 65% | 0.65 | S | S | * | * | trans | -60 | 81.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | A491 | A489-A491 PolarHBondContact O-N 2.95Š| ||
| 490 | A | 34.9 | Very low | 47.9 | Very low | 88 Ų | 88 | 92.4 Ų | 92.4 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | trans | -65.6 | 112 | -175.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | D488 T492 | D488-A490 PolarHBondContact O-N 2.72Å; A490-T492 PolarHBondContact O-N 3.32Å | ||
| 491 | A | 38.9 | Very low | 50.2 | Low | 90 Ų | 90 | 95.9 Ų | 95.9 | 74% | 0.744 | 67% | 0.673 | S | S | * | * | trans | -39.4 | 118 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | A489 A493 | A489-A491 PolarHBondContact O-N 2.95Å; A491-A493 PolarHBondContact O-N 3.23Å | ||
| 492 | T | 48.7 | Very low | 52.5 | Low | 140 Ų | 140 | 93.5 Ų | 93.5 | 86% | 0.859 | 64% | 0.644 | S | S | * | * | trans | -45.6 | 104.3 | -177.1 | -44.9 | 0 | 0 | 0 | 0 | 108.1 | A490 A494 | A490-T492 PolarHBondContact O-N 3.32Å; T492-A494 PolarHBondContact O-N 3.47Å; T492-A494 VanDerWaalsContact O-N 3.15Å | ||
| 493 | A | 57.3 | Low | 54.8 | Low | 56 Ų | 56 | 99.7 Ų | 99.7 | 46% | 0.463 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -58.1 | 127 | -172.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | A491 T495 | A491-A493 PolarHBondContact O-N 3.23Å; A493-T495 PolarHBondContact O-N 2.91Å |
| 494 | A | 73.2 | Confident | 57.2 | Low | 71 Ų | 71 | 98.4 Ų | 98.4 | 59% | 0.587 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 133.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | T492 H496 | T492-A494 PolarHBondContact O-N 3.47Å; T492-A494 VanDerWaalsContact O-N 3.15Å; A494-H496 PolarHBondContact O-CD2 3.37Å |
| 495 | T | 81.5 | Confident | 59.8 | Low | 59 Ų | 59 | 99 Ų | 99 | 36% | 0.362 | 63% | 0.633 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.2 | 129.6 | 177.6 | 55.7 | 0 | 0 | 0 | 0 | 109.8 | A493 N506 | A493-T495 PolarHBondContact O-N 2.91Å; T495-N506 CarbonylContact C-O 3.58Å; T495-N506 WeakPolarHBondContact CA-O 3.37Å; T495-N506 HydrophobicContact CG2-CB 4.46Å |
| 496 | H | 80 | Confident | 62.6 | Low | 85 Ų | 85 | 99 Ų | 99 | 39% | 0.394 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.9 | 130.6 | -177.9 | -72.8 | -97.2 | 0 | 0 | 0 | 111 | A494 E505 N506 M508 | A494-H496 PolarHBondContact O-CD2 3.37Å; H496-E505 HydrophobicContact CB-CB 4.37Å; H496-E505 VanDerWaalsContact CB-OE2 3.26Å; H496-E505 WeakPolarHBondContact CB-OE2 3.4Å; H496-E505 IonicContact CD2-OE2 2.75Å; H496-E505 IonicContact CG-OE2 3.97Å; H496-E505 VanDerWaalsContact CG-OE2 3.26Å; H496-E505 IonicContact ND1-OE1 3.98Å; H496-E505 IonicContact ND1-OE2 3.41Å; H496-N506 PolarHBondContact N-O 2.83Å; H496-M508 WeakPolarHBondContact O-CB 3.46Å; H496-M508 PolarHBondContact O-N 3.25Å |
| 497 | F | 84.9 | Confident | 65.4 | Low | 115 Ų | 115 | 95.5 Ų | 95.5 | 50% | 0.504 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -71.5 | 127.3 | 168.9 | 173.3 | -94.9 | 0 | 0 | 0 | 109.4 | F499 M508 W578 | F497-F499 HydrophobicContact CE1-CE2 4.49Å; F497-F499 HydrophobicContact CE1-CZ 4.39Å; F497-F499 HydrophobicContact CE2-CE1 4.42Å; F497-F499 AromaticContact CZ-CE1 3.94Å; F497-F499 HydrophobicContact CZ-CE1 3.94Å; F497-F499 HydrophobicContact CZ-CE2 4.2Å; F497-F499 AromaticContact CZ-CZ 3.67Å; F497-F499 HydrophobicContact CZ-CZ 3.67Å; F497-M508 HydrophobicContact CB-CE 4.15Å; F497-M508 HydrophobicContact CB-SD 3.95Å; F497-M508 HydrophobicContact CD2-SD 4.4Å; F497-W578 HydrophobicContact CD2-CB 4.14Å; F497-W578 AromaticContact CD2-CD1 3.85Å; F497-W578 HydrophobicContact CD2-CD2 4.08Å; F497-W578 AromaticContact CD2-CG 3.76Å; F497-W578 HydrophobicContact CD2-CG 3.76Å; F497-W578 HydrophobicContact CE2-CB 4.14Å; F497-W578 AromaticContact CE2-CD2 3.62Å; F497-W578 HydrophobicContact CE2-CD2 3.62Å; F497-W578 AromaticContact CE2-CE3 3.91Å; F497-W578 HydrophobicContact CE2-CE3 3.91Å; F497-W578 AromaticContact CE2-CG 3.73Å; F497-W578 HydrophobicContact CE2-CG 3.73Å |
| 498 | G | 81.6 | Confident | 68.3 | Low | 22 Ų | 22 | 91.5 Ų | 91.5 | 23% | 0.227 | 56% | 0.556 | C | S | . | * | trans | -168.5 | 154.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | W578 V579 | G498-W578 CarbonylContact O-C 3.48Å; G498-V579 WeakPolarHBondContact O-CA 3.36Å; G498-V579 PolarHBondContact O-N 2.93Å; G498-V579 VanDerWaalsContact O-N 3.15Å | ||
| 499 | F | 83.4 | Confident | 71.2 | Confident | 134 Ų | 134 | 85.2 Ų | 85.2 | 59% | 0.588 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -93.2 | 3.4 | 172 | -60.8 | -52.1 | 0 | 0 | 0 | 112.9 | F497 W578 I581 | F497-F499 HydrophobicContact CE1-CE2 4.49Å; F497-F499 HydrophobicContact CE1-CZ 4.39Å; F497-F499 HydrophobicContact CE2-CE1 4.42Å; F497-F499 AromaticContact CZ-CE1 3.94Å; F497-F499 HydrophobicContact CZ-CE1 3.94Å; F497-F499 HydrophobicContact CZ-CE2 4.2Å; F497-F499 AromaticContact CZ-CZ 3.67Å; F497-F499 HydrophobicContact CZ-CZ 3.67Å; F499-W578 HydrophobicContact CE1-CE3 4.22Å; F499-I581 HydrophobicContact CD1-CG2 3.85Å; F499-I581 HydrophobicContact CE1-CG2 3.89Å |
| 500 | S | 79.8 | Confident | 73.8 | Confident | 89 Ų | 89 | 81.3 Ų | 81.3 | 62% | 0.622 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -138.2 | 154.6 | 177.8 | 56 | 0 | 0 | 0 | 0 | 110.2 | A502 V579 | S500-A502 PolarHBondContact O-N 2.96Å; S500-V579 VanDerWaalsContact C-CG2 3.45Å |
| 501 | Y | 78.8 | Confident | 76.2 | Confident | 120 Ų | 120 | 81.4 Ų | 81.4 | 47% | 0.471 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -72 | 125.7 | 170.1 | -69.6 | -83.2 | 0 | 0 | 0 | 109.6 | T480 P507 V579 N580 | T480-Y501 HydrophobicContact CG2-CD1 4.15Å; T480-Y501 HydrophobicContact CG2-CE1 3.74Å; Y501-P507 HydrophobicContact CE1-CG 4.38Å; Y501-V579 HydrophobicContact CD1-CG1 4.42Å; Y501-V579 HydrophobicContact CD1-CG2 4.39Å; Y501-V579 HydrophobicContact CD2-CG2 3.53Å; Y501-V579 HydrophobicContact CE1-CG1 3.83Å; Y501-V579 HydrophobicContact CE1-CG2 4.4Å; Y501-V579 HydrophobicContact CE2-CB 4.45Å; Y501-V579 HydrophobicContact CE2-CG1 4.03Å; Y501-V579 HydrophobicContact CE2-CG2 3.52Å; Y501-V579 HydrophobicContact CG-CG2 3.98Å; Y501-N580 PolarHBondContact OH-ND2 2.87Å; Y501-N580 PolarHBondContact OH-OD1 3.48Å |
| 502 | A | 75.8 | Confident | 78.2 | Confident | 43 Ų | 43 | 84.5 Ų | 84.5 | 36% | 0.355 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -98.9 | 133.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109 | S500 G504 E505 | S500-A502 PolarHBondContact O-N 2.96Å; A502-G504 PolarHBondContact O-N 3.01Å; A502-E505 HydrophobicContact CB-CB 4.12Å; A502-E505 HydrophobicContact CB-CG 4.09Å; A502-E505 WeakPolarHBondContact CB-OE2 3.44Å; A502-E505 PolarHBondContact O-N 3.36Å |
| 503 | F | 74.3 | Confident | 79.6 | Confident | 217 Ų | 217 | 86.1 Ų | 86.1 | 95% | 0.952 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 122.4 | -177 | -176.1 | -94.5 | 0 | 0 | 0 | 110.3 | ||
| 504 | G | 75 | Confident | 80.9 | Confident | 78 Ų | 78 | 85.5 Ų | 85.5 | 80% | 0.804 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | -0.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | A502 | A502-G504 PolarHBondContact O-N 3.01Š|
| 505 | E | 76.3 | Confident | 81.5 | Confident | 93 Ų | 93 | 83.5 Ų | 83.5 | 44% | 0.435 | 44% | 0.436 | S | S | . | . | trans | -106.9 | 144.7 | 176.6 | -62.9 | -175.5 | 177.9 | 0 | 0 | 112 | H496 A502 | H496-E505 HydrophobicContact CB-CB 4.37Å; H496-E505 VanDerWaalsContact CB-OE2 3.26Å; H496-E505 WeakPolarHBondContact CB-OE2 3.4Å; H496-E505 IonicContact CD2-OE2 2.75Å; H496-E505 IonicContact CG-OE2 3.97Å; H496-E505 VanDerWaalsContact CG-OE2 3.26Å; H496-E505 IonicContact ND1-OE1 3.98Å; H496-E505 IonicContact ND1-OE2 3.41Å; A502-E505 HydrophobicContact CB-CB 4.12Å; A502-E505 HydrophobicContact CB-CG 4.09Å; A502-E505 WeakPolarHBondContact CB-OE2 3.44Å; A502-E505 PolarHBondContact O-N 3.36Å | ||
| 506 | N | 80.5 | Confident | 81.6 | Confident | 79 Ų | 79 | 87.6 Ų | 87.6 | 42% | 0.422 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 127.6 | 174.6 | -72.8 | -30.2 | 0 | 0 | 0 | 110.6 | T495 H496 | T495-N506 CarbonylContact C-O 3.58Å; T495-N506 WeakPolarHBondContact CA-O 3.37Å; T495-N506 HydrophobicContact CG2-CB 4.46Å; H496-N506 PolarHBondContact N-O 2.83Å |
| 507 | P | 84.1 | Confident | 82 | Confident | 27 Ų | 27 | 90.6 Ų | 90.6 | 18% | 0.175 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 141.5 | -179.7 | 28.5 | -34.5 | 0 | 0 | 0 | 111.8 | Y501 F577 V579 | Y501-P507 HydrophobicContact CE1-CG 4.38Å; P507-F577 HydrophobicContact CB-CB 4.09Å; P507-F577 HydrophobicContact CB-CD1 3.9Å; P507-F577 HydrophobicContact CB-CG 4.1Å; P507-F577 HydrophobicContact CG-CD1 3.78Å; P507-F577 HydrophobicContact CG-CE1 4.15Å; P507-F577 HydrophobicContact CG-CG 4.03Å; P507-F577 VanDerWaalsContact O-CD1 3.29Å; P507-F577 WeakPolarHBondContact O-CD1 3.5Å; P507-V579 HydrophobicContact CB-CG1 4.03Å |
| 508 | M | 86.7 | Confident | 82.1 | Confident | 52 Ų | 52 | 85.6 Ų | 85.6 | 26% | 0.256 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -74 | 128.2 | 176.1 | -176.3 | -177.9 | -78.8 | 0 | 0 | 112.3 | H496 F497 F577 W578 | H496-M508 WeakPolarHBondContact O-CB 3.46Å; H496-M508 PolarHBondContact O-N 3.25Å; F497-M508 HydrophobicContact CB-CE 4.15Å; F497-M508 HydrophobicContact CB-SD 3.95Å; F497-M508 HydrophobicContact CD2-SD 4.4Å; M508-F577 WeakPolarHBondContact O-CA 3.17Å; M508-W578 PolarHBondContact O-N 3.4Å |
| 509 | P | 87.9 | Confident | 82.4 | Confident | 22 Ų | 22 | 85.6 Ų | 85.6 | 14% | 0.143 | 43% | 0.433 | C | S | . | . | B | Isolated β-bridge | trans | -67.7 | 151 | 172.6 | 29.7 | -34.6 | 0 | 0 | 0 | 110.6 | F511 F576 F577 | P509-F511 VanDerWaalsContact C-N 3.34Å; P509-F576 WeakPolarHBondContact CA-O 3.19Å; P509-F577 HydrophobicContact CB-CD1 4.3Å; P509-F577 HydrophobicContact CB-CE1 4.29Å |
| 510 | V | 86.7 | Confident | 82.5 | Confident | 27 Ų | 27 | 82.5 Ų | 82.5 | 16% | 0.164 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -66.6 | -39.3 | 178.6 | 179.5 | 0 | 0 | 0 | 0 | 111.2 | C571 F576 W578 | V510-C571 HydrophobicContact CB-CB 4.13Å; V510-C571 HydrophobicContact CG1-CB 4.14Å; V510-F576 HydrophobicContact CG2-CD1 4.29Å; V510-F576 PolarHBondContact N-O 2.68Å; V510-W578 HydrophobicContact CG1-CZ2 4.16Å; V510-W578 HydrophobicContact CG2-CD2 4.23Å; V510-W578 HydrophobicContact CG2-CG 4.33Å |
| 511 | F | 84.8 | Confident | 82.8 | Confident | 90 Ų | 90 | 81.8 Ų | 81.8 | 40% | 0.395 | 41% | 0.411 | S | S | . | . | trans | -125.4 | 125.8 | 169.3 | -70.1 | -88 | 0 | 0 | 0 | 109.2 | P509 K513 C571 L572 G574 | P509-F511 VanDerWaalsContact C-N 3.34Å; F511-K513 VanDerWaalsContact C-N 3.34Å; F511-C571 HydrophobicContact CD2-CB 4.16Å; F511-C571 WeakPolarHBondContact CD2-O 3.45Å; F511-C571 HydrophobicContact CE2-CB 4.37Å; F511-L572 HydrophobicContact CD2-CD2 4.37Å; F511-L572 HydrophobicContact CE2-CD2 3.99Å; F511-L572 HydrophobicContact CZ-CD2 4.23Å; F511-G574 WeakPolarHBondContact O-CA 3.43Å | ||
| 512 | E | 80.2 | Confident | 83.1 | Confident | 156 Ų | 156 | 76.7 Ų | 76.7 | 73% | 0.729 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -68.9 | -32.9 | 178 | -66 | 179.6 | 178.7 | 0 | 0 | 112.9 | ||
| 513 | K | 78.9 | Confident | 83.6 | Confident | 174 Ų | 174 | 79.2 Ų | 79.2 | 76% | 0.757 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -134.8 | 142 | -179.7 | -66.9 | -177.6 | -178.4 | 176.3 | 0 | 110.2 | F511 P515 | F511-K513 VanDerWaalsContact C-N 3.34Å; K513-P515 WeakPolarHBondContact O-CD 3.23Å |
| 514 | M | 84 | Confident | 84.2 | Confident | 43 Ų | 43 | 77.3 Ų | 77.3 | 21% | 0.212 | 39% | 0.388 | C | S | . | . | trans | -61.2 | 127.5 | 174.5 | -173.7 | -176.5 | -74.6 | 0 | 0 | 110.7 | F454 H516 F518 S519 M522 L572 | F454-M514 HydrophobicContact CD1-CE 3.53Å; F454-M514 HydrophobicContact CE1-CE 3.12Å; F454-M514 HydrophobicContact CZ-CE 3.9Å; M514-H516 PolarHBondContact O-N 2.83Å; M514-F518 HydrophobicContact CE-CD1 4.11Å; M514-F518 HydrophobicContact CE-CE1 4.13Å; M514-F518 HydrophobicContact CG-CB 4.44Å; M514-F518 HydrophobicContact CG-CD1 3.64Å; M514-F518 HydrophobicContact CG-CE1 4.46Å; M514-F518 HydrophobicContact SD-CD1 3.8Å; M514-F518 HydrophobicContact SD-CE1 4.39Å; M514-S519 WeakPolarHBondContact SD-CA 3.45Å; M514-M522 HydrophobicContact CE-CG 4.07Å; M514-M522 HydrophobicContact SD-CB 4.49Å; M514-M522 HydrophobicContact SD-CG 4.26Å; M514-L572 WeakPolarHBondContact CA-O 3.46Å; M514-L572 WeakPolarHBondContact CG-O 3.35Å | ||
| 515 | P | 87.4 | Confident | 84.5 | Confident | 28 Ų | 28 | 78.4 Ų | 78.4 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | trans | -60.5 | 138 | 174.2 | -24.8 | 35.4 | 0 | 0 | 0 | 111.7 | K513 W517 F518 S519 L572 | K513-P515 WeakPolarHBondContact O-CD 3.23Å; P515-W517 VanDerWaalsContact C-N 3.3Å; P515-W517 HydrophobicContact CB-CG 4.5Å; P515-W517 PolarHBondContact O-N 2.97Å; P515-F518 HydrophobicContact CB-CB 4.34Å; P515-F518 WeakPolarHBondContact O-CA 3.35Å; P515-F518 WeakPolarHBondContact O-CB 3.43Å; P515-F518 PolarHBondContact O-N 2.83Å; P515-S519 PolarHBondContact O-N 2.85Å; P515-L572 WeakPolarHBondContact CD-O 3.41Å; P515-L572 HydrophobicContact CG-CD2 4.05Å | ||
| 516 | H | 82 | Confident | 85 | Confident | 145 Ų | 145 | 74.6 Ų | 74.6 | 67% | 0.671 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -59.1 | -37.1 | -173.2 | -168.5 | 64.6 | 0 | 0 | 0 | 113.7 | M514 F518 S519 N520 | M514-H516 PolarHBondContact O-N 2.83Å; H516-F518 VanDerWaalsContact C-N 3.27Å; H516-F518 PolarHBondContact O-N 2.93Å; H516-S519 WeakPolarHBondContact O-CB 3.39Å; H516-S519 PolarHBondContact O-N 2.98Å; H516-N520 PolarHBondContact O-N 3.22Å; H516-N520 VanDerWaalsContact O-N 3.16Å; H516-N520 PolarHBondContact O-ND2 3.25Å |
| 517 | W | 89.5 | Confident | 85.2 | Confident | 148 Ų | 148 | 74.4 Ų | 74.4 | 56% | 0.561 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.6 | -34.1 | 175.4 | 67.2 | -94.8 | 0 | 0 | 0 | 112.5 | P515 I521 L572 | P515-W517 VanDerWaalsContact C-N 3.3Å; P515-W517 HydrophobicContact CB-CG 4.5Å; P515-W517 PolarHBondContact O-N 2.97Å; W517-I521 HydrophobicContact CE3-CD1 3.75Å; W517-I521 HydrophobicContact CZ3-CD1 3.78Å; W517-I521 WeakPolarHBondContact O-CG1 3.34Å; W517-L572 HydrophobicContact CH2-CD1 3.98Å; W517-L572 HydrophobicContact CZ2-CD1 4.3Å; W517-L572 HydrophobicContact CZ2-CD2 4.29Å |
| 518 | F | 87 | Confident | 85.3 | Confident | 10 Ų | 10 | 76.5 Ų | 76.5 | 4% | 0.044 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -79.1 | -36.1 | 178.8 | -174.6 | -101.1 | 0 | 0 | 0 | 111.1 | M514 P515 H516 N520 I521 M522 V569 L572 S573 | M514-F518 HydrophobicContact CE-CD1 4.11Å; M514-F518 HydrophobicContact CE-CE1 4.13Å; M514-F518 HydrophobicContact CG-CB 4.44Å; M514-F518 HydrophobicContact CG-CD1 3.64Å; M514-F518 HydrophobicContact CG-CE1 4.46Å; M514-F518 HydrophobicContact SD-CD1 3.8Å; M514-F518 HydrophobicContact SD-CE1 4.39Å; P515-F518 HydrophobicContact CB-CB 4.34Å; P515-F518 WeakPolarHBondContact O-CA 3.35Å; P515-F518 WeakPolarHBondContact O-CB 3.43Å; P515-F518 PolarHBondContact O-N 2.83Å; H516-F518 VanDerWaalsContact C-N 3.27Å; H516-F518 PolarHBondContact O-N 2.93Å; F518-N520 VanDerWaalsContact C-N 3.28Å; F518-N520 PolarHBondContact O-N 2.84Å; F518-I521 WeakPolarHBondContact O-CA 3.49Å; F518-I521 WeakPolarHBondContact O-CB 3.43Å; F518-I521 PolarHBondContact O-N 2.69Å; F518-M522 HydrophobicContact CD1-CG 3.87Å; F518-M522 HydrophobicContact CD2-CE 4.46Å; F518-M522 HydrophobicContact CE1-CE 3.96Å; F518-M522 HydrophobicContact CE1-CG 3.53Å; F518-M522 HydrophobicContact CE1-SD 3.97Å; F518-M522 HydrophobicContact CE2-CE 3.66Å; F518-M522 HydrophobicContact CZ-CE 3.37Å; F518-M522 HydrophobicContact CZ-CG 4Å; F518-M522 HydrophobicContact CZ-SD 3.92Å; F518-M522 PolarHBondContact O-N 3.1Å; F518-V569 HydrophobicContact CZ-CG1 4.19Å; F518-V569 HydrophobicContact CZ-CG2 4.5Å; F518-L572 HydrophobicContact CD1-CB 3.85Å; F518-L572 HydrophobicContact CD2-CB 4.21Å; F518-L572 HydrophobicContact CD2-CD1 3.79Å; F518-L572 HydrophobicContact CE1-CB 3.73Å; F518-L572 HydrophobicContact CE2-CB 4.1Å; F518-L572 HydrophobicContact CE2-CD1 3.79Å; F518-L572 HydrophobicContact CG-CB 4.06Å; F518-L572 HydrophobicContact CG-CD1 4.33Å; F518-L572 HydrophobicContact CZ-CB 3.84Å; F518-L572 HydrophobicContact CZ-CD1 4.33Å; F518-S573 WeakPolarHBondContact CE1-OG 3.44Å |
| 519 | S | 86.4 | Confident | 85.2 | Confident | 23 Ų | 23 | 78.4 Ų | 78.4 | 16% | 0.161 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -54 | -44.3 | 170.1 | -171.5 | 0 | 0 | 0 | 0 | 112 | W456 M514 P515 H516 I521 M522 E523 | W456-S519 VanDerWaalsContact CZ3-OG 3.29Å; W456-S519 WeakPolarHBondContact CZ3-OG 3.32Å; M514-S519 WeakPolarHBondContact SD-CA 3.45Å; P515-S519 PolarHBondContact O-N 2.85Å; H516-S519 WeakPolarHBondContact O-CB 3.39Å; H516-S519 PolarHBondContact O-N 2.98Å; S519-I521 VanDerWaalsContact C-N 3.26Å; S519-I521 PolarHBondContact O-N 2.89Å; S519-M522 PolarHBondContact O-N 3.42Å; S519-E523 WeakPolarHBondContact O-CB 2.99Å; S519-E523 PolarHBondContact O-N 2.98Å |
| 520 | N | 86.3 | Confident | 85.2 | Confident | 68 Ų | 68 | 83.3 Ų | 83.3 | 36% | 0.364 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.4 | -32.7 | 176.6 | -67.3 | -28.6 | 0 | 0 | 0 | 112.9 | H516 F518 F524 | H516-N520 PolarHBondContact O-N 3.22Å; H516-N520 VanDerWaalsContact O-N 3.16Å; H516-N520 PolarHBondContact O-ND2 3.25Å; F518-N520 VanDerWaalsContact C-N 3.28Å; F518-N520 PolarHBondContact O-N 2.84Å; N520-F524 WeakPolarHBondContact O-CB 3.34Å; N520-F524 PolarHBondContact O-N 2.67Å |
| 521 | I | 86.6 | Confident | 85.2 | Confident | 74 Ų | 74 | 84.1 Ų | 84.1 | 38% | 0.379 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -73.5 | -44.7 | 176.4 | -63.8 | 169.3 | 0 | 0 | 0 | 110.1 | W517 F518 S519 F524 M525 | W517-I521 HydrophobicContact CE3-CD1 3.75Å; W517-I521 HydrophobicContact CZ3-CD1 3.78Å; W517-I521 WeakPolarHBondContact O-CG1 3.34Å; F518-I521 WeakPolarHBondContact O-CA 3.49Å; F518-I521 WeakPolarHBondContact O-CB 3.43Å; F518-I521 PolarHBondContact O-N 2.69Å; S519-I521 VanDerWaalsContact C-N 3.26Å; S519-I521 PolarHBondContact O-N 2.89Å; I521-F524 WeakPolarHBondContact O-CB 3.35Å; I521-F524 PolarHBondContact O-N 3.32Å; I521-M525 HydrophobicContact CG2-SD 4.11Å; I521-M525 WeakPolarHBondContact O-CG 3.04Å; I521-M525 PolarHBondContact O-N 3.22Å |
| 522 | M | 85.6 | Confident | 85.3 | Confident | 14 Ų | 14 | 79.8 Ų | 79.8 | 7% | 0.069 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 178.1 | -69.3 | -63.7 | 113.8 | 0 | 0 | 111.7 | W456 M514 F518 S519 F524 M525 M526 | W456-M522 HydrophobicContact CH2-CB 3.95Å; W456-M522 HydrophobicContact CZ2-CB 3.96Å; M514-M522 HydrophobicContact CE-CG 4.07Å; M514-M522 HydrophobicContact SD-CB 4.49Å; M514-M522 HydrophobicContact SD-CG 4.26Å; F518-M522 HydrophobicContact CD1-CG 3.87Å; F518-M522 HydrophobicContact CD2-CE 4.46Å; F518-M522 HydrophobicContact CE1-CE 3.96Å; F518-M522 HydrophobicContact CE1-CG 3.53Å; F518-M522 HydrophobicContact CE1-SD 3.97Å; F518-M522 HydrophobicContact CE2-CE 3.66Å; F518-M522 HydrophobicContact CZ-CE 3.37Å; F518-M522 HydrophobicContact CZ-CG 4Å; F518-M522 HydrophobicContact CZ-SD 3.92Å; F518-M522 PolarHBondContact O-N 3.1Å; S519-M522 PolarHBondContact O-N 3.42Å; M522-F524 VanDerWaalsContact C-N 3.33Å; M522-F524 PolarHBondContact O-N 2.9Å; M522-M525 HydrophobicContact CE-SD 3.95Å; M522-M525 PolarHBondContact O-N 3.31Å; M522-M526 PolarHBondContact O-N 3.23Å; M522-M526 HydrophobicContact SD-CE 4Å |
| 523 | E | 85.8 | Confident | 85.8 | Confident | 95 Ų | 95 | 73.4 Ų | 73.4 | 44% | 0.444 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.1 | -38.5 | 174.6 | -171.2 | -174.2 | 165.8 | 0 | 0 | 111.4 | W456 S519 M526 P527 | W456-E523 HydrophobicContact CD2-CB 4.29Å; W456-E523 HydrophobicContact CD2-CG 4.18Å; W456-E523 HydrophobicContact CG-CG 4.33Å; W456-E523 HydrophobicContact CH2-CB 4.24Å; W456-E523 HydrophobicContact CZ2-CB 3.85Å; S519-E523 WeakPolarHBondContact O-CB 2.99Å; S519-E523 PolarHBondContact O-N 2.98Å; E523-M526 CarbonylContact O-C 3.59Å; E523-M526 VanDerWaalsContact O-C 3.31Å; E523-P527 WeakPolarHBondContact O-CA 3.48Å; E523-P527 VanDerWaalsContact O-N 3.14Å |
| 524 | F | 85.9 | Confident | 86.3 | Confident | 177 Ų | 177 | 71 Ų | 71 | 78% | 0.776 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.2 | -41 | 173.3 | 175.3 | -98.2 | 0 | 0 | 0 | 112.6 | N520 I521 M522 | N520-F524 WeakPolarHBondContact O-CB 3.34Å; N520-F524 PolarHBondContact O-N 2.67Å; I521-F524 WeakPolarHBondContact O-CB 3.35Å; I521-F524 PolarHBondContact O-N 3.32Å; M522-F524 VanDerWaalsContact C-N 3.33Å; M522-F524 PolarHBondContact O-N 2.9Å |
| 525 | M | 82.2 | Confident | 86.5 | Confident | 101 Ų | 101 | 71.8 Ų | 71.8 | 50% | 0.498 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -74.7 | -35.8 | 179.5 | -72.3 | -179 | 62.7 | 0 | 0 | 113.1 | I521 M522 V531 | I521-M525 HydrophobicContact CG2-SD 4.11Å; I521-M525 WeakPolarHBondContact O-CG 3.04Å; I521-M525 PolarHBondContact O-N 3.22Å; M522-M525 HydrophobicContact CE-SD 3.95Å; M522-M525 PolarHBondContact O-N 3.31Å; M525-V531 WeakPolarHBondContact O-CG1 3.33Å |
| 526 | M | 85.7 | Confident | 86.7 | Confident | 13 Ų | 13 | 70.4 Ų | 70.4 | 6% | 0.064 | 34% | 0.339 | C | S | . | . | trans | -128.2 | 76.1 | -179.9 | -73.1 | 174.3 | -77.1 | 0 | 0 | 109.7 | F452 F454 W456 L457 M522 E523 N528 V531 A532 M535 | F452-M526 HydrophobicContact CD2-SD 4.04Å; F452-M526 HydrophobicContact CE2-SD 3.79Å; F452-M526 HydrophobicContact CZ-SD 4.22Å; F454-M526 HydrophobicContact CD2-CE 4.33Å; F454-M526 HydrophobicContact CE2-CE 3.52Å; F454-M526 HydrophobicContact CE2-SD 4.34Å; F454-M526 HydrophobicContact CZ-CE 4.39Å; W456-M526 PolarHBondContact NE1-O 2.87Å; L457-M526 HydrophobicContact CD1-CB 4.47Å; M522-M526 PolarHBondContact O-N 3.23Å; M522-M526 HydrophobicContact SD-CE 4Å; E523-M526 CarbonylContact O-C 3.59Å; E523-M526 VanDerWaalsContact O-C 3.31Å; M526-N528 VanDerWaalsContact C-N 3.32Å; M526-N528 PolarHBondContact O-N 3.32Å; M526-V531 HydrophobicContact CG-CG1 4.23Å; M526-A532 HydrophobicContact SD-CB 4.44Å; M526-M535 HydrophobicContact CG-CB 4.23Å; M526-M535 HydrophobicContact CG-CG 3.87Å; M526-M535 HydrophobicContact SD-CB 3.83Å; M526-M535 HydrophobicContact SD-CG 4.11Å | ||
| 527 | P | 84.7 | Confident | 87.2 | Confident | 76 Ų | 76 | 66.4 Ų | 66.4 | 49% | 0.494 | 32% | 0.32 | S | S | . | . | trans | -76.5 | -19.2 | -175.7 | 30.2 | -36.2 | 0 | 0 | 0 | 113.4 | E523 | E523-P527 WeakPolarHBondContact O-CA 3.48Å; E523-P527 VanDerWaalsContact O-N 3.14Å | ||
| 528 | N | 86.2 | Confident | 87.3 | Confident | 71 Ų | 71 | 64.5 Ų | 64.5 | 38% | 0.38 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -148.1 | 170.3 | -176.9 | 63.8 | 39.8 | 0 | 0 | 0 | 111.5 | L457 M526 D530 V531 A532 | L457-N528 VanDerWaalsContact CD2-C 3.45Å; L457-N528 WeakPolarHBondContact CD2-O 3.48Å; M526-N528 VanDerWaalsContact C-N 3.32Å; M526-N528 PolarHBondContact O-N 3.32Å; N528-D530 PolarHBondContact O-N 2.95Å; N528-D530 PolarHBondContact OD1-N 3.25Å; N528-V531 PolarHBondContact O-N 3.31Å; N528-V531 VanDerWaalsContact OD1-CG2 3.28Å; N528-V531 WeakPolarHBondContact OD1-CG2 2.96Å; N528-V531 PolarHBondContact OD1-N 2.91Å; N528-A532 PolarHBondContact O-N 3.46Å; N528-A532 VanDerWaalsContact O-N 3.11Å |
| 529 | R | 86.1 | Confident | 87.4 | Confident | 91 Ų | 91 | 65.3 Ų | 65.3 | 34% | 0.343 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | -176.1 | -68.9 | -179.7 | 64.4 | -172.8 | 4.5 | 113.1 | V450 E459 V531 A532 L533 | V450-R529 HydrophobicContact CG2-CB 4.21Å; V450-R529 HydrophobicContact CG2-CG 4.17Å; E459-R529 IonicContact OE1-CZ 2.76Å; E459-R529 IonicContact OE1-NH1 2.66Å; E459-R529 PolarHBondContact OE1-NH1 3.14Å; R529-V531 VanDerWaalsContact C-N 3.34Å; R529-V531 PolarHBondContact O-N 3.11Å; R529-A532 WeakPolarHBondContact O-CB 3.35Å; R529-A532 PolarHBondContact O-N 3.44Å; R529-A532 VanDerWaalsContact O-N 3.11Å; R529-L533 WeakPolarHBondContact O-CG 3.32Å; R529-L533 PolarHBondContact O-N 2.88Å |
| 530 | D | 86.6 | Confident | 87.7 | Confident | 125 Ų | 125 | 64.2 Ų | 64.2 | 67% | 0.668 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.2 | -44.6 | -179.6 | -59.8 | -31 | 0 | 0 | 0 | 111.5 | N528 A532 L533 F534 | N528-D530 PolarHBondContact O-N 2.95Å; N528-D530 PolarHBondContact OD1-N 3.25Å; D530-A532 VanDerWaalsContact C-N 3.33Å; D530-L533 PolarHBondContact O-N 2.59Å; D530-F534 PolarHBondContact O-N 2.87Å |
| 531 | V | 87.7 | Confident | 88 | Confident | 44 Ų | 44 | 67.1 Ų | 67.1 | 27% | 0.267 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | 175.4 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | M525 M526 N528 R529 F534 M535 | M525-V531 WeakPolarHBondContact O-CG1 3.33Å; M526-V531 HydrophobicContact CG-CG1 4.23Å; N528-V531 PolarHBondContact O-N 3.31Å; N528-V531 VanDerWaalsContact OD1-CG2 3.28Å; N528-V531 WeakPolarHBondContact OD1-CG2 2.96Å; N528-V531 PolarHBondContact OD1-N 2.91Å; R529-V531 VanDerWaalsContact C-N 3.34Å; R529-V531 PolarHBondContact O-N 3.11Å; V531-F534 PolarHBondContact O-N 3.23Å; V531-M535 HydrophobicContact CG1-CE 4.36Å; V531-M535 HydrophobicContact CG1-CG 4.18Å; V531-M535 WeakPolarHBondContact O-CB 3.27Å; V531-M535 WeakPolarHBondContact O-CG 3.33Å; V531-M535 PolarHBondContact O-N 2.78Å |
| 532 | A | 87.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63 | -45.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V450 F452 L457 M526 N528 R529 D530 F534 M535 Q536 | V450-A532 HydrophobicContact CG1-CB 4.15Å; V450-A532 HydrophobicContact CG2-CB 4.44Å; F452-A532 HydrophobicContact CD2-CB 4.18Å; F452-A532 WeakPolarHBondContact CE2-O 3.26Å; L457-A532 HydrophobicContact CD1-CB 3.59Å; L457-A532 HydrophobicContact CD2-CB 4.17Å; L457-A532 HydrophobicContact CG-CB 4.48Å; M526-A532 HydrophobicContact SD-CB 4.44Å; N528-A532 PolarHBondContact O-N 3.46Å; N528-A532 VanDerWaalsContact O-N 3.11Å; R529-A532 WeakPolarHBondContact O-CB 3.35Å; R529-A532 PolarHBondContact O-N 3.44Å; R529-A532 VanDerWaalsContact O-N 3.11Å; D530-A532 VanDerWaalsContact C-N 3.33Å; A532-F534 VanDerWaalsContact C-N 3.31Å; A532-F534 PolarHBondContact O-N 2.9Å; A532-M535 PolarHBondContact O-N 3.29Å; A532-M535 VanDerWaalsContact O-N 3.12Å; A532-Q536 PolarHBondContact O-N 3.45Å |
| 533 | L | 89 | Confident | 88.8 | Confident | 22 Ų | 22 | 65 Ų | 65 | 12% | 0.115 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.3 | -38.3 | 176.1 | -69.2 | 178 | 0 | 0 | 0 | 112 | V450 R529 D530 Q536 K537 | V450-L533 HydrophobicContact CG2-CD2 3.9Å; V450-L533 HydrophobicContact CG2-CG 4.15Å; R529-L533 WeakPolarHBondContact O-CG 3.32Å; R529-L533 PolarHBondContact O-N 2.88Å; D530-L533 PolarHBondContact O-N 2.59Å; L533-Q536 VanDerWaalsContact O-CG 3.28Å; L533-Q536 WeakPolarHBondContact O-CG 3.37Å; L533-K537 WeakPolarHBondContact O-CG 3.43Å; L533-K537 PolarHBondContact O-N 2.62Å |
| 534 | F | 90.8 | Very high | 89.2 | Confident | 122 Ų | 122 | 62.7 Ų | 62.7 | 54% | 0.535 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64 | -46.3 | 171.2 | 171.2 | -92.4 | 0 | 0 | 0 | 111.4 | D530 V531 A532 Q536 K537 F538 | D530-F534 PolarHBondContact O-N 2.87Å; V531-F534 PolarHBondContact O-N 3.23Å; A532-F534 VanDerWaalsContact C-N 3.31Å; A532-F534 PolarHBondContact O-N 2.9Å; F534-Q536 PolarHBondContact O-N 3.25Å; F534-K537 PolarHBondContact O-N 2.97Å; F534-F538 HydrophobicContact CE1-CB 4.17Å; F534-F538 HydrophobicContact CE1-CG 4.4Å; F534-F538 HydrophobicContact CZ-CB 4.32Å; F534-F538 HydrophobicContact CZ-CD2 4.48Å; F534-F538 HydrophobicContact CZ-CG 4.49Å; F534-F538 VanDerWaalsContact O-CB 3.3Å; F534-F538 WeakPolarHBondContact O-CB 3.45Å; F534-F538 PolarHBondContact O-N 3.01Å |
| 535 | M | 88.4 | Confident | 89.7 | Confident | 60 Ų | 60 | 56.1 Ų | 56.1 | 30% | 0.296 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.9 | -38.8 | -176.5 | -73.8 | -59.9 | 155.7 | 0 | 0 | 112.9 | F452 M526 V531 A532 F538 M539 | F452-M535 HydrophobicContact CE2-CB 4.41Å; M526-M535 HydrophobicContact CG-CB 4.23Å; M526-M535 HydrophobicContact CG-CG 3.87Å; M526-M535 HydrophobicContact SD-CB 3.83Å; M526-M535 HydrophobicContact SD-CG 4.11Å; V531-M535 HydrophobicContact CG1-CE 4.36Å; V531-M535 HydrophobicContact CG1-CG 4.18Å; V531-M535 WeakPolarHBondContact O-CB 3.27Å; V531-M535 WeakPolarHBondContact O-CG 3.33Å; V531-M535 PolarHBondContact O-N 2.78Å; A532-M535 PolarHBondContact O-N 3.29Å; A532-M535 VanDerWaalsContact O-N 3.12Å; M535-F538 PolarHBondContact O-N 2.7Å; M535-F538 HydrophobicContact SD-CD1 4.43Å; M535-M539 WeakPolarHBondContact O-CB 3.42Å; M535-M539 PolarHBondContact O-N 2.81Å |
| 536 | Q | 91.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65 | -43.1 | 176.1 | 68.2 | -175.1 | 30.5 | 0 | 0 | 111.7 | W445 T447 N449 F452 A532 L533 F534 M539 T540 | W445-Q536 HydrophobicContact CB-CG 4.49Å; W445-Q536 HydrophobicContact CD2-CB 4.14Å; W445-Q536 HydrophobicContact CE3-CB 3.46Å; W445-Q536 VanDerWaalsContact CE3-CB 3.46Å; W445-Q536 HydrophobicContact CZ3-CB 3.89Å; W445-Q536 WeakPolarHBondContact O-CG 3.5Å; W445-Q536 PolarHBondContact O-NE2 3.1Å; T447-Q536 PolarHBondContact O-NE2 2.81Å; N449-Q536 PolarHBondContact O-NE2 3.14Å; N449-Q536 VanDerWaalsContact O-NE2 3.1Å; F452-Q536 HydrophobicContact CE2-CB 3.7Å; F452-Q536 HydrophobicContact CZ-CB 3.9Å; A532-Q536 PolarHBondContact O-N 3.45Å; L533-Q536 VanDerWaalsContact O-CG 3.28Å; L533-Q536 WeakPolarHBondContact O-CG 3.37Å; F534-Q536 PolarHBondContact O-N 3.25Å; Q536-M539 PolarHBondContact O-N 2.89Å; Q536-T540 PolarHBondContact O-N 3.26Å; Q536-T540 VanDerWaalsContact O-N 3.11Å; Q536-T540 PolarHBondContact O-OG1 3.19Å |
| 537 | K | 91.6 | Very high | 90.9 | Very high | 61 Ų | 61 | 51.4 Ų | 51.4 | 27% | 0.265 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.9 | -49.5 | 175.6 | -68 | 172.2 | -175.2 | 176 | 0 | 110.6 | F446 L533 F534 M539 T540 F541 | F446-K537 HydrophobicContact CD1-CD 4.34Å; F446-K537 HydrophobicContact CD1-CG 3.94Å; F446-K537 HydrophobicContact CE1-CB 4.27Å; F446-K537 HydrophobicContact CE1-CG 4.18Å; F446-K537 HydrophobicContact CG-CG 4.48Å; F446-K537 WeakPolarHBondContact O-CE 3.33Å; L533-K537 WeakPolarHBondContact O-CG 3.43Å; L533-K537 PolarHBondContact O-N 2.62Å; F534-K537 PolarHBondContact O-N 2.97Å; K537-M539 PolarHBondContact O-N 3.43Å; K537-T540 WeakPolarHBondContact O-CB 3.46Å; K537-T540 PolarHBondContact O-N 3.37Å; K537-F541 WeakPolarHBondContact O-CD2 3.42Å; K537-F541 PolarHBondContact O-N 3.4Å |
| 538 | F | 91.1 | Very high | 91.5 | Very high | 108 Ų | 108 | 51.4 Ų | 51.4 | 47% | 0.474 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.9 | -46.4 | 177.5 | 177.6 | -107.7 | 0 | 0 | 0 | 112.2 | F534 M535 T540 F541 V542 | F534-F538 HydrophobicContact CE1-CB 4.17Å; F534-F538 HydrophobicContact CE1-CG 4.4Å; F534-F538 HydrophobicContact CZ-CB 4.32Å; F534-F538 HydrophobicContact CZ-CD2 4.48Å; F534-F538 HydrophobicContact CZ-CG 4.49Å; F534-F538 VanDerWaalsContact O-CB 3.3Å; F534-F538 WeakPolarHBondContact O-CB 3.45Å; F534-F538 PolarHBondContact O-N 3.01Å; M535-F538 PolarHBondContact O-N 2.7Å; M535-F538 HydrophobicContact SD-CD1 4.43Å; F538-T540 VanDerWaalsContact C-N 3.28Å; F538-T540 PolarHBondContact O-N 3.47Å; F538-F541 PolarHBondContact O-N 3.13Å; F538-F541 VanDerWaalsContact O-N 3.12Å; F538-V542 HydrophobicContact CD1-CG2 4.14Å; F538-V542 HydrophobicContact CE1-CG2 3.69Å; F538-V542 HydrophobicContact CE2-CG2 4.16Å; F538-V542 HydrophobicContact CZ-CG2 3.71Å; F538-V542 WeakPolarHBondContact O-CG2 3.33Å; F538-V542 PolarHBondContact O-N 2.84Å |
| 539 | M | 90 | Very high | 92 | Very high | 27 Ų | 27 | 48.9 Ų | 48.9 | 13% | 0.133 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.9 | -40.4 | 178.5 | -174.1 | 61.1 | -157.7 | 0 | 0 | 111.7 | W445 M535 Q536 K537 F541 V542 E543 L566 F570 | W445-M539 HydrophobicContact CZ3-CB 4.45Å; W445-M539 HydrophobicContact CZ3-CG 4.49Å; M535-M539 WeakPolarHBondContact O-CB 3.42Å; M535-M539 PolarHBondContact O-N 2.81Å; Q536-M539 PolarHBondContact O-N 2.89Å; K537-M539 PolarHBondContact O-N 3.43Å; M539-F541 VanDerWaalsContact C-N 3.34Å; M539-F541 PolarHBondContact O-N 3.26Å; M539-V542 WeakPolarHBondContact O-CB 3.33Å; M539-V542 PolarHBondContact O-N 3.14Å; M539-V542 VanDerWaalsContact O-N 3.16Å; M539-E543 HydrophobicContact CE-CG 3.64Å; M539-E543 WeakPolarHBondContact CE-OE1 3.38Å; M539-E543 WeakPolarHBondContact O-CG 3.31Å; M539-E543 PolarHBondContact O-N 3.47Å; M539-L566 HydrophobicContact CE-CB 4.5Å; M539-L566 HydrophobicContact CE-CD1 3.54Å; M539-L566 HydrophobicContact CE-CD2 3.36Å; M539-L566 HydrophobicContact CE-CG 3.95Å; M539-L566 HydrophobicContact SD-CD2 3.95Å; M539-F570 HydrophobicContact CE-CE1 4.07Å; M539-F570 HydrophobicContact CE-CZ 3.52Å |
| 540 | T | 91.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61 | -42.9 | 176.6 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | K426 V427 F446 Q536 K537 F538 V542 E543 I544 | K426-T540 HydrophobicContact CB-CG2 3.89Å; V427-T540 HydrophobicContact CG2-CG2 3.74Å; F446-T540 HydrophobicContact CE2-CG2 3.87Å; F446-T540 HydrophobicContact CZ-CG2 4.2Å; Q536-T540 PolarHBondContact O-N 3.26Å; Q536-T540 VanDerWaalsContact O-N 3.11Å; Q536-T540 PolarHBondContact O-OG1 3.19Å; K537-T540 WeakPolarHBondContact O-CB 3.46Å; K537-T540 PolarHBondContact O-N 3.37Å; F538-T540 VanDerWaalsContact C-N 3.28Å; F538-T540 PolarHBondContact O-N 3.47Å; T540-V542 PolarHBondContact O-N 2.81Å; T540-E543 PolarHBondContact O-N 3.18Å; T540-I544 HydrophobicContact CG2-CD1 4.31Å; T540-I544 WeakPolarHBondContact O-CG1 3.39Å; T540-I544 PolarHBondContact O-N 3.05Å |
| 541 | F | 94 | Very high | 93 | Very high | 128 Ų | 128 | 40.1 Ų | 40.1 | 56% | 0.561 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -64.7 | -38.4 | 174.2 | -69.5 | -68.2 | 0 | 0 | 0 | 112.9 | F446 K537 F538 M539 E543 I544 G545 | F446-F541 AromaticContact CE1-CE2 3.88Å; F446-F541 HydrophobicContact CE1-CE2 3.88Å; F446-F541 AromaticContact CE1-CZ 3.91Å; F446-F541 HydrophobicContact CE1-CZ 3.91Å; F446-F541 HydrophobicContact CZ-CE2 4.11Å; F446-F541 HydrophobicContact CZ-CZ 4.09Å; K537-F541 WeakPolarHBondContact O-CD2 3.42Å; K537-F541 PolarHBondContact O-N 3.4Å; F538-F541 PolarHBondContact O-N 3.13Å; F538-F541 VanDerWaalsContact O-N 3.12Å; M539-F541 VanDerWaalsContact C-N 3.34Å; M539-F541 PolarHBondContact O-N 3.26Å; F541-E543 VanDerWaalsContact C-N 3.34Å; F541-I544 PolarHBondContact O-N 2.88Å; F541-G545 PolarHBondContact O-N 3.27Å |
| 542 | V | 93 | Very high | 93.4 | Very high | 43 Ų | 43 | 43.8 Ų | 43.8 | 26% | 0.261 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.1 | -44 | 175.3 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | F538 M539 T540 G545 I546 | F538-V542 HydrophobicContact CD1-CG2 4.14Å; F538-V542 HydrophobicContact CE1-CG2 3.69Å; F538-V542 HydrophobicContact CE2-CG2 4.16Å; F538-V542 HydrophobicContact CZ-CG2 3.71Å; F538-V542 WeakPolarHBondContact O-CG2 3.33Å; F538-V542 PolarHBondContact O-N 2.84Å; M539-V542 WeakPolarHBondContact O-CB 3.33Å; M539-V542 PolarHBondContact O-N 3.14Å; M539-V542 VanDerWaalsContact O-N 3.16Å; T540-V542 PolarHBondContact O-N 2.81Å; V542-G545 PolarHBondContact O-N 3.33Å; V542-I546 HydrophobicContact CG1-CD1 3.85Å; V542-I546 HydrophobicContact CG1-CG1 4.45Å; V542-I546 WeakPolarHBondContact O-CB 3.25Å; V542-I546 WeakPolarHBondContact O-CG1 3.26Å; V542-I546 PolarHBondContact O-N 2.62Å |
| 543 | E | 94.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.5 | -42.9 | 178.4 | -69.5 | -177.6 | 174.2 | 0 | 0 | 112.8 | W419 A423 K426 M539 T540 F541 G545 I546 A547 F570 | W419-E543 HydrophobicContact CE3-CB 4.21Å; W419-E543 HydrophobicContact CE3-CG 3.92Å; W419-E543 HydrophobicContact CZ3-CG 3.77Å; A423-E543 HydrophobicContact CB-CB 3.78Å; K426-E543 WeakPolarHBondContact CD-OE2 3.48Å; K426-E543 VanDerWaalsContact CE-OE2 3.31Å; K426-E543 WeakPolarHBondContact CE-OE2 3.48Å; K426-E543 IonicContact NZ-OE1 3.45Å; K426-E543 PolarHBondContact NZ-OE1 3.44Å; K426-E543 IonicContact NZ-OE2 2.9Å; K426-E543 PolarHBondContact NZ-OE2 3.4Å; M539-E543 HydrophobicContact CE-CG 3.64Å; M539-E543 WeakPolarHBondContact CE-OE1 3.38Å; M539-E543 WeakPolarHBondContact O-CG 3.31Å; M539-E543 PolarHBondContact O-N 3.47Å; T540-E543 PolarHBondContact O-N 3.18Å; F541-E543 VanDerWaalsContact C-N 3.34Å; E543-G545 VanDerWaalsContact C-N 3.3Å; E543-G545 PolarHBondContact O-N 3.26Å; E543-I546 PolarHBondContact O-N 3.03Å; E543-A547 VanDerWaalsContact O-CB 3.28Å; E543-A547 WeakPolarHBondContact O-CB 3.48Å; E543-A547 PolarHBondContact O-N 2.9Å; E543-F570 WeakPolarHBondContact OE1-CZ 3.23Å |
| 544 | I | 95.9 | Very high | 94 | Very high | 46 Ų | 46 | 45 Ų | 45 | 24% | 0.236 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 173 | -65.2 | 170.6 | 0 | 0 | 0 | 109.9 | A423 V427 T540 F541 I546 A547 L548 | A423-I544 HydrophobicContact CB-CG1 3.65Å; V427-I544 HydrophobicContact CG2-CD1 4.17Å; T540-I544 HydrophobicContact CG2-CD1 4.31Å; T540-I544 WeakPolarHBondContact O-CG1 3.39Å; T540-I544 PolarHBondContact O-N 3.05Å; F541-I544 PolarHBondContact O-N 2.88Å; I544-I546 PolarHBondContact O-N 2.84Å; I544-A547 WeakPolarHBondContact O-CB 3.1Å; I544-A547 PolarHBondContact O-N 2.84Å; I544-L548 HydrophobicContact CG2-CD1 3.94Å; I544-L548 HydrophobicContact CG2-CG 4.34Å; I544-L548 WeakPolarHBondContact O-CG 3.29Å; I544-L548 PolarHBondContact O-N 3.2Å |
| 545 | G | 96.2 | Very high | 94.1 | Very high | 39 Ų | 39 | 43 Ų | 43 | 40% | 0.402 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.1 | -46.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F541 V542 E543 A549 | F541-G545 PolarHBondContact O-N 3.27Å; V542-G545 PolarHBondContact O-N 3.33Å; E543-G545 VanDerWaalsContact C-N 3.3Å; E543-G545 PolarHBondContact O-N 3.26Å; G545-A549 WeakPolarHBondContact O-CB 3.39Å; G545-A549 PolarHBondContact O-N 2.71Å |
| 546 | I | 96.3 | Very high | 94.3 | Very high | 15 Ų | 15 | 40.2 Ų | 40.2 | 8% | 0.077 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 175.3 | -73.2 | 171.5 | 0 | 0 | 0 | 111.2 | V542 E543 I544 A549 L550 A562 T563 L566 | V542-I546 HydrophobicContact CG1-CD1 3.85Å; V542-I546 HydrophobicContact CG1-CG1 4.45Å; V542-I546 WeakPolarHBondContact O-CB 3.25Å; V542-I546 WeakPolarHBondContact O-CG1 3.26Å; V542-I546 PolarHBondContact O-N 2.62Å; E543-I546 PolarHBondContact O-N 3.03Å; I544-I546 PolarHBondContact O-N 2.84Å; I546-A549 WeakPolarHBondContact O-CB 3.44Å; I546-A549 PolarHBondContact O-N 2.58Å; I546-L550 HydrophobicContact CG2-CD1 3.83Å; I546-L550 HydrophobicContact CG2-CG 4.43Å; I546-L550 WeakPolarHBondContact O-CB 3.27Å; I546-L550 VanDerWaalsContact O-CG 3.31Å; I546-L550 WeakPolarHBondContact O-CG 3.34Å; I546-L550 PolarHBondContact O-N 2.82Å; I546-A562 HydrophobicContact CD1-CB 4.04Å; I546-T563 HydrophobicContact CG2-CG2 3.39Å; I546-L566 HydrophobicContact CD1-CD1 3.46Å; I546-L566 VanDerWaalsContact CD1-CD1 3.46Å |
| 547 | A | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.9 | -50.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G416 W419 L420 E543 I544 L550 I551 | G416-A547 WeakPolarHBondContact O-CB 3.5Å; W419-A547 HydrophobicContact CB-CB 3.83Å; L420-A547 HydrophobicContact CB-CB 3.83Å; L420-A547 HydrophobicContact CD1-CB 4.15Å; E543-A547 VanDerWaalsContact O-CB 3.28Å; E543-A547 WeakPolarHBondContact O-CB 3.48Å; E543-A547 PolarHBondContact O-N 2.9Å; I544-A547 WeakPolarHBondContact O-CB 3.1Å; I544-A547 PolarHBondContact O-N 2.84Å; A547-L550 PolarHBondContact O-N 3.27Å; A547-I551 VanDerWaalsContact O-CG1 3.29Å; A547-I551 WeakPolarHBondContact O-CG1 3.5Å; A547-I551 PolarHBondContact O-N 3.3Å |
| 548 | L | 97.5 | Very high | 94.3 | Very high | 75 Ų | 75 | 49 Ų | 49 | 39% | 0.393 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65 | -41.6 | 177.8 | -64.2 | 175.6 | 0 | 0 | 0 | 111.6 | I544 L550 I551 F552 | I544-L548 HydrophobicContact CG2-CD1 3.94Å; I544-L548 HydrophobicContact CG2-CG 4.34Å; I544-L548 WeakPolarHBondContact O-CG 3.29Å; I544-L548 PolarHBondContact O-N 3.2Å; L548-L550 VanDerWaalsContact C-N 3.31Å; L548-L550 PolarHBondContact O-N 3.13Å; L548-I551 PolarHBondContact O-N 2.94Å; L548-F552 HydrophobicContact CB-CD2 4.45Å; L548-F552 HydrophobicContact CD2-CE2 4.11Å; L548-F552 VanDerWaalsContact O-CD2 3.29Å; L548-F552 WeakPolarHBondContact O-CD2 3.44Å; L548-F552 PolarHBondContact O-N 3.11Å |
| 549 | A | 96.6 | Very high | 94.5 | Very high | 18 Ų | 18 | 44.3 Ų | 44.3 | 15% | 0.149 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.4 | -44.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G545 I546 G553 L554 A559 | G545-A549 WeakPolarHBondContact O-CB 3.39Å; G545-A549 PolarHBondContact O-N 2.71Å; I546-A549 WeakPolarHBondContact O-CB 3.44Å; I546-A549 PolarHBondContact O-N 2.58Å; A549-G553 CarbonylContact O-C 3.47Å; A549-G553 WeakPolarHBondContact O-CA 3.43Å; A549-G553 PolarHBondContact O-N 3.02Å; A549-L554 CarbonylContact C-O 3.57Å; A549-L554 VanDerWaalsContact CB-O 3.31Å; A549-L554 WeakPolarHBondContact CB-O 3.25Å; A549-L554 PolarHBondContact O-N 2.98Å; A549-A559 HydrophobicContact CB-CB 4.11Å |
| 550 | L | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.9 | -49.7 | 176.5 | -69.8 | 168.1 | 0 | 0 | 0 | 112 | R412 Y415 I546 A547 L548 F552 G553 T556 A559 T563 L590 | R412-L550 WeakPolarHBondContact CD-O 3.37Å; R412-L550 WeakPolarHBondContact CG-O 3.37Å; R412-L550 PolarHBondContact NE-O 2.76Å; Y415-L550 HydrophobicContact CD1-CD1 3.64Å; Y415-L550 HydrophobicContact CD1-CD2 4.47Å; Y415-L550 HydrophobicContact CE1-CD1 3.81Å; I546-L550 HydrophobicContact CG2-CD1 3.83Å; I546-L550 HydrophobicContact CG2-CG 4.43Å; I546-L550 WeakPolarHBondContact O-CB 3.27Å; I546-L550 VanDerWaalsContact O-CG 3.31Å; I546-L550 WeakPolarHBondContact O-CG 3.34Å; I546-L550 PolarHBondContact O-N 2.82Å; A547-L550 PolarHBondContact O-N 3.27Å; L548-L550 VanDerWaalsContact C-N 3.31Å; L548-L550 PolarHBondContact O-N 3.13Å; L550-F552 PolarHBondContact O-N 2.74Å; L550-G553 PolarHBondContact O-N 3.04Å; L550-G553 VanDerWaalsContact O-N 3.08Å; L550-T556 HydrophobicContact CD2-CG2 4.1Å; L550-A559 HydrophobicContact CD2-CB 3.98Å; L550-A559 HydrophobicContact CG-CB 4.08Å; L550-T563 HydrophobicContact CD1-CG2 4.24Å; L550-L590 HydrophobicContact CD2-CD1 4.41Å |
| 551 | I | 96.5 | Very high | 94.6 | Very high | 32 Ų | 32 | 44.6 Ų | 44.6 | 16% | 0.164 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.6 | -52 | -178.1 | -69.9 | 165.7 | 0 | 0 | 0 | 110.8 | R412 L420 A547 L548 G553 | R412-I551 PolarHBondContact NH2-O 3.33Å; L420-I551 HydrophobicContact CD2-CD1 4.14Å; A547-I551 VanDerWaalsContact O-CG1 3.29Å; A547-I551 WeakPolarHBondContact O-CG1 3.5Å; A547-I551 PolarHBondContact O-N 3.3Å; L548-I551 PolarHBondContact O-N 2.94Å; I551-G553 VanDerWaalsContact C-N 3.28Å; I551-G553 PolarHBondContact O-N 3.34Å |
| 552 | F | 95.9 | Very high | 94.6 | Very high | 121 Ų | 121 | 40.5 Ų | 40.5 | 53% | 0.531 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -82.2 | -3 | -179 | -63.9 | -66.8 | 0 | 0 | 0 | 113.9 | L548 L550 G599 L600 | L548-F552 HydrophobicContact CB-CD2 4.45Å; L548-F552 HydrophobicContact CD2-CE2 4.11Å; L548-F552 VanDerWaalsContact O-CD2 3.29Å; L548-F552 WeakPolarHBondContact O-CD2 3.44Å; L548-F552 PolarHBondContact O-N 3.11Å; L550-F552 PolarHBondContact O-N 2.74Å; F552-G599 CarbonylContact O-C 3.58Å; F552-G599 WeakPolarHBondContact O-CA 3.26Å; F552-L600 HydrophobicContact CB-CD1 4.03Å; F552-L600 HydrophobicContact CB-CG 4.44Å; F552-L600 PolarHBondContact O-N 3.01Å |
| 553 | G | 93.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 40.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | A549 L550 I551 T556 L600 D601 | A549-G553 CarbonylContact O-C 3.47Å; A549-G553 WeakPolarHBondContact O-CA 3.43Å; A549-G553 PolarHBondContact O-N 3.02Å; L550-G553 PolarHBondContact O-N 3.04Å; L550-G553 VanDerWaalsContact O-N 3.08Å; I551-G553 VanDerWaalsContact C-N 3.28Å; I551-G553 PolarHBondContact O-N 3.34Å; G553-T556 VanDerWaalsContact C-OG1 3.26Å; G553-T556 VanDerWaalsContact CA-OG1 3.3Å; G553-T556 WeakPolarHBondContact CA-OG1 3.4Å; G553-T556 PolarHBondContact O-OG1 2.9Å; G553-L600 PolarHBondContact O-N 2.95Å; G553-L600 VanDerWaalsContact O-N 3.13Å; G553-D601 WeakPolarHBondContact O-CB 3.47Å; G553-D601 PolarHBondContact O-N 3.36Å |
| 554 | L | 95.7 | Very high | 94.6 | Very high | 49 Ų | 49 | 39.7 Ų | 39.7 | 26% | 0.257 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -102.8 | 126.3 | 175.4 | 179.9 | 62.2 | 0 | 0 | 0 | 109.9 | A549 T556 L600 V604 | A549-L554 CarbonylContact C-O 3.57Å; A549-L554 VanDerWaalsContact CB-O 3.31Å; A549-L554 WeakPolarHBondContact CB-O 3.25Å; A549-L554 PolarHBondContact O-N 2.98Å; L554-T556 PolarHBondContact O-N 3.49Å; L554-L600 HydrophobicContact CB-CB 4.04Å; L554-L600 HydrophobicContact CB-CD1 4.13Å; L554-L600 HydrophobicContact CD1-CB 4.03Å; L554-L600 HydrophobicContact CD2-CD1 4.38Å; L554-V604 HydrophobicContact CD1-CB 4.02Å; L554-V604 HydrophobicContact CD1-CG1 3.92Å; L554-V604 HydrophobicContact CD1-CG2 3.82Å |
| 555 | F | 92.7 | Very high | 94.4 | Very high | 80 Ų | 80 | 39.3 Ų | 39.3 | 35% | 0.351 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 49.8 | 37.9 | -174.8 | -55.9 | -56 | 0 | 0 | 0 | 113.4 | W557 L558 A559 D601 V604 I605 I608 | F555-W557 PolarHBondContact O-N 3.3Å; F555-W557 VanDerWaalsContact O-N 3.08Å; F555-L558 HydrophobicContact CB-CB 4.28Å; F555-L558 HydrophobicContact CB-CD1 4.33Å; F555-L558 HydrophobicContact CD1-CD1 4.39Å; F555-L558 PolarHBondContact O-N 3Å; F555-A559 PolarHBondContact O-N 3.18Å; F555-D601 WeakPolarHBondContact CA-OD1 3.44Å; F555-D601 PolarHBondContact N-OD1 3.06Å; F555-V604 HydrophobicContact CE1-CG1 3.99Å; F555-V604 HydrophobicContact CZ-CG1 3.91Å; F555-I605 HydrophobicContact CD1-CD1 4.07Å; F555-I605 HydrophobicContact CE1-CD1 4.21Å; F555-I608 HydrophobicContact CE1-CD1 3.58Å; F555-I608 HydrophobicContact CZ-CD1 3.93Å |
| 556 | T | 92.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.8 | -37 | -167.8 | -51.4 | 0 | 0 | 0 | 0 | 112.4 | R412 L550 G553 L554 S560 L590 G595 D601 | R412-T556 HydrophobicContact CG-CG2 4.31Å; L550-T556 HydrophobicContact CD2-CG2 4.1Å; G553-T556 VanDerWaalsContact C-OG1 3.26Å; G553-T556 VanDerWaalsContact CA-OG1 3.3Å; G553-T556 WeakPolarHBondContact CA-OG1 3.4Å; G553-T556 PolarHBondContact O-OG1 2.9Å; L554-T556 PolarHBondContact O-N 3.49Å; T556-S560 VanDerWaalsContact O-CB 3.23Å; T556-S560 WeakPolarHBondContact O-CB 3.49Å; T556-S560 PolarHBondContact O-N 2.8Å; T556-S560 PolarHBondContact O-OG 2.84Å; T556-L590 HydrophobicContact CG2-CB 4.47Å; T556-G595 WeakPolarHBondContact OG1-CA 3.23Å; T556-G595 PolarHBondContact OG1-N 3.05Å; T556-D601 WeakPolarHBondContact CB-OD2 3.48Å; T556-D601 PolarHBondContact N-OD2 3.44Å; T556-D601 PolarHBondContact OG1-OD2 3.33Å |
| 557 | W | 91.8 | Very high | 94 | Very high | 143 Ų | 143 | 38.2 Ų | 38.2 | 54% | 0.542 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.6 | -47.9 | 176.3 | -171.7 | 95.5 | 0 | 0 | 0 | 111.9 | F555 S560 A561 M591 | F555-W557 PolarHBondContact O-N 3.3Å; F555-W557 VanDerWaalsContact O-N 3.08Å; W557-S560 PolarHBondContact O-N 3.33Å; W557-A561 HydrophobicContact CZ3-CB 4.38Å; W557-A561 WeakPolarHBondContact O-CB 3.39Å; W557-A561 PolarHBondContact O-N 2.9Å; W557-M591 HydrophobicContact CD2-CE 4.24Å; W557-M591 VanDerWaalsContact CE2-CE 3.49Å; W557-M591 HydrophobicContact CG-CG 4.48Å; W557-M591 HydrophobicContact CZ2-CE 3.66Å |
| 558 | L | 90.5 | Very high | 93.7 | Very high | 104 Ų | 104 | 41.4 Ų | 41.4 | 55% | 0.545 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.4 | -42.8 | 178.7 | -68.8 | 171 | 0 | 0 | 0 | 111.3 | F555 A561 A562 | F555-L558 HydrophobicContact CB-CB 4.28Å; F555-L558 HydrophobicContact CB-CD1 4.33Å; F555-L558 HydrophobicContact CD1-CD1 4.39Å; F555-L558 PolarHBondContact O-N 3Å; L558-A561 PolarHBondContact O-N 2.9Å; L558-A562 WeakPolarHBondContact O-CB 3.46Å; L558-A562 PolarHBondContact O-N 3.47Å |
| 559 | A | 95.3 | Very high | 93.3 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 7% | 0.074 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.2 | -46.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A549 L550 F555 A562 T563 | A549-A559 HydrophobicContact CB-CB 4.11Å; L550-A559 HydrophobicContact CD2-CB 3.98Å; L550-A559 HydrophobicContact CG-CB 4.08Å; F555-A559 PolarHBondContact O-N 3.18Å; A559-A562 WeakPolarHBondContact O-CB 3.29Å; A559-A562 PolarHBondContact O-N 2.59Å; A559-T563 WeakPolarHBondContact O-CG2 3.37Å; A559-T563 PolarHBondContact O-N 3.43Å |
| 560 | S | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.3 | -45 | 176.8 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | T556 W557 A562 T563 I564 A587 | T556-S560 VanDerWaalsContact O-CB 3.23Å; T556-S560 WeakPolarHBondContact O-CB 3.49Å; T556-S560 PolarHBondContact O-N 2.8Å; T556-S560 PolarHBondContact O-OG 2.84Å; W557-S560 PolarHBondContact O-N 3.33Å; S560-A562 VanDerWaalsContact C-N 3.31Å; S560-A562 PolarHBondContact O-N 2.99Å; S560-T563 PolarHBondContact O-N 2.96Å; S560-T563 VanDerWaalsContact O-N 3.14Å; S560-T563 PolarHBondContact O-OG1 3.26Å; S560-I564 WeakPolarHBondContact O-CG1 3.32Å; S560-I564 PolarHBondContact O-N 2.91Å; S560-I564 VanDerWaalsContact O-N 3.07Å; S560-A587 WeakPolarHBondContact CB-O 3.26Å |
| 561 | A | 90.6 | Very high | 92.6 | Very high | 33 Ų | 33 | 41.1 Ų | 41.1 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.4 | -40.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | W557 L558 I564 G565 M591 | W557-A561 HydrophobicContact CZ3-CB 4.38Å; W557-A561 WeakPolarHBondContact O-CB 3.39Å; W557-A561 PolarHBondContact O-N 2.9Å; L558-A561 PolarHBondContact O-N 2.9Å; A561-I564 PolarHBondContact O-N 2.86Å; A561-G565 PolarHBondContact O-N 2.92Å; A561-G565 VanDerWaalsContact O-N 3.11Å; A561-M591 HydrophobicContact CB-CE 4.35Å |
| 562 | A | 92.8 | Very high | 92.3 | Very high | 42 Ų | 42 | 40.6 Ų | 40.6 | 35% | 0.347 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62 | -42.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I546 L558 A559 S560 I564 G565 L566 | I546-A562 HydrophobicContact CD1-CB 4.04Å; L558-A562 WeakPolarHBondContact O-CB 3.46Å; L558-A562 PolarHBondContact O-N 3.47Å; A559-A562 WeakPolarHBondContact O-CB 3.29Å; A559-A562 PolarHBondContact O-N 2.59Å; S560-A562 VanDerWaalsContact C-N 3.31Å; S560-A562 PolarHBondContact O-N 2.99Å; A562-I564 VanDerWaalsContact C-N 3.29Å; A562-I564 PolarHBondContact O-N 2.94Å; A562-G565 PolarHBondContact O-N 2.85Å; A562-L566 WeakPolarHBondContact O-CB 3.46Å; A562-L566 VanDerWaalsContact O-CG 3.31Å; A562-L566 WeakPolarHBondContact O-CG 3.44Å; A562-L566 PolarHBondContact O-N 2.94Å |
| 563 | T | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.5 | -35.6 | 176 | 63 | 0 | 0 | 0 | 0 | 112.9 | Y415 W419 I546 L550 A559 S560 T567 A587 | Y415-T563 HydrophobicContact CE1-CG2 4.17Å; Y415-T563 VanDerWaalsContact OH-CB 3.3Å; Y415-T563 WeakPolarHBondContact OH-CB 3.47Å; Y415-T563 PolarHBondContact OH-OG1 3.25Å; W419-T563 HydrophobicContact CD2-CG2 4.22Å; W419-T563 VanDerWaalsContact CE2-CG2 3.43Å; W419-T563 HydrophobicContact CH2-CG2 4.49Å; W419-T563 HydrophobicContact CZ2-CG2 3.61Å; I546-T563 HydrophobicContact CG2-CG2 3.39Å; L550-T563 HydrophobicContact CD1-CG2 4.24Å; A559-T563 WeakPolarHBondContact O-CG2 3.37Å; A559-T563 PolarHBondContact O-N 3.43Å; S560-T563 PolarHBondContact O-N 2.96Å; S560-T563 VanDerWaalsContact O-N 3.14Å; S560-T563 PolarHBondContact O-OG1 3.26Å; T563-T567 VanDerWaalsContact O-CB 3.27Å; T563-T567 WeakPolarHBondContact O-CB 3.34Å; T563-T567 PolarHBondContact O-N 3.44Å; T563-T567 PolarHBondContact O-OG1 3.12Å; T563-A587 WeakPolarHBondContact OG1-CB 3.48Å |
| 564 | I | 93.7 | Very high | 91.1 | Very high | 28 Ų | 28 | 36.6 Ų | 36.6 | 14% | 0.144 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.7 | -50.4 | 174.5 | -64.3 | 168 | 0 | 0 | 0 | 109.7 | S560 A561 A562 L566 T567 V568 A587 F588 M591 | S560-I564 WeakPolarHBondContact O-CG1 3.32Å; S560-I564 PolarHBondContact O-N 2.91Å; S560-I564 VanDerWaalsContact O-N 3.07Å; A561-I564 PolarHBondContact O-N 2.86Å; A562-I564 VanDerWaalsContact C-N 3.29Å; A562-I564 PolarHBondContact O-N 2.94Å; I564-L566 PolarHBondContact O-N 3.15Å; I564-T567 PolarHBondContact O-N 2.96Å; I564-V568 WeakPolarHBondContact O-CG2 3.23Å; I564-V568 PolarHBondContact O-N 3.28Å; I564-A587 HydrophobicContact CD1-CB 3.94Å; I564-A587 HydrophobicContact CG1-CB 3.54Å; I564-F588 HydrophobicContact CD1-CD1 4.19Å; I564-F588 HydrophobicContact CD1-CD2 4.17Å; I564-F588 HydrophobicContact CD1-CE1 4.08Å; I564-F588 HydrophobicContact CD1-CE2 4.06Å; I564-F588 HydrophobicContact CD1-CG 4.23Å; I564-F588 HydrophobicContact CD1-CZ 4.01Å; I564-M591 HydrophobicContact CD1-SD 3.82Å |
| 565 | G | 90.9 | Very high | 90.5 | Very high | 38 Ų | 38 | 37.1 Ų | 37.1 | 39% | 0.392 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.3 | -45.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A561 A562 V568 V569 | A561-G565 PolarHBondContact O-N 2.92Å; A561-G565 VanDerWaalsContact O-N 3.11Å; A562-G565 PolarHBondContact O-N 2.85Å; G565-V568 PolarHBondContact O-N 2.95Å; G565-V569 WeakPolarHBondContact O-CG2 3.43Å; G565-V569 PolarHBondContact O-N 3.45Å |
| 566 | L | 92.4 | Very high | 90.3 | Very high | 30 Ų | 30 | 34 Ų | 34 | 16% | 0.157 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.8 | -43.5 | 176.2 | -71 | 175.8 | 0 | 0 | 0 | 112.1 | W419 M539 I546 A562 I564 V568 V569 F570 | W419-L566 HydrophobicContact CH2-CB 4.17Å; W419-L566 HydrophobicContact CH2-CD1 4.22Å; W419-L566 HydrophobicContact CZ3-CD1 4.38Å; M539-L566 HydrophobicContact CE-CB 4.5Å; M539-L566 HydrophobicContact CE-CD1 3.54Å; M539-L566 HydrophobicContact CE-CD2 3.36Å; M539-L566 HydrophobicContact CE-CG 3.95Å; M539-L566 HydrophobicContact SD-CD2 3.95Å; I546-L566 HydrophobicContact CD1-CD1 3.46Å; I546-L566 VanDerWaalsContact CD1-CD1 3.46Å; A562-L566 WeakPolarHBondContact O-CB 3.46Å; A562-L566 VanDerWaalsContact O-CG 3.31Å; A562-L566 WeakPolarHBondContact O-CG 3.44Å; A562-L566 PolarHBondContact O-N 2.94Å; I564-L566 PolarHBondContact O-N 3.15Å; L566-V568 VanDerWaalsContact C-N 3.32Å; L566-V568 PolarHBondContact O-N 2.89Å; L566-V569 WeakPolarHBondContact O-CB 3.4Å; L566-V569 PolarHBondContact O-N 3.39Å; L566-F570 HydrophobicContact CB-CE2 4.36Å; L566-F570 WeakPolarHBondContact O-CD2 3.49Å; L566-F570 WeakPolarHBondContact O-CG 3Å; L566-F570 PolarHBondContact O-N 3.32Å |
| 567 | T | 91.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -41.6 | 177.7 | -56.5 | 0 | 0 | 0 | 0 | 111 | T563 I564 V569 F570 C571 F576 I584 | T563-T567 VanDerWaalsContact O-CB 3.27Å; T563-T567 WeakPolarHBondContact O-CB 3.34Å; T563-T567 PolarHBondContact O-N 3.44Å; T563-T567 PolarHBondContact O-OG1 3.12Å; I564-T567 PolarHBondContact O-N 2.96Å; T567-V569 PolarHBondContact O-N 3.28Å; T567-F570 PolarHBondContact O-N 2.89Å; T567-C571 PolarHBondContact O-N 3.44Å; T567-C571 PolarHBondContact O-SG 2.87Å; T567-F576 HydrophobicContact CG2-CD1 3.92Å; T567-F576 HydrophobicContact CG2-CD2 4.2Å; T567-F576 HydrophobicContact CG2-CE1 3.46Å; T567-F576 VanDerWaalsContact CG2-CE1 3.46Å; T567-F576 HydrophobicContact CG2-CE2 3.77Å; T567-F576 HydrophobicContact CG2-CG 4.26Å; T567-F576 HydrophobicContact CG2-CZ 3.38Å; T567-I584 HydrophobicContact CG2-CD1 3.9Å; T567-I584 HydrophobicContact CG2-CG1 3.68Å |
| 568 | V | 91.2 | Very high | 89.9 | Confident | 67 Ų | 67 | 32.3 Ų | 32.3 | 41% | 0.406 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.8 | -43.9 | 174.3 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | I564 G565 L566 F570 C571 L572 | I564-V568 WeakPolarHBondContact O-CG2 3.23Å; I564-V568 PolarHBondContact O-N 3.28Å; G565-V568 PolarHBondContact O-N 2.95Å; L566-V568 VanDerWaalsContact C-N 3.32Å; L566-V568 PolarHBondContact O-N 2.89Å; V568-F570 VanDerWaalsContact C-N 3.33Å; V568-F570 PolarHBondContact O-N 2.93Å; V568-C571 WeakPolarHBondContact O-CB 3.37Å; V568-C571 PolarHBondContact O-N 3.09Å; V568-L572 HydrophobicContact CG1-CD1 3.98Å; V568-L572 HydrophobicContact CG1-CG 4.46Å; V568-L572 VanDerWaalsContact O-CG 3.32Å; V568-L572 WeakPolarHBondContact O-CG 3.46Å; V568-L572 PolarHBondContact O-N 2.87Å |
| 569 | V | 89 | Confident | 89.8 | Confident | 52 Ų | 52 | 27.7 Ų | 27.7 | 32% | 0.315 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.4 | -42.3 | 175 | 164.5 | 0 | 0 | 0 | 0 | 111.2 | F518 G565 L566 T567 L572 S573 | F518-V569 HydrophobicContact CZ-CG1 4.19Å; F518-V569 HydrophobicContact CZ-CG2 4.5Å; G565-V569 WeakPolarHBondContact O-CG2 3.43Å; G565-V569 PolarHBondContact O-N 3.45Å; L566-V569 WeakPolarHBondContact O-CB 3.4Å; L566-V569 PolarHBondContact O-N 3.39Å; T567-V569 PolarHBondContact O-N 3.28Å; V569-L572 PolarHBondContact O-N 2.92Å; V569-S573 WeakPolarHBondContact O-CB 3.23Å; V569-S573 PolarHBondContact O-N 2.92Å; V569-S573 PolarHBondContact O-OG 3.41Å |
| 570 | F | 89.8 | Confident | 89.5 | Confident | 27 Ų | 27 | 28.7 Ų | 28.7 | 12% | 0.118 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.3 | -41.7 | 177 | -61.6 | -25.9 | 0 | 0 | 0 | 112.3 | W419 M539 E543 L566 T567 V568 S573 G574 M575 F576 | W419-F570 AromaticContact CH2-CE2 3.89Å; W419-F570 HydrophobicContact CH2-CE2 3.89Å; W419-F570 HydrophobicContact CZ3-CE2 4.1Å; M539-F570 HydrophobicContact CE-CE1 4.07Å; M539-F570 HydrophobicContact CE-CZ 3.52Å; E543-F570 WeakPolarHBondContact OE1-CZ 3.23Å; L566-F570 HydrophobicContact CB-CE2 4.36Å; L566-F570 WeakPolarHBondContact O-CD2 3.49Å; L566-F570 WeakPolarHBondContact O-CG 3Å; L566-F570 PolarHBondContact O-N 3.32Å; T567-F570 PolarHBondContact O-N 2.89Å; V568-F570 VanDerWaalsContact C-N 3.33Å; V568-F570 PolarHBondContact O-N 2.93Å; F570-S573 PolarHBondContact O-N 3.17Å; F570-G574 PolarHBondContact O-N 3.01Å; F570-M575 PolarHBondContact O-N 3.21Å; F570-F576 HydrophobicContact CB-CB 3.76Å; F570-F576 HydrophobicContact CB-CD2 3.85Å; F570-F576 HydrophobicContact CB-CG 4.16Å; F570-F576 HydrophobicContact CD2-CD2 4.1Å; F570-F576 HydrophobicContact CG-CD2 4.49Å; F570-F576 PolarHBondContact O-N 2.92Å |
| 571 | C | 88.6 | Confident | 89.3 | Confident | 8 Ų | 8 | 30.1 Ų | 30.1 | 5% | 0.054 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.9 | -52.2 | 172.9 | -69.6 | 0 | 0 | 0 | 0 | 110.6 | V510 F511 T567 V568 S573 G574 F576 | V510-C571 HydrophobicContact CB-CB 4.13Å; V510-C571 HydrophobicContact CG1-CB 4.14Å; F511-C571 HydrophobicContact CD2-CB 4.16Å; F511-C571 WeakPolarHBondContact CD2-O 3.45Å; F511-C571 HydrophobicContact CE2-CB 4.37Å; T567-C571 PolarHBondContact O-N 3.44Å; T567-C571 PolarHBondContact O-SG 2.87Å; V568-C571 WeakPolarHBondContact O-CB 3.37Å; V568-C571 PolarHBondContact O-N 3.09Å; C571-S573 PolarHBondContact O-N 3.13Å; C571-G574 PolarHBondContact O-N 2.93Å; C571-G574 VanDerWaalsContact O-N 3.12Å; C571-F576 HydrophobicContact CB-CB 4.43Å; C571-F576 VanDerWaalsContact SG-CD1 3.52Å |
| 572 | L | 88.8 | Confident | 89.3 | Confident | 21 Ų | 21 | 32.3 Ų | 32.3 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.3 | -24.9 | -179 | -68 | 172.2 | 0 | 0 | 0 | 113.2 | F511 M514 P515 W517 F518 V568 V569 G574 | F511-L572 HydrophobicContact CD2-CD2 4.37Å; F511-L572 HydrophobicContact CE2-CD2 3.99Å; F511-L572 HydrophobicContact CZ-CD2 4.23Å; M514-L572 WeakPolarHBondContact CA-O 3.46Å; M514-L572 WeakPolarHBondContact CG-O 3.35Å; P515-L572 WeakPolarHBondContact CD-O 3.41Å; P515-L572 HydrophobicContact CG-CD2 4.05Å; W517-L572 HydrophobicContact CH2-CD1 3.98Å; W517-L572 HydrophobicContact CZ2-CD1 4.3Å; W517-L572 HydrophobicContact CZ2-CD2 4.29Å; F518-L572 HydrophobicContact CD1-CB 3.85Å; F518-L572 HydrophobicContact CD2-CB 4.21Å; F518-L572 HydrophobicContact CD2-CD1 3.79Å; F518-L572 HydrophobicContact CE1-CB 3.73Å; F518-L572 HydrophobicContact CE2-CB 4.1Å; F518-L572 HydrophobicContact CE2-CD1 3.79Å; F518-L572 HydrophobicContact CG-CB 4.06Å; F518-L572 HydrophobicContact CG-CD1 4.33Å; F518-L572 HydrophobicContact CZ-CB 3.84Å; F518-L572 HydrophobicContact CZ-CD1 4.33Å; V568-L572 HydrophobicContact CG1-CD1 3.98Å; V568-L572 HydrophobicContact CG1-CG 4.46Å; V568-L572 VanDerWaalsContact O-CG 3.32Å; V568-L572 WeakPolarHBondContact O-CG 3.46Å; V568-L572 PolarHBondContact O-N 2.87Å; V569-L572 PolarHBondContact O-N 2.92Å; L572-G574 VanDerWaalsContact C-N 3.34Å |
| 573 | S | 83.5 | Confident | 89.3 | Confident | 11 Ų | 11 | 31 Ų | 31 | 8% | 0.077 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -3.8 | 177.3 | -53.4 | 0 | 0 | 0 | 0 | 113.8 | F518 V569 F570 C571 M575 | F518-S573 WeakPolarHBondContact CE1-OG 3.44Å; V569-S573 WeakPolarHBondContact O-CB 3.23Å; V569-S573 PolarHBondContact O-N 2.92Å; V569-S573 PolarHBondContact O-OG 3.41Å; F570-S573 PolarHBondContact O-N 3.17Å; C571-S573 PolarHBondContact O-N 3.13Å; S573-M575 PolarHBondContact O-N 3.15Å |
| 574 | G | 81.8 | Confident | 89.2 | Confident | 26 Ų | 26 | 32.5 Ų | 32.5 | 27% | 0.268 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 14.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | F511 F570 C571 L572 | F511-G574 WeakPolarHBondContact O-CA 3.43Å; F570-G574 PolarHBondContact O-N 3.01Å; C571-G574 PolarHBondContact O-N 2.93Å; C571-G574 VanDerWaalsContact O-N 3.12Å; L572-G574 VanDerWaalsContact C-N 3.34Å |
| 575 | M | 83 | Confident | 89.3 | Confident | 60 Ų | 60 | 37.9 Ų | 37.9 | 30% | 0.296 | 20% | 0.199 | S | C | . | . | trans | -102.4 | 15.2 | -177.3 | -61.3 | 177 | 70 | 0 | 0 | 112.5 | W445 F452 P453 F570 S573 | W445-M575 HydrophobicContact CH2-CE 4.18Å; W445-M575 HydrophobicContact CZ2-CE 4.22Å; F452-M575 HydrophobicContact CD1-SD 4.3Å; P453-M575 HydrophobicContact CG-CG 4.32Å; P453-M575 HydrophobicContact CG-SD 4.45Å; F570-M575 PolarHBondContact O-N 3.21Å; S573-M575 PolarHBondContact O-N 3.15Å | ||
| 576 | F | 87.3 | Confident | 89.4 | Confident | 14 Ų | 14 | 37 Ų | 37 | 6% | 0.061 | 19% | 0.186 | C | C | . | . | trans | -137 | 142.2 | -178.9 | -152.3 | -98.7 | 0 | 0 | 0 | 111.5 | P509 V510 T567 F570 C571 N580 F583 | P509-F576 WeakPolarHBondContact CA-O 3.19Å; V510-F576 HydrophobicContact CG2-CD1 4.29Å; V510-F576 PolarHBondContact N-O 2.68Å; T567-F576 HydrophobicContact CG2-CD1 3.92Å; T567-F576 HydrophobicContact CG2-CD2 4.2Å; T567-F576 HydrophobicContact CG2-CE1 3.46Å; T567-F576 VanDerWaalsContact CG2-CE1 3.46Å; T567-F576 HydrophobicContact CG2-CE2 3.77Å; T567-F576 HydrophobicContact CG2-CG 4.26Å; T567-F576 HydrophobicContact CG2-CZ 3.38Å; F570-F576 HydrophobicContact CB-CB 3.76Å; F570-F576 HydrophobicContact CB-CD2 3.85Å; F570-F576 HydrophobicContact CB-CG 4.16Å; F570-F576 HydrophobicContact CD2-CD2 4.1Å; F570-F576 HydrophobicContact CG-CD2 4.49Å; F570-F576 PolarHBondContact O-N 2.92Å; C571-F576 HydrophobicContact CB-CB 4.43Å; C571-F576 VanDerWaalsContact SG-CD1 3.52Å; F576-N580 HydrophobicContact CD1-CB 4.43Å; F576-N580 HydrophobicContact CE1-CB 3.65Å; F576-N580 WeakPolarHBondContact CE1-O 3.4Å; F576-N580 HydrophobicContact CE2-CB 4.01Å; F576-N580 HydrophobicContact CZ-CB 3.4Å; F576-N580 VanDerWaalsContact CZ-O 3.29Å; F576-N580 WeakPolarHBondContact CZ-O 3.31Å; F576-F583 HydrophobicContact CZ-CB 4.27Å; F576-F583 HydrophobicContact CZ-CG 4.38Å | ||
| 577 | F | 88.7 | Confident | 89.5 | Confident | 30 Ų | 30 | 35.6 Ų | 35.6 | 13% | 0.132 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -115.3 | 152.4 | -170.7 | -57.9 | -82.4 | 0 | 0 | 0 | 112 | T476 P507 M508 P509 V579 N580 | T476-F577 HydrophobicContact CG2-CE1 4.33Å; T476-F577 HydrophobicContact CG2-CE2 4.26Å; T476-F577 HydrophobicContact CG2-CZ 3.5Å; P507-F577 HydrophobicContact CB-CB 4.09Å; P507-F577 HydrophobicContact CB-CD1 3.9Å; P507-F577 HydrophobicContact CB-CG 4.1Å; P507-F577 HydrophobicContact CG-CD1 3.78Å; P507-F577 HydrophobicContact CG-CE1 4.15Å; P507-F577 HydrophobicContact CG-CG 4.03Å; P507-F577 VanDerWaalsContact O-CD1 3.29Å; P507-F577 WeakPolarHBondContact O-CD1 3.5Å; M508-F577 WeakPolarHBondContact O-CA 3.17Å; P509-F577 HydrophobicContact CB-CD1 4.3Å; P509-F577 HydrophobicContact CB-CE1 4.29Å; F577-V579 HydrophobicContact CB-CG1 3.78Å; F577-V579 PolarHBondContact O-N 3.29Å; F577-N580 PolarHBondContact O-N 3.29Å |
| 578 | W | 88.2 | Confident | 89.6 | Confident | 78 Ų | 78 | 41.5 Ų | 41.5 | 30% | 0.295 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -56.9 | -32.1 | 178.2 | -80.5 | 106.3 | 0 | 0 | 0 | 113.6 | F497 G498 F499 M508 V510 N580 I581 | F497-W578 HydrophobicContact CD2-CB 4.14Å; F497-W578 AromaticContact CD2-CD1 3.85Å; F497-W578 HydrophobicContact CD2-CD2 4.08Å; F497-W578 AromaticContact CD2-CG 3.76Å; F497-W578 HydrophobicContact CD2-CG 3.76Å; F497-W578 HydrophobicContact CE2-CB 4.14Å; F497-W578 AromaticContact CE2-CD2 3.62Å; F497-W578 HydrophobicContact CE2-CD2 3.62Å; F497-W578 AromaticContact CE2-CE3 3.91Å; F497-W578 HydrophobicContact CE2-CE3 3.91Å; F497-W578 AromaticContact CE2-CG 3.73Å; F497-W578 HydrophobicContact CE2-CG 3.73Å; G498-W578 CarbonylContact O-C 3.48Å; F499-W578 HydrophobicContact CE1-CE3 4.22Å; M508-W578 PolarHBondContact O-N 3.4Å; V510-W578 HydrophobicContact CG1-CZ2 4.16Å; V510-W578 HydrophobicContact CG2-CD2 4.23Å; V510-W578 HydrophobicContact CG2-CG 4.33Å; W578-N580 PolarHBondContact O-N 3.28Å; W578-I581 HydrophobicContact CE3-CB 4.39Å; W578-I581 HydrophobicContact CE3-CG1 4.33Å; W578-I581 HydrophobicContact CZ3-CG1 4.3Å; W578-I581 WeakPolarHBondContact O-CB 3.21Å; W578-I581 VanDerWaalsContact O-CG2 3.24Å; W578-I581 WeakPolarHBondContact O-CG2 3.23Å; W578-I581 PolarHBondContact O-N 2.99Å; W578-I581 VanDerWaalsContact O-N 3.16Å |
| 579 | V | 87.9 | Confident | 89.6 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 5% | 0.048 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -60.2 | -25.2 | 175.6 | 61 | 0 | 0 | 0 | 0 | 113.5 | G498 S500 Y501 P507 F577 W582 | G498-V579 WeakPolarHBondContact O-CA 3.36Å; G498-V579 PolarHBondContact O-N 2.93Å; G498-V579 VanDerWaalsContact O-N 3.15Å; S500-V579 VanDerWaalsContact C-CG2 3.45Å; Y501-V579 HydrophobicContact CD1-CG1 4.42Å; Y501-V579 HydrophobicContact CD1-CG2 4.39Å; Y501-V579 HydrophobicContact CD2-CG2 3.53Å; Y501-V579 HydrophobicContact CE1-CG1 3.83Å; Y501-V579 HydrophobicContact CE1-CG2 4.4Å; Y501-V579 HydrophobicContact CE2-CB 4.45Å; Y501-V579 HydrophobicContact CE2-CG1 4.03Å; Y501-V579 HydrophobicContact CE2-CG2 3.52Å; Y501-V579 HydrophobicContact CG-CG2 3.98Å; P507-V579 HydrophobicContact CB-CG1 4.03Å; F577-V579 HydrophobicContact CB-CG1 3.78Å; F577-V579 PolarHBondContact O-N 3.29Å; V579-W582 PolarHBondContact O-NE1 2.88Å |
| 580 | N | 90.1 | Very high | 89.8 | Confident | 30 Ų | 30 | 38.3 Ų | 38.3 | 16% | 0.16 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -100.8 | 4.7 | -178.5 | -62.8 | -29.4 | 0 | 0 | 0 | 113.1 | Y501 F576 F577 W578 W582 F583 | Y501-N580 PolarHBondContact OH-ND2 2.87Å; Y501-N580 PolarHBondContact OH-OD1 3.48Å; F576-N580 HydrophobicContact CD1-CB 4.43Å; F576-N580 HydrophobicContact CE1-CB 3.65Å; F576-N580 WeakPolarHBondContact CE1-O 3.4Å; F576-N580 HydrophobicContact CE2-CB 4.01Å; F576-N580 HydrophobicContact CZ-CB 3.4Å; F576-N580 VanDerWaalsContact CZ-O 3.29Å; F576-N580 WeakPolarHBondContact CZ-O 3.31Å; F577-N580 PolarHBondContact O-N 3.29Å; W578-N580 PolarHBondContact O-N 3.28Å; N580-W582 PolarHBondContact O-N 3.37Å; N580-F583 HydrophobicContact CB-CD2 4.37Å; N580-F583 WeakPolarHBondContact O-CB 3.42Å; N580-F583 WeakPolarHBondContact O-CD2 3.36Å; N580-F583 PolarHBondContact O-N 3.34Å; N580-F583 VanDerWaalsContact O-N 3.07Å |
| 581 | I | 89.4 | Confident | 89.7 | Confident | 29 Ų | 29 | 39 Ų | 39 | 15% | 0.149 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -23.7 | -174.9 | -160.2 | 63.1 | 0 | 0 | 0 | 113.6 | F499 W578 F583 I584 | F499-I581 HydrophobicContact CD1-CG2 3.85Å; F499-I581 HydrophobicContact CE1-CG2 3.89Å; W578-I581 HydrophobicContact CE3-CB 4.39Å; W578-I581 HydrophobicContact CE3-CG1 4.33Å; W578-I581 HydrophobicContact CZ3-CG1 4.3Å; W578-I581 WeakPolarHBondContact O-CB 3.21Å; W578-I581 VanDerWaalsContact O-CG2 3.24Å; W578-I581 WeakPolarHBondContact O-CG2 3.23Å; W578-I581 PolarHBondContact O-N 2.99Å; W578-I581 VanDerWaalsContact O-N 3.16Å; I581-F583 PolarHBondContact O-N 3.02Å; I581-F583 VanDerWaalsContact O-N 3.13Å; I581-I584 HydrophobicContact CD1-CD1 3.97Å; I581-I584 PolarHBondContact O-N 2.93Å |
| 582 | W | 91.5 | Very high | 89.5 | Confident | 80 Ų | 80 | 44 Ų | 44 | 30% | 0.303 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.4 | -21.3 | 176.7 | 63.7 | -96 | 0 | 0 | 0 | 113.5 | F414 Y415 M418 V579 N580 I584 F585 V586 | F414-W582 AromaticContact CE1-CH2 3.87Å; F414-W582 HydrophobicContact CE1-CH2 3.87Å; F414-W582 HydrophobicContact CE1-CZ3 4.26Å; Y415-W582 HydrophobicContact CD2-CZ3 4.01Å; Y415-W582 HydrophobicContact CE2-CZ3 4.44Å; M418-W582 HydrophobicContact CG-CH2 4.22Å; V579-W582 PolarHBondContact O-NE1 2.88Å; N580-W582 PolarHBondContact O-N 3.37Å; W582-I584 VanDerWaalsContact C-N 3.26Å; W582-I584 PolarHBondContact O-N 2.92Å; W582-F585 PolarHBondContact O-N 3.3Å; W582-V586 HydrophobicContact CE3-CB 4.38Å; W582-V586 HydrophobicContact CE3-CG2 3.65Å; W582-V586 HydrophobicContact CZ3-CG2 4.02Å; W582-V586 WeakPolarHBondContact O-CG2 3.32Å; W582-V586 PolarHBondContact O-N 2.85Å |
| 583 | F | 93.5 | Very high | 89 | Confident | 15 Ų | 15 | 44 Ų | 44 | 7% | 0.066 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -53.4 | -43.1 | 175.3 | -90.1 | -121.8 | 0 | 0 | 0 | 112.1 | Y415 M418 W419 F576 N580 I581 F585 V586 A587 | Y415-F583 HydrophobicContact CD2-CD1 4.42Å; Y415-F583 HydrophobicContact CE2-CB 3.95Å; Y415-F583 AromaticContact CE2-CD1 3.42Å; Y415-F583 HydrophobicContact CE2-CD1 3.42Å; Y415-F583 VanDerWaalsContact CE2-CD1 3.42Å; Y415-F583 HydrophobicContact CE2-CD2 4.36Å; Y415-F583 AromaticContact CE2-CE1 3.94Å; Y415-F583 HydrophobicContact CE2-CE1 3.94Å; Y415-F583 AromaticContact CE2-CG 3.65Å; Y415-F583 HydrophobicContact CE2-CG 3.65Å; Y415-F583 AromaticContact CZ-CD1 3.93Å; Y415-F583 PolarHBondContact OH-O 3.34Å; M418-F583 HydrophobicContact CB-CZ 3.99Å; W419-F583 AromaticContact CD1-CE1 3.93Å; W419-F583 HydrophobicContact CD2-CE1 4.35Å; W419-F583 AromaticContact CE2-CD1 3.85Å; W419-F583 AromaticContact CE2-CE1 3.79Å; W419-F583 HydrophobicContact CG-CE1 4.43Å; W419-F583 AromaticContact CZ2-CD1 3.98Å; W419-F583 HydrophobicContact CZ2-CD1 3.98Å; W419-F583 HydrophobicContact CZ2-CE1 4.23Å; W419-F583 AromaticContact NE1-CD1 3.52Å; W419-F583 AromaticContact NE1-CE1 3.49Å; F576-F583 HydrophobicContact CZ-CB 4.27Å; F576-F583 HydrophobicContact CZ-CG 4.38Å; N580-F583 HydrophobicContact CB-CD2 4.37Å; N580-F583 WeakPolarHBondContact O-CB 3.42Å; N580-F583 WeakPolarHBondContact O-CD2 3.36Å; N580-F583 PolarHBondContact O-N 3.34Å; N580-F583 VanDerWaalsContact O-N 3.07Å; I581-F583 PolarHBondContact O-N 3.02Å; I581-F583 VanDerWaalsContact O-N 3.13Å; F583-F585 PolarHBondContact O-N 2.99Å; F583-V586 PolarHBondContact O-N 3.4Å; F583-A587 WeakPolarHBondContact O-CB 3.38Å; F583-A587 PolarHBondContact O-N 2.81Å |
| 584 | I | 93.3 | Very high | 89.2 | Confident | 30 Ų | 30 | 43.4 Ų | 43.4 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -45.4 | -179.1 | -62 | 178.6 | 0 | 0 | 0 | 110.6 | T567 I581 W582 A587 F588 | T567-I584 HydrophobicContact CG2-CD1 3.9Å; T567-I584 HydrophobicContact CG2-CG1 3.68Å; I581-I584 HydrophobicContact CD1-CD1 3.97Å; I581-I584 PolarHBondContact O-N 2.93Å; W582-I584 VanDerWaalsContact C-N 3.26Å; W582-I584 PolarHBondContact O-N 2.92Å; I584-A587 WeakPolarHBondContact O-CB 3.25Å; I584-A587 PolarHBondContact O-N 3.45Å; I584-F588 HydrophobicContact CG2-CD2 3.91Å; I584-F588 HydrophobicContact CG2-CE2 3.69Å; I584-F588 VanDerWaalsContact O-CD2 3.26Å; I584-F588 WeakPolarHBondContact O-CD2 3.38Å; I584-F588 PolarHBondContact O-N 3.09Å |
| 585 | F | 93.9 | Very high | 89.3 | Confident | 142 Ų | 142 | 42.2 Ų | 42.2 | 62% | 0.623 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -68.2 | -38.4 | -178.8 | -63 | -74.5 | 0 | 0 | 0 | 112.2 | W582 F583 F588 A589 | W582-F585 PolarHBondContact O-N 3.3Å; F583-F585 PolarHBondContact O-N 2.99Å; F585-F588 PolarHBondContact O-N 2.86Å; F585-A589 PolarHBondContact O-N 2.72Å |
| 586 | V | 94.7 | Very high | 89.2 | Confident | 19 Ų | 19 | 44.5 Ų | 44.5 | 12% | 0.115 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.3 | -43.2 | 173.5 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | L411 Y415 W582 F583 F588 A589 L590 | L411-V586 HydrophobicContact CD1-CG1 3.88Å; L411-V586 HydrophobicContact CD1-CG2 4.03Å; L411-V586 HydrophobicContact CD2-CG1 4.12Å; L411-V586 HydrophobicContact CG-CG1 3.86Å; Y415-V586 HydrophobicContact CD1-CG1 4.01Å; Y415-V586 HydrophobicContact CD2-CB 4.09Å; Y415-V586 HydrophobicContact CD2-CG1 3.57Å; Y415-V586 HydrophobicContact CE2-CB 4.26Å; Y415-V586 HydrophobicContact CE2-CG1 4.14Å; Y415-V586 HydrophobicContact CG-CB 4.46Å; Y415-V586 HydrophobicContact CG-CG1 3.5Å; W582-V586 HydrophobicContact CE3-CB 4.38Å; W582-V586 HydrophobicContact CE3-CG2 3.65Å; W582-V586 HydrophobicContact CZ3-CG2 4.02Å; W582-V586 WeakPolarHBondContact O-CG2 3.32Å; W582-V586 PolarHBondContact O-N 2.85Å; F583-V586 PolarHBondContact O-N 3.4Å; V586-F588 VanDerWaalsContact C-N 3.34Å; V586-F588 PolarHBondContact O-N 3.36Å; V586-A589 WeakPolarHBondContact O-CB 3.43Å; V586-A589 PolarHBondContact O-N 2.85Å; V586-A589 VanDerWaalsContact O-N 3.1Å; V586-L590 HydrophobicContact CG1-CD1 3.85Å; V586-L590 HydrophobicContact CG1-CG 4.14Å; V586-L590 VanDerWaalsContact O-CG 3.3Å; V586-L590 WeakPolarHBondContact O-CG 3.5Å; V586-L590 PolarHBondContact O-N 2.86Å |
| 587 | A | 94.8 | Very high | 89 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.4 | -46.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y415 S560 T563 I564 F583 I584 A589 L590 M591 | Y415-A587 HydrophobicContact CE1-CB 4.31Å; S560-A587 WeakPolarHBondContact CB-O 3.26Å; T563-A587 WeakPolarHBondContact OG1-CB 3.48Å; I564-A587 HydrophobicContact CD1-CB 3.94Å; I564-A587 HydrophobicContact CG1-CB 3.54Å; F583-A587 WeakPolarHBondContact O-CB 3.38Å; F583-A587 PolarHBondContact O-N 2.81Å; I584-A587 WeakPolarHBondContact O-CB 3.25Å; I584-A587 PolarHBondContact O-N 3.45Å; A587-A589 VanDerWaalsContact C-N 3.34Å; A587-A589 PolarHBondContact O-N 2.93Å; A587-L590 PolarHBondContact O-N 3.16Å; A587-M591 VanDerWaalsContact O-CG 3.27Å; A587-M591 WeakPolarHBondContact O-CG 3.16Å; A587-M591 PolarHBondContact O-N 3.27Å; A587-M591 VanDerWaalsContact O-N 3.08Å |
| 588 | F | 93 | Very high | 88.8 | Confident | 125 Ų | 125 | 47.6 Ų | 47.6 | 55% | 0.548 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.7 | -42.2 | 173.4 | -82.6 | -64.9 | 0 | 0 | 0 | 112.9 | I564 I584 F585 V586 L590 M591 | I564-F588 HydrophobicContact CD1-CD1 4.19Å; I564-F588 HydrophobicContact CD1-CD2 4.17Å; I564-F588 HydrophobicContact CD1-CE1 4.08Å; I564-F588 HydrophobicContact CD1-CE2 4.06Å; I564-F588 HydrophobicContact CD1-CG 4.23Å; I564-F588 HydrophobicContact CD1-CZ 4.01Å; I584-F588 HydrophobicContact CG2-CD2 3.91Å; I584-F588 HydrophobicContact CG2-CE2 3.69Å; I584-F588 VanDerWaalsContact O-CD2 3.26Å; I584-F588 WeakPolarHBondContact O-CD2 3.38Å; I584-F588 PolarHBondContact O-N 3.09Å; F585-F588 PolarHBondContact O-N 2.86Å; V586-F588 VanDerWaalsContact C-N 3.34Å; V586-F588 PolarHBondContact O-N 3.36Å; F588-L590 PolarHBondContact O-N 2.72Å; F588-M591 HydrophobicContact CD1-SD 4.18Å; F588-M591 WeakPolarHBondContact O-CB 3.35Å; F588-M591 PolarHBondContact O-N 2.98Å |
| 589 | A | 91.3 | Very high | 88.8 | Confident | 52 Ų | 52 | 44.1 Ų | 44.1 | 43% | 0.43 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.5 | -40.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L411 F585 V586 A587 M591 N592 | L411-A589 HydrophobicContact CD2-CB 4.41Å; F585-A589 PolarHBondContact O-N 2.72Å; V586-A589 WeakPolarHBondContact O-CB 3.43Å; V586-A589 PolarHBondContact O-N 2.85Å; V586-A589 VanDerWaalsContact O-N 3.1Å; A587-A589 VanDerWaalsContact C-N 3.34Å; A587-A589 PolarHBondContact O-N 2.93Å; A589-M591 VanDerWaalsContact C-N 3.31Å; A589-M591 PolarHBondContact O-N 3.37Å; A589-N592 WeakPolarHBondContact O-CB 3.3Å; A589-N592 PolarHBondContact O-N 3.43Å |
| 590 | L | 92.4 | Very high | 89 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.2 | -23.4 | -179.7 | -65.6 | 179.2 | 0 | 0 | 0 | 113.3 | L411 R412 Y415 L550 T556 V586 A587 F588 N592 S594 | L411-L590 HydrophobicContact CB-CD2 4.5Å; L411-L590 HydrophobicContact CD2-CD2 4.43Å; L411-L590 HydrophobicContact CG-CD2 4.31Å; R412-L590 HydrophobicContact CB-CD1 4.42Å; R412-L590 HydrophobicContact CB-CD2 3.66Å; R412-L590 HydrophobicContact CG-CD1 4.32Å; R412-L590 HydrophobicContact CG-CD2 4.1Å; Y415-L590 HydrophobicContact CD1-CD1 3.39Å; Y415-L590 HydrophobicContact CE1-CD1 4.23Å; Y415-L590 HydrophobicContact CG-CD1 3.94Å; L550-L590 HydrophobicContact CD2-CD1 4.41Å; T556-L590 HydrophobicContact CG2-CB 4.47Å; V586-L590 HydrophobicContact CG1-CD1 3.85Å; V586-L590 HydrophobicContact CG1-CG 4.14Å; V586-L590 VanDerWaalsContact O-CG 3.3Å; V586-L590 WeakPolarHBondContact O-CG 3.5Å; V586-L590 PolarHBondContact O-N 2.86Å; A587-L590 PolarHBondContact O-N 3.16Å; F588-L590 PolarHBondContact O-N 2.72Å; L590-N592 PolarHBondContact O-N 3.31Å; L590-N592 VanDerWaalsContact O-N 3.14Å; L590-S594 VanDerWaalsContact O-CB 3.31Å; L590-S594 WeakPolarHBondContact O-CB 3.5Å; L590-S594 PolarHBondContact O-N 3.32Å |
| 591 | M | 88.4 | Confident | 88.8 | Confident | 40 Ų | 40 | 46 Ų | 46 | 20% | 0.197 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -10.7 | 171.9 | -70.1 | 168.8 | 76.2 | 0 | 0 | 113.4 | W557 A561 I564 A587 F588 A589 G593 | W557-M591 HydrophobicContact CD2-CE 4.24Å; W557-M591 VanDerWaalsContact CE2-CE 3.49Å; W557-M591 HydrophobicContact CG-CG 4.48Å; W557-M591 HydrophobicContact CZ2-CE 3.66Å; A561-M591 HydrophobicContact CB-CE 4.35Å; I564-M591 HydrophobicContact CD1-SD 3.82Å; A587-M591 VanDerWaalsContact O-CG 3.27Å; A587-M591 WeakPolarHBondContact O-CG 3.16Å; A587-M591 PolarHBondContact O-N 3.27Å; A587-M591 VanDerWaalsContact O-N 3.08Å; F588-M591 HydrophobicContact CD1-SD 4.18Å; F588-M591 WeakPolarHBondContact O-CB 3.35Å; F588-M591 PolarHBondContact O-N 2.98Å; A589-M591 VanDerWaalsContact C-N 3.31Å; A589-M591 PolarHBondContact O-N 3.37Å; M591-G593 PolarHBondContact O-N 3.41Å |
| 592 | N | 83.6 | Confident | 88.5 | Confident | 113 Ų | 113 | 47 Ų | 47 | 60% | 0.604 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 30.4 | 175.1 | -162.6 | 16.1 | 0 | 0 | 0 | 114.1 | A589 L590 | A589-N592 WeakPolarHBondContact O-CB 3.3Å; A589-N592 PolarHBondContact O-N 3.43Å; L590-N592 PolarHBondContact O-N 3.31Å; L590-N592 VanDerWaalsContact O-N 3.14Å |
| 593 | G | 79.4 | Confident | 88.2 | Confident | 21 Ų | 21 | 49.9 Ų | 49.9 | 22% | 0.216 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 31.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R401 V405 M591 G595 R596 | R401-G593 PolarHBondContact NH1-O 2.84Å; V405-G593 WeakPolarHBondContact CG1-O 3.43Å; M591-G593 PolarHBondContact O-N 3.41Å; G593-G595 PolarHBondContact O-N 3.03Å; G593-R596 PolarHBondContact O-N 3.39Å; G593-R596 VanDerWaalsContact O-N 3.13Å |
| 594 | S | 86.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -53.1 | -38.6 | 178.3 | -176.2 | 0 | 0 | 0 | 0 | 113.1 | V405 S408 R412 L590 R596 A597 | V405-S594 VanDerWaalsContact CG1-CA 3.43Å; S408-S594 WeakPolarHBondContact OG-CB 3.47Å; S408-S594 PolarHBondContact OG-OG 3.26Å; R412-S594 WeakPolarHBondContact CD-OG 3.49Å; R412-S594 PolarHBondContact NH1-O 3Å; L590-S594 VanDerWaalsContact O-CB 3.31Å; L590-S594 WeakPolarHBondContact O-CB 3.5Å; L590-S594 PolarHBondContact O-N 3.32Å; S594-R596 PolarHBondContact O-N 2.95Å; S594-R596 VanDerWaalsContact O-N 3.09Å; S594-A597 PolarHBondContact O-N 3.21Å |
| 595 | G | 84.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -58.9 | -23 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | T556 G593 A597 G599 D601 | T556-G595 WeakPolarHBondContact OG1-CA 3.23Å; T556-G595 PolarHBondContact OG1-N 3.05Å; G593-G595 PolarHBondContact O-N 3.03Å; G595-A597 VanDerWaalsContact C-N 3.31Å; G595-G599 CarbonylContact O-C 3.55Å; G595-G599 WeakPolarHBondContact O-CA 3.42Å; G595-G599 PolarHBondContact O-N 3.09Å; G595-D601 WeakPolarHBondContact CA-OD2 3.46Å |
| 596 | R | 81.4 | Confident | 86.4 | Confident | 108 Ų | 108 | 46.2 Ų | 46.2 | 41% | 0.408 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -78.2 | -18.3 | 179.4 | -64.4 | -177.8 | 176.3 | 175.7 | -0.2 | 112.7 | G593 S594 D601 | G593-R596 PolarHBondContact O-N 3.39Å; G593-R596 VanDerWaalsContact O-N 3.13Å; S594-R596 PolarHBondContact O-N 2.95Å; S594-R596 VanDerWaalsContact O-N 3.09Å; R596-D601 HydrophobicContact CG-CB 4.13Å |
| 597 | A | 82.7 | Confident | 85.8 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -92.7 | 114.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | V405 L406 V409 R412 S594 G595 G599 | V405-A597 HydrophobicContact CB-CB 4.46Å; V405-A597 HydrophobicContact CG1-CB 4.02Å; L406-A597 HydrophobicContact CD2-CB 4.25Å; V409-A597 HydrophobicContact CG2-CB 3.73Å; V409-A597 VanDerWaalsContact CG2-O 3.29Å; V409-A597 WeakPolarHBondContact CG2-O 3.44Å; R412-A597 PolarHBondContact NH1-O 3.44Å; S594-A597 PolarHBondContact O-N 3.21Å; G595-A597 VanDerWaalsContact C-N 3.31Å; A597-G599 PolarHBondContact O-N 3.42Å; A597-G599 VanDerWaalsContact O-N 3.13Å |
| 598 | L | 84.8 | Confident | 84.9 | Confident | 103 Ų | 103 | 55.2 Ų | 55.2 | 54% | 0.539 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 44.4 | 46.4 | -175.9 | -58.8 | 177.9 | 0 | 0 | 0 | 113.1 | H398 L406 V409 R412 | H398-L598 HydrophobicContact CB-CD2 4.17Å; L406-L598 HydrophobicContact CD2-CG 4.4Å; V409-L598 HydrophobicContact CG1-CB 4.37Å; V409-L598 HydrophobicContact CG1-CD1 4.44Å; V409-L598 HydrophobicContact CG2-CB 4.36Å; R412-L598 PolarHBondContact NH2-O 3.05Å |
| 599 | G | 88.5 | Confident | 83.9 | Confident | 4 Ų | 4 | 54.8 Ų | 54.8 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -150.6 | 163.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | F552 G595 A597 D601 R602 | F552-G599 CarbonylContact O-C 3.58Å; F552-G599 WeakPolarHBondContact O-CA 3.26Å; G595-G599 CarbonylContact O-C 3.55Å; G595-G599 WeakPolarHBondContact O-CA 3.42Å; G595-G599 PolarHBondContact O-N 3.09Å; A597-G599 PolarHBondContact O-N 3.42Å; A597-G599 VanDerWaalsContact O-N 3.13Å; G599-D601 VanDerWaalsContact C-N 3.27Å; G599-D601 PolarHBondContact O-N 3.46Å; G599-R602 WeakPolarHBondContact O-CB 3.44Å; G599-R602 PolarHBondContact O-N 3.42Å |
| 600 | L | 91.9 | Very high | 82.9 | Confident | 68 Ų | 68 | 60 Ų | 60 | 36% | 0.356 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -24.8 | -171.5 | -67.8 | 176.1 | 0 | 0 | 0 | 113.5 | F552 G553 L554 R602 W603 V604 | F552-L600 HydrophobicContact CB-CD1 4.03Å; F552-L600 HydrophobicContact CB-CG 4.44Å; F552-L600 PolarHBondContact O-N 3.01Å; G553-L600 PolarHBondContact O-N 2.95Å; G553-L600 VanDerWaalsContact O-N 3.13Å; L554-L600 HydrophobicContact CB-CB 4.04Å; L554-L600 HydrophobicContact CB-CD1 4.13Å; L554-L600 HydrophobicContact CD1-CB 4.03Å; L554-L600 HydrophobicContact CD2-CD1 4.38Å; L600-R602 PolarHBondContact O-N 3.25Å; L600-W603 HydrophobicContact CD2-CE3 4.14Å; L600-W603 HydrophobicContact CD2-CZ3 4.21Å; L600-W603 PolarHBondContact O-N 3.02Å; L600-V604 HydrophobicContact CB-CG2 4.34Å; L600-V604 WeakPolarHBondContact O-CG2 3.29Å; L600-V604 PolarHBondContact O-N 2.84Å |
| 601 | D | 86 | Confident | 81.8 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 5% | 0.053 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.1 | -24.5 | 176.6 | -76 | -26.9 | 0 | 0 | 0 | 112.7 | G553 F555 T556 G595 R596 G599 W603 I605 P606 | G553-D601 WeakPolarHBondContact O-CB 3.47Å; G553-D601 PolarHBondContact O-N 3.36Å; F555-D601 WeakPolarHBondContact CA-OD1 3.44Å; F555-D601 PolarHBondContact N-OD1 3.06Å; T556-D601 WeakPolarHBondContact CB-OD2 3.48Å; T556-D601 PolarHBondContact N-OD2 3.44Å; T556-D601 PolarHBondContact OG1-OD2 3.33Å; G595-D601 WeakPolarHBondContact CA-OD2 3.46Å; R596-D601 HydrophobicContact CG-CB 4.13Å; G599-D601 VanDerWaalsContact C-N 3.27Å; G599-D601 PolarHBondContact O-N 3.46Å; D601-W603 VanDerWaalsContact C-N 3.27Å; D601-W603 PolarHBondContact O-N 3.01Å; D601-I605 HydrophobicContact CB-CG1 3.76Å; D601-I605 VanDerWaalsContact O-CB 3.28Å; D601-I605 WeakPolarHBondContact O-CB 3.44Å; D601-I605 WeakPolarHBondContact O-CG1 3.39Å; D601-I605 PolarHBondContact O-N 2.81Å; D601-I605 VanDerWaalsContact O-N 3.14Å; D601-P606 WeakPolarHBondContact O-CD 3.3Å |
| 602 | R | 82.9 | Confident | 80.7 | Confident | 50 Ų | 50 | 64.4 Ų | 64.4 | 19% | 0.189 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.8 | -36.8 | 174.5 | -173.3 | -179.5 | -178.7 | 87 | 7 | 112.5 | D391 R396 G397 H398 G599 L600 P606 | D391-R602 VanDerWaalsContact CG-NH2 3.33Å; D391-R602 IonicContact OD1-NH2 2.76Å; D391-R602 PolarHBondContact OD1-NH2 3.24Å; D391-R602 VanDerWaalsContact OD1-NH2 3.1Å; D391-R602 IonicContact OD2-NH2 2.62Å; D391-R602 PolarHBondContact OD2-NH2 2.72Å; R396-R602 PolarHBondContact O-NH2 3.28Å; G397-R602 VanDerWaalsContact C-CZ 3.49Å; G397-R602 VanDerWaalsContact C-NH1 3.34Å; G397-R602 VanDerWaalsContact CA-NH2 3.31Å; G397-R602 PolarHBondContact O-NH1 3.31Å; G397-R602 PolarHBondContact O-NH2 3.13Å; H398-R602 WeakPolarHBondContact CE1-CD 3.36Å; H398-R602 WeakPolarHBondContact ND1-CD 3.5Å; G599-R602 WeakPolarHBondContact O-CB 3.44Å; G599-R602 PolarHBondContact O-N 3.42Å; L600-R602 PolarHBondContact O-N 3.25Å; R602-P606 VanDerWaalsContact O-CD 3.23Å; R602-P606 WeakPolarHBondContact O-CD 3.44Å; R602-P606 VanDerWaalsContact O-CG 3.26Å; R602-P606 WeakPolarHBondContact O-CG 3.45Å |
| 603 | W | 84.7 | Confident | 79.4 | Confident | 140 Ų | 140 | 60.1 Ų | 60.1 | 53% | 0.53 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -100.2 | -43.7 | -179.2 | -58.9 | -73.9 | 0 | 0 | 0 | 111.5 | H398 L600 D601 W607 | H398-W603 AromaticContact CE1-CH2 3.62Å; H398-W603 AromaticContact CE1-CZ2 3.6Å; H398-W603 AromaticContact NE2-CH2 3.89Å; H398-W603 AromaticContact NE2-CZ2 3.56Å; L600-W603 HydrophobicContact CD2-CE3 4.14Å; L600-W603 HydrophobicContact CD2-CZ3 4.21Å; L600-W603 PolarHBondContact O-N 3.02Å; D601-W603 VanDerWaalsContact C-N 3.27Å; D601-W603 PolarHBondContact O-N 3.01Å; W603-W607 WeakPolarHBondContact O-CB 3.37Å; W603-W607 PolarHBondContact O-N 3.32Å |
| 604 | V | 86.5 | Confident | 78.1 | Confident | 36 Ų | 36 | 65.4 Ų | 65.4 | 22% | 0.218 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.2 | -45.6 | -174.3 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | L554 F555 L600 W607 I608 | L554-V604 HydrophobicContact CD1-CB 4.02Å; L554-V604 HydrophobicContact CD1-CG1 3.92Å; L554-V604 HydrophobicContact CD1-CG2 3.82Å; F555-V604 HydrophobicContact CE1-CG1 3.99Å; F555-V604 HydrophobicContact CZ-CG1 3.91Å; L600-V604 HydrophobicContact CB-CG2 4.34Å; L600-V604 WeakPolarHBondContact O-CG2 3.29Å; L600-V604 PolarHBondContact O-N 2.84Å; V604-W607 PolarHBondContact O-N 2.89Å; V604-I608 HydrophobicContact CG1-CD1 3.67Å; V604-I608 HydrophobicContact CG1-CG1 4.24Å; V604-I608 VanDerWaalsContact O-CG1 3.3Å; V604-I608 WeakPolarHBondContact O-CG1 3.47Å; V604-I608 PolarHBondContact O-N 2.71Å |
| 605 | I | 81.9 | Confident | 76.4 | Confident | 39 Ų | 39 | 74.3 Ų | 74.3 | 20% | 0.2 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.8 | -48.9 | -177.4 | -56.8 | -61.7 | 0 | 0 | 0 | 111.7 | F555 D601 W607 I608 Q609 | F555-I605 HydrophobicContact CD1-CD1 4.07Å; F555-I605 HydrophobicContact CE1-CD1 4.21Å; D601-I605 HydrophobicContact CB-CG1 3.76Å; D601-I605 VanDerWaalsContact O-CB 3.28Å; D601-I605 WeakPolarHBondContact O-CB 3.44Å; D601-I605 WeakPolarHBondContact O-CG1 3.39Å; D601-I605 PolarHBondContact O-N 2.81Å; D601-I605 VanDerWaalsContact O-N 3.14Å; I605-W607 VanDerWaalsContact C-N 3.27Å; I605-W607 PolarHBondContact O-N 2.82Å; I605-I608 PolarHBondContact O-N 2.95Å; I605-Q609 HydrophobicContact CG2-CG 4.34Å; I605-Q609 WeakPolarHBondContact O-CB 3.25Å; I605-Q609 VanDerWaalsContact O-CG 3.28Å; I605-Q609 WeakPolarHBondContact O-CG 3.44Å; I605-Q609 PolarHBondContact O-N 2.87Å |
| 606 | P | 75.3 | Confident | 74.5 | Confident | 36 Ų | 36 | 75 Ų | 75 | 23% | 0.234 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.1 | -29.7 | 174.9 | -25.5 | 37.8 | 0 | 0 | 0 | 113.6 | D601 R602 R610 | D601-P606 WeakPolarHBondContact O-CD 3.3Å; R602-P606 VanDerWaalsContact O-CD 3.23Å; R602-P606 WeakPolarHBondContact O-CD 3.44Å; R602-P606 VanDerWaalsContact O-CG 3.26Å; R602-P606 WeakPolarHBondContact O-CG 3.45Å; P606-R610 VanDerWaalsContact O-CB 3.3Å; P606-R610 WeakPolarHBondContact O-CB 3.12Å; P606-R610 WeakPolarHBondContact O-CG 3.33Å; P606-R610 PolarHBondContact O-N 2.8Å; P606-R610 PolarHBondContact O-NE 3.49Å |
| 607 | W | 80.3 | Confident | 72.6 | Confident | 155 Ų | 155 | 74 Ų | 74 | 59% | 0.587 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.5 | -48.7 | 173.1 | 174 | 77 | 0 | 0 | 0 | 110.7 | W603 V604 I605 Q609 R610 T611 | W603-W607 WeakPolarHBondContact O-CB 3.37Å; W603-W607 PolarHBondContact O-N 3.32Å; V604-W607 PolarHBondContact O-N 2.89Å; I605-W607 VanDerWaalsContact C-N 3.27Å; I605-W607 PolarHBondContact O-N 2.82Å; W607-Q609 VanDerWaalsContact C-N 3.34Å; W607-Q609 PolarHBondContact O-N 3.47Å; W607-R610 PolarHBondContact O-N 2.74Å; W607-R610 VanDerWaalsContact O-N 3.14Å; W607-T611 PolarHBondContact NE1-OG1 2.98Å; W607-T611 WeakPolarHBondContact O-CB 3.45Å; W607-T611 PolarHBondContact O-N 3.08Å; W607-T611 PolarHBondContact O-OG1 3.36Å |
| 608 | I | 75.9 | Confident | 70.7 | Confident | 52 Ų | 52 | 78.6 Ų | 78.6 | 27% | 0.267 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.5 | -48.4 | 173.3 | -68.6 | 170.1 | 0 | 0 | 0 | 110.1 | F555 V604 I605 R610 T611 V612 | F555-I608 HydrophobicContact CE1-CD1 3.58Å; F555-I608 HydrophobicContact CZ-CD1 3.93Å; V604-I608 HydrophobicContact CG1-CD1 3.67Å; V604-I608 HydrophobicContact CG1-CG1 4.24Å; V604-I608 VanDerWaalsContact O-CG1 3.3Å; V604-I608 WeakPolarHBondContact O-CG1 3.47Å; V604-I608 PolarHBondContact O-N 2.71Å; I605-I608 PolarHBondContact O-N 2.95Å; I608-R610 VanDerWaalsContact C-N 3.27Å; I608-R610 PolarHBondContact O-N 3.3Å; I608-T611 PolarHBondContact O-N 3.45Å; I608-V612 HydrophobicContact CG2-CG2 3.79Å; I608-V612 WeakPolarHBondContact O-CA 3.25Å; I608-V612 WeakPolarHBondContact O-CB 3.13Å; I608-V612 VanDerWaalsContact O-CG2 3.27Å; I608-V612 WeakPolarHBondContact O-CG2 3.12Å; I608-V612 PolarHBondContact O-N 3.24Å |
| 609 | Q | 73.6 | Confident | 68.6 | Low | 117 Ų | 117 | 83.7 Ų | 83.7 | 55% | 0.547 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.5 | -35.1 | 178.1 | -73.2 | 176.4 | -34.1 | 0 | 0 | 112.8 | I605 W607 G613 | I605-Q609 HydrophobicContact CG2-CG 4.34Å; I605-Q609 WeakPolarHBondContact O-CB 3.25Å; I605-Q609 VanDerWaalsContact O-CG 3.28Å; I605-Q609 WeakPolarHBondContact O-CG 3.44Å; I605-Q609 PolarHBondContact O-N 2.87Å; W607-Q609 VanDerWaalsContact C-N 3.34Å; W607-Q609 PolarHBondContact O-N 3.47Å; Q609-G613 WeakPolarHBondContact O-CA 3.26Å; Q609-G613 PolarHBondContact O-N 2.88Å |
| 610 | R | 68.9 | Low | 66.3 | Low | 161 Ų | 161 | 89 Ų | 89 | 61% | 0.608 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -75.6 | -40.9 | 174.9 | -81.9 | -178.6 | -96.2 | 158.9 | -12 | 112.4 | P606 W607 I608 K614 | P606-R610 VanDerWaalsContact O-CB 3.3Å; P606-R610 WeakPolarHBondContact O-CB 3.12Å; P606-R610 WeakPolarHBondContact O-CG 3.33Å; P606-R610 PolarHBondContact O-N 2.8Å; P606-R610 PolarHBondContact O-NE 3.49Å; W607-R610 PolarHBondContact O-N 2.74Å; W607-R610 VanDerWaalsContact O-N 3.14Å; I608-R610 VanDerWaalsContact C-N 3.27Å; I608-R610 PolarHBondContact O-N 3.3Å; R610-K614 WeakPolarHBondContact O-CB 3.03Å; R610-K614 WeakPolarHBondContact O-CG 3.43Å; R610-K614 PolarHBondContact O-N 3.23Å |
| 611 | T | 69.5 | Low | 63.8 | Low | 65 Ų | 65 | 89 Ų | 89 | 40% | 0.399 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -71.4 | -51.9 | -179.2 | -58.7 | 0 | 0 | 0 | 0 | 110.2 | W607 I608 G613 K614 W615 | W607-T611 PolarHBondContact NE1-OG1 2.98Å; W607-T611 WeakPolarHBondContact O-CB 3.45Å; W607-T611 PolarHBondContact O-N 3.08Å; W607-T611 PolarHBondContact O-OG1 3.36Å; I608-T611 PolarHBondContact O-N 3.45Å; T611-G613 VanDerWaalsContact C-N 3.33Å; T611-K614 PolarHBondContact O-N 2.97Å; T611-W615 WeakPolarHBondContact O-CB 3.49Å; T611-W615 PolarHBondContact O-N 2.98Å |
| 612 | V | 65.7 | Low | 61.8 | Low | 67 Ų | 67 | 93.2 Ų | 93.2 | 41% | 0.406 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 171.8 | 178.6 | 0 | 0 | 0 | 0 | 110 | I608 K614 W615 C616 | I608-V612 HydrophobicContact CG2-CG2 3.79Å; I608-V612 WeakPolarHBondContact O-CA 3.25Å; I608-V612 WeakPolarHBondContact O-CB 3.13Å; I608-V612 VanDerWaalsContact O-CG2 3.27Å; I608-V612 WeakPolarHBondContact O-CG2 3.12Å; I608-V612 PolarHBondContact O-N 3.24Å; V612-K614 PolarHBondContact O-N 3.42Å; V612-W615 CarbonylContact O-C 3.58Å; V612-W615 PolarHBondContact O-N 3.37Å; V612-C616 WeakPolarHBondContact O-CA 3.49Å; V612-C616 WeakPolarHBondContact O-CB 3.17Å; V612-C616 PolarHBondContact O-N 3.24Å; V612-C616 PolarHBondContact O-SG 2.84Å |
| 613 | G | 55.5 | Low | 60.1 | Low | 24 Ų | 24 | 93.5 Ų | 93.5 | 25% | 0.247 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q609 T611 L617 | Q609-G613 WeakPolarHBondContact O-CA 3.26Å; Q609-G613 PolarHBondContact O-N 2.88Å; T611-G613 VanDerWaalsContact C-N 3.33Å; G613-L617 WeakPolarHBondContact O-CA 3.49Å; G613-L617 WeakPolarHBondContact O-CB 3.34Å; G613-L617 PolarHBondContact O-N 3.45Å |
| 614 | K | 52.9 | Low | 58.3 | Low | 131 Ų | 131 | 90.8 Ų | 90.8 | 57% | 0.57 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -68.7 | -35.4 | 173.6 | -77.8 | 176.5 | 177.5 | -167.5 | 0 | 112.6 | R610 T611 V612 L617 | R610-K614 WeakPolarHBondContact O-CB 3.03Å; R610-K614 WeakPolarHBondContact O-CG 3.43Å; R610-K614 PolarHBondContact O-N 3.23Å; T611-K614 PolarHBondContact O-N 2.97Å; V612-K614 PolarHBondContact O-N 3.42Å; K614-L617 CarbonylContact C-O 3.56Å; K614-L617 WeakPolarHBondContact CA-O 3.21Å; K614-L617 CarbonylContact O-C 3.4Å |
| 615 | W | 50.7 | Low | 57 | Low | 187 Ų | 187 | 91.9 Ų | 91.9 | 71% | 0.708 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -72.9 | -37 | 177.8 | -176.4 | 76.1 | 0 | 0 | 0 | 111.7 | T611 V612 | T611-W615 WeakPolarHBondContact O-CB 3.49Å; T611-W615 PolarHBondContact O-N 2.98Å; V612-W615 CarbonylContact O-C 3.58Å; V612-W615 PolarHBondContact O-N 3.37Å |
| 616 | C | 45.6 | Very low | 56.3 | Low | 14 Ų | 14 | 92.9 Ų | 92.9 | 10% | 0.095 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -81.6 | -40.5 | 178.4 | -71.2 | 0 | 0 | 0 | 0 | 112.5 | V612 T693 I694 | V612-C616 WeakPolarHBondContact O-CA 3.49Å; V612-C616 WeakPolarHBondContact O-CB 3.17Å; V612-C616 PolarHBondContact O-N 3.24Å; V612-C616 PolarHBondContact O-SG 2.84Å; C616-T693 WeakPolarHBondContact CA-OG1 3.36Å; C616-T693 WeakPolarHBondContact CB-OG1 3.42Å; C616-T693 PolarHBondContact O-OG1 2.88Å; C616-I694 HydrophobicContact CB-CD1 4.1Å; C616-I694 HydrophobicContact CB-CG1 4.29Å |
| 617 | L | 41.8 | Very low | 56.2 | Low | 87 Ų | 87 | 91.1 Ų | 91.1 | 46% | 0.455 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -111 | 94.2 | 175.2 | -57.2 | 155.6 | 0 | 0 | 0 | 106.4 | G613 K614 R619 | G613-L617 WeakPolarHBondContact O-CA 3.49Å; G613-L617 WeakPolarHBondContact O-CB 3.34Å; G613-L617 PolarHBondContact O-N 3.45Å; K614-L617 CarbonylContact C-O 3.56Å; K614-L617 WeakPolarHBondContact CA-O 3.21Å; K614-L617 CarbonylContact O-C 3.4Å; L617-R619 HydrophobicContact CB-CG 4.32Å; L617-R619 PolarHBondContact O-N 3.46Å |
| 618 | N | 42.2 | Very low | 55.9 | Low | 105 Ų | 105 | 84.8 Ų | 84.8 | 56% | 0.561 | 43% | 0.432 | S | S | * | . | trans | -60.1 | 71.4 | 175.3 | -100.3 | -11.7 | 0 | 0 | 0 | 111.5 | T620 | N618-T620 PolarHBondContact O-N 2.74Š| ||
| 619 | R | 39.6 | Very low | 55.9 | Low | 209 Ų | 209 | 82.3 Ų | 82.3 | 79% | 0.789 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 8.7 | 179.1 | -77.9 | -165.3 | 174.7 | -156.5 | 0.2 | 113.3 | L617 | L617-R619 HydrophobicContact CB-CG 4.32Å; L617-R619 PolarHBondContact O-N 3.46Å |
| 620 | T | 40.8 | Very low | 55.8 | Low | 116 Ų | 116 | 78.3 Ų | 78.3 | 71% | 0.712 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -11.9 | 177.5 | 44.4 | 0 | 0 | 0 | 0 | 114 | N618 S622 | N618-T620 PolarHBondContact O-N 2.74Å; T620-S622 PolarHBondContact O-N 2.94Å |
| 621 | A | 40.3 | Very low | 55.9 | Low | 67 Ų | 67 | 72 Ų | 72 | 55% | 0.554 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -84.7 | 101.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||
| 622 | S | 44.3 | Very low | 55.9 | Low | 99 Ų | 99 | 76.7 Ų | 76.7 | 69% | 0.692 | 41% | 0.406 | S | S | * | . | trans | -44 | 126.8 | 151.6 | -64.4 | 0 | 0 | 0 | 0 | 106 | T620 M624 | T620-S622 PolarHBondContact O-N 2.94Å; S622-M624 PolarHBondContact O-N 2.95Å | ||
| 623 | P | 46.1 | Very low | 55.8 | Low | 56 Ų | 56 | 77 Ų | 77 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | trans | -59.1 | 123.4 | -167.3 | 9.5 | -9.6 | 0 | 0 | 0 | 107.4 | Q625 W686 | P623-Q625 PolarHBondContact O-N 3.28Å; P623-W686 HydrophobicContact CB-CB 4.01Å; P623-W686 HydrophobicContact CB-CD2 3.95Å; P623-W686 HydrophobicContact CB-CE3 3.22Å; P623-W686 HydrophobicContact CB-CG 4.35Å; P623-W686 HydrophobicContact CB-CZ3 3.81Å; P623-W686 HydrophobicContact CG-CD2 3.9Å; P623-W686 HydrophobicContact CG-CE3 3.22Å; P623-W686 HydrophobicContact CG-CH2 4.23Å; P623-W686 HydrophobicContact CG-CZ3 3.36Å; P623-W686 VanDerWaalsContact O-CE3 3.29Å; P623-W686 VanDerWaalsContact O-CZ3 3.26Å; P623-W686 WeakPolarHBondContact O-CZ3 3.48Å | ||
| 624 | M | 46.8 | Very low | 56.5 | Low | 83 Ų | 83 | 83 Ų | 83 | 41% | 0.409 | 44% | 0.444 | S | S | . | . | trans | -56.1 | 115.4 | -170.5 | -80.9 | 175.2 | 66.5 | 0 | 0 | 107.7 | S622 E626 | S622-M624 PolarHBondContact O-N 2.95Å; M624-E626 HydrophobicContact CB-CG 4.39Å; M624-E626 HydrophobicContact CE-CG 4.22Å; M624-E626 WeakPolarHBondContact CE-OE1 3.28Å; M624-E626 PolarHBondContact O-N 3Å | ||
| 625 | Q | 58.9 | Low | 57.6 | Low | 59 Ų | 59 | 83.4 Ų | 83.4 | 28% | 0.276 | 45% | 0.448 | S | S | . | . | trans | -79.6 | 105.1 | 168.2 | -86.1 | -174 | -13.4 | 0 | 0 | 106.2 | P623 L641 W686 | P623-Q625 PolarHBondContact O-N 3.28Å; Q625-L641 HydrophobicContact CB-CB 4.1Å; Q625-L641 WeakPolarHBondContact O-CA 3.16Å; Q625-L641 WeakPolarHBondContact O-CB 3.49Å; Q625-L641 PolarHBondContact O-N 2.8Å; Q625-W686 HydrophobicContact CG-CE3 4.24Å; Q625-W686 HydrophobicContact CG-CH2 4.45Å; Q625-W686 HydrophobicContact CG-CZ3 3.97Å | ||
| 626 | E | 67.7 | Low | 59 | Low | 60 Ų | 60 | 77.6 Ų | 77.6 | 28% | 0.28 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 149.7 | 169.6 | -67 | -177.2 | 162.8 | 0 | 0 | 109.7 | M624 T638 F639 R683 | M624-E626 HydrophobicContact CB-CG 4.39Å; M624-E626 HydrophobicContact CE-CG 4.22Å; M624-E626 WeakPolarHBondContact CE-OE1 3.28Å; M624-E626 PolarHBondContact O-N 3Å; E626-T638 HydrophobicContact CB-CG2 3.89Å; E626-T638 HydrophobicContact CG-CG2 4.06Å; E626-T638 WeakPolarHBondContact OE2-CG2 3.37Å; E626-F639 CarbonylContact C-O 3.31Å; E626-F639 VanDerWaalsContact CA-O 3.27Å; E626-F639 WeakPolarHBondContact CA-O 3.2Å; E626-R683 VanDerWaalsContact O-O 3.12Å |
| 627 | A | 72.9 | Confident | 60.7 | Low | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 128 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | F639 L641 I669 V682 | A627-F639 HydrophobicContact CB-CB 4.36Å; A627-F639 PolarHBondContact N-O 3.46Å; A627-F639 WeakPolarHBondContact O-CD2 3.31Å; A627-F639 PolarHBondContact O-N 3.19Å; A627-L641 HydrophobicContact CB-CD1 3.91Å; A627-L641 HydrophobicContact CB-CG 4.3Å; A627-I669 HydrophobicContact CB-CB 4.42Å; A627-I669 HydrophobicContact CB-CD1 3.67Å; A627-I669 HydrophobicContact CB-CG2 3.88Å; A627-V682 HydrophobicContact CB-CG1 3.63Å |
| 628 | V | 74.9 | Confident | 62.5 | Low | 21 Ų | 21 | 79.5 Ų | 79.5 | 13% | 0.127 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.9 | 178.6 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | E635 T638 C681 | V628-E635 HydrophobicContact CG1-CB 4.02Å; V628-E635 HydrophobicContact CG1-CG 3.72Å; V628-T638 HydrophobicContact CG2-CG2 4.17Å; V628-C681 VanDerWaalsContact O-O 3.14Å |
| 629 | L | 75.8 | Confident | 64.3 | Low | 1 Ų | 1 | 74.5 Ų | 74.5 | 1% | 0.005 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 120.4 | 164.9 | 171.4 | 66.2 | 0 | 0 | 0 | 108.4 | I636 K637 F639 Y650 Y652 I662 I680 | L629-I636 HydrophobicContact CD2-CB 4.37Å; L629-I636 HydrophobicContact CD2-CG2 4.38Å; L629-I636 HydrophobicContact CG-CB 4.33Å; L629-I636 PolarHBondContact O-N 3.46Å; L629-K637 HydrophobicContact CB-CB 4.47Å; L629-K637 PolarHBondContact N-O 3.35Å; L629-K637 PolarHBondContact O-N 2.91Å; L629-F639 HydrophobicContact CB-CE2 3.89Å; L629-Y650 HydrophobicContact CD2-CE1 3.95Å; L629-Y652 HydrophobicContact CD2-CD2 4.22Å; L629-Y652 HydrophobicContact CD2-CG 4.08Å; L629-I662 HydrophobicContact CD1-CD1 3.96Å; L629-I662 HydrophobicContact CD2-CD1 3.91Å; L629-I662 HydrophobicContact CG-CD1 4.39Å; L629-I680 HydrophobicContact CD1-CB 4.1Å; L629-I680 HydrophobicContact CD1-CD1 3.56Å; L629-I680 HydrophobicContact CD1-CG1 3.53Å; L629-I680 HydrophobicContact CD1-CG2 3.44Å; L629-I680 VanDerWaalsContact CD1-CG2 3.44Å |
| 630 | S | 70.5 | Confident | 66 | Low | 32 Ų | 32 | 67.5 Ų | 67.5 | 22% | 0.224 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 139.7 | 173 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | G633 Q634 | S630-G633 WeakPolarHBondContact OG-CA 3.29Å; S630-Q634 WeakPolarHBondContact CA-O 3.39Å; S630-Q634 WeakPolarHBondContact CB-O 3.37Å; S630-Q634 VanDerWaalsContact OG-C 3.26Å; S630-Q634 PolarHBondContact OG-N 2.95Å; S630-Q634 PolarHBondContact OG-O 3.49Å |
| 631 | V | 71.2 | Confident | 67.7 | Low | 29 Ų | 29 | 62.1 Ų | 62.1 | 18% | 0.176 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 134.5 | 168.2 | 179.2 | 0 | 0 | 0 | 0 | 107 | G633 Q634 I636 Y652 | V631-G633 PolarHBondContact O-N 3.37Å; V631-Q634 PolarHBondContact N-O 3.04Å; V631-Q634 VanDerWaalsContact N-O 3.17Å; V631-Q634 PolarHBondContact O-N 3.07Å; V631-I636 HydrophobicContact CB-CD1 3.77Å; V631-I636 HydrophobicContact CG2-CD1 3.6Å; V631-Y652 HydrophobicContact CG2-CE1 3.75Å |
| 632 | D | 69.1 | Low | 69 | Low | 163 Ų | 163 | 62 Ų | 62 | 87% | 0.872 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 31.7 | -176.8 | -63.5 | -32.2 | 0 | 0 | 0 | 115.4 | Q634 | D632-Q634 VanDerWaalsContact C-N 3.25Å; D632-Q634 PolarHBondContact O-N 3.05Å |
| 633 | G | 65.1 | Low | 70.4 | Confident | 74 Ų | 74 | 60 Ų | 60 | 76% | 0.763 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | -0.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S630 V631 | S630-G633 WeakPolarHBondContact OG-CA 3.29Å; V631-G633 PolarHBondContact O-N 3.37Å |
| 634 | Q | 69.7 | Low | 71.8 | Confident | 149 Ų | 149 | 64.9 Ų | 64.9 | 70% | 0.696 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 130.7 | 171.2 | -166.3 | 173.6 | 7.2 | 0 | 0 | 110.3 | S630 V631 D632 I636 | S630-Q634 WeakPolarHBondContact CA-O 3.39Å; S630-Q634 WeakPolarHBondContact CB-O 3.37Å; S630-Q634 VanDerWaalsContact OG-C 3.26Å; S630-Q634 PolarHBondContact OG-N 2.95Å; S630-Q634 PolarHBondContact OG-O 3.49Å; V631-Q634 PolarHBondContact N-O 3.04Å; V631-Q634 VanDerWaalsContact N-O 3.17Å; V631-Q634 PolarHBondContact O-N 3.07Å; D632-Q634 VanDerWaalsContact C-N 3.25Å; D632-Q634 PolarHBondContact O-N 3.05Å; Q634-I636 PolarHBondContact O-N 3.38Å |
| 635 | E | 76.1 | Confident | 73.2 | Confident | 140 Ų | 140 | 65.6 Ų | 65.6 | 65% | 0.654 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 122.8 | 176.8 | -61.5 | -172.6 | 168.5 | 0 | 0 | 110.1 | V628 | V628-E635 HydrophobicContact CG1-CB 4.02Å; V628-E635 HydrophobicContact CG1-CG 3.72Å |
| 636 | I | 78.9 | Confident | 74 | Confident | 66 Ų | 66 | 66.6 Ų | 66.6 | 34% | 0.338 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -42.5 | -179.1 | -57.9 | -163.1 | 0 | 0 | 0 | 110.7 | L629 V631 Q634 Y652 | L629-I636 HydrophobicContact CD2-CB 4.37Å; L629-I636 HydrophobicContact CD2-CG2 4.38Å; L629-I636 HydrophobicContact CG-CB 4.33Å; L629-I636 PolarHBondContact O-N 3.46Å; V631-I636 HydrophobicContact CB-CD1 3.77Å; V631-I636 HydrophobicContact CG2-CD1 3.6Å; Q634-I636 PolarHBondContact O-N 3.38Å; I636-Y652 HydrophobicContact CD1-CD2 4.26Å; I636-Y652 HydrophobicContact CD1-CE1 4.45Å; I636-Y652 HydrophobicContact CD1-CE2 3.35Å; I636-Y652 VanDerWaalsContact CD1-CZ 3.47Å; I636-Y652 VanDerWaalsContact CD1-OH 3.3Å; I636-Y652 WeakPolarHBondContact CD1-OH 3.09Å; I636-Y652 HydrophobicContact CG2-CD2 4.07Å; I636-Y652 HydrophobicContact CG2-CE2 3.89Å |
| 637 | K | 81.5 | Confident | 74.9 | Confident | 78 Ų | 78 | 67.3 Ų | 67.3 | 34% | 0.339 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 140.4 | -178 | -168 | 161.6 | -175.5 | 166.4 | 0 | 112.5 | L629 F639 Y650 | L629-K637 HydrophobicContact CB-CB 4.47Å; L629-K637 PolarHBondContact N-O 3.35Å; L629-K637 PolarHBondContact O-N 2.91Å; K637-F639 HydrophobicContact CB-CZ 4.41Å; K637-F639 HydrophobicContact CD-CE1 3.95Å; K637-F639 HydrophobicContact CD-CZ 4.13Å; K637-F639 HydrophobicContact CG-CE1 4.16Å; K637-F639 HydrophobicContact CG-CZ 4.19Å; K637-Y650 HydrophobicContact CD-CD1 4.3Å; K637-Y650 HydrophobicContact CD-CD2 4.03Å; K637-Y650 HydrophobicContact CD-CE1 3.81Å; K637-Y650 HydrophobicContact CD-CE2 3.53Å; K637-Y650 HydrophobicContact CD-CG 4.37Å; K637-Y650 VanDerWaalsContact NZ-CD2 3.27Å |
| 638 | T | 80.2 | Confident | 75.7 | Confident | 62 Ų | 62 | 71.2 Ų | 71.2 | 38% | 0.38 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 138.2 | 172.5 | -54.9 | 0 | 0 | 0 | 0 | 110.3 | E626 V628 | E626-T638 HydrophobicContact CB-CG2 3.89Å; E626-T638 HydrophobicContact CG-CG2 4.06Å; E626-T638 WeakPolarHBondContact OE2-CG2 3.37Å; V628-T638 HydrophobicContact CG2-CG2 4.17Å |
| 639 | F | 80 | Confident | 76.3 | Confident | 1 Ų | 1 | 73.8 Ų | 73.8 | 0% | 0.004 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 122.3 | 179 | -57.6 | -76 | 0 | 0 | 0 | 110.1 | E626 A627 L629 K637 L641 Y648 Y650 I662 I664 I669 | E626-F639 CarbonylContact C-O 3.31Å; E626-F639 VanDerWaalsContact CA-O 3.27Å; E626-F639 WeakPolarHBondContact CA-O 3.2Å; A627-F639 HydrophobicContact CB-CB 4.36Å; A627-F639 PolarHBondContact N-O 3.46Å; A627-F639 WeakPolarHBondContact O-CD2 3.31Å; A627-F639 PolarHBondContact O-N 3.19Å; L629-F639 HydrophobicContact CB-CE2 3.89Å; K637-F639 HydrophobicContact CB-CZ 4.41Å; K637-F639 HydrophobicContact CD-CE1 3.95Å; K637-F639 HydrophobicContact CD-CZ 4.13Å; K637-F639 HydrophobicContact CG-CE1 4.16Å; K637-F639 HydrophobicContact CG-CZ 4.19Å; F639-L641 PolarHBondContact O-N 3.49Å; F639-Y648 HydrophobicContact CD1-CE2 4.46Å; F639-Y650 HydrophobicContact CE1-CD1 4.02Å; F639-Y650 AromaticContact CE1-CG 3.94Å; F639-Y650 HydrophobicContact CE1-CG 3.94Å; F639-Y650 AromaticContact CZ-CD1 3.59Å; F639-Y650 HydrophobicContact CZ-CD1 3.59Å; F639-Y650 HydrophobicContact CZ-CE1 4.17Å; F639-Y650 HydrophobicContact CZ-CG 4Å; F639-I662 HydrophobicContact CE2-CD1 4.19Å; F639-I662 HydrophobicContact CE2-CG2 4.46Å; F639-I662 HydrophobicContact CZ-CD1 4.16Å; F639-I662 HydrophobicContact CZ-CG2 4.43Å; F639-I664 HydrophobicContact CB-CD1 3.49Å; F639-I664 VanDerWaalsContact CB-CD1 3.49Å; F639-I664 HydrophobicContact CD1-CD1 3.21Å; F639-I664 HydrophobicContact CD2-CD1 4.31Å; F639-I664 HydrophobicContact CE1-CD1 3.94Å; F639-I664 HydrophobicContact CG-CD1 3.43Å; F639-I664 VanDerWaalsContact CG-CD1 3.43Å; F639-I669 HydrophobicContact CD2-CD1 3.63Å; F639-I669 HydrophobicContact CE2-CD1 4Å; F639-I669 HydrophobicContact CG-CD1 4.3Å |
| 640 | D | 76.4 | Confident | 76.8 | Confident | 61 Ų | 61 | 76.5 Ų | 76.5 | 33% | 0.326 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 117.8 | 171.9 | -174.7 | 3.5 | 0 | 0 | 0 | 110 | S642 | D640-S642 WeakPolarHBondContact OD1-CB 3.31Å; D640-S642 PolarHBondContact OD1-N 2.89Å; D640-S642 PolarHBondContact OD1-OG 3.38Å; D640-S642 PolarHBondContact OD2-OG 3.25Å; D640-S642 VanDerWaalsContact OD2-OG 3.09Å |
| 641 | L | 75.2 | Confident | 77.6 | Confident | 3 Ų | 3 | 81.1 Ų | 81.1 | 2% | 0.016 | 43% | 0.433 | C | S | . | . | trans | -98.7 | 2.5 | 175.5 | -55.3 | 174.8 | 0 | 0 | 0 | 112.5 | Q625 A627 F639 D643 I664 G667 I669 | Q625-L641 HydrophobicContact CB-CB 4.1Å; Q625-L641 WeakPolarHBondContact O-CA 3.16Å; Q625-L641 WeakPolarHBondContact O-CB 3.49Å; Q625-L641 PolarHBondContact O-N 2.8Å; A627-L641 HydrophobicContact CB-CD1 3.91Å; A627-L641 HydrophobicContact CB-CG 4.3Å; F639-L641 PolarHBondContact O-N 3.49Å; L641-D643 VanDerWaalsContact C-N 3.33Å; L641-I664 HydrophobicContact CD2-CG2 4.1Å; L641-G667 WeakPolarHBondContact O-CA 3.12Å; L641-I669 HydrophobicContact CD1-CG2 4.37Å; L641-I669 HydrophobicContact CD2-CB 4.24Å | ||
| 642 | S | 68.5 | Low | 78.2 | Confident | 65 Ų | 65 | 81.3 Ų | 81.3 | 46% | 0.455 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -70.9 | -29.7 | -177.4 | 69.1 | 0 | 0 | 0 | 0 | 112.6 | D640 K644 | D640-S642 WeakPolarHBondContact OD1-CB 3.31Å; D640-S642 PolarHBondContact OD1-N 2.89Å; D640-S642 PolarHBondContact OD1-OG 3.38Å; D640-S642 PolarHBondContact OD2-OG 3.25Å; D640-S642 VanDerWaalsContact OD2-OG 3.09Å; S642-K644 PolarHBondContact O-N 2.57Å |
| 643 | D | 73.5 | Confident | 78.9 | Confident | 58 Ų | 58 | 78.6 Ų | 78.6 | 31% | 0.31 | 41% | 0.413 | S | S | . | . | trans | -85.9 | 99.1 | 172.9 | -171.3 | -4.2 | 0 | 0 | 0 | 111.8 | L641 S645 Q646 | L641-D643 VanDerWaalsContact C-N 3.33Å; D643-S645 VanDerWaalsContact CG-OG 3.31Å; D643-S645 PolarHBondContact O-N 2.97Å; D643-S645 VanDerWaalsContact OD1-CB 3.3Å; D643-S645 WeakPolarHBondContact OD1-CB 3.41Å; D643-S645 PolarHBondContact OD1-N 3.17Å; D643-S645 PolarHBondContact OD1-OG 3.02Å; D643-S645 PolarHBondContact OD2-OG 3.26Å; D643-Q646 HydrophobicContact CB-CG 4.29Å; D643-Q646 PolarHBondContact O-N 3.02Å; D643-Q646 WeakPolarHBondContact OD2-CG 3.36Å; D643-Q646 PolarHBondContact OD2-NE2 3.29Å | ||
| 644 | K | 75.3 | Confident | 79.5 | Confident | 157 Ų | 157 | 77.6 Ų | 77.6 | 68% | 0.683 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -9.1 | 177.2 | -64 | -169.5 | 178.7 | -171.6 | 0 | 114.1 | S642 E666 | S642-K644 PolarHBondContact O-N 2.57Å; K644-E666 WeakPolarHBondContact O-CA 3.49Å |
| 645 | S | 76.1 | Confident | 79.9 | Confident | 99 Ų | 99 | 80.1 Ų | 80.1 | 69% | 0.692 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -17.6 | 179.8 | 74.8 | 0 | 0 | 0 | 0 | 113.4 | D643 | D643-S645 VanDerWaalsContact CG-OG 3.31Å; D643-S645 PolarHBondContact O-N 2.97Å; D643-S645 VanDerWaalsContact OD1-CB 3.3Å; D643-S645 WeakPolarHBondContact OD1-CB 3.41Å; D643-S645 PolarHBondContact OD1-N 3.17Å; D643-S645 PolarHBondContact OD1-OG 3.02Å; D643-S645 PolarHBondContact OD2-OG 3.26Å |
| 646 | Q | 76 | Confident | 80 | Confident | 80 Ų | 80 | 80.1 Ų | 80.1 | 37% | 0.374 | 40% | 0.404 | S | S | . | . | trans | -79.8 | 133.7 | -178.3 | -69.2 | -179.3 | 31.1 | 0 | 0 | 111.7 | D643 Y648 | D643-Q646 HydrophobicContact CB-CG 4.29Å; D643-Q646 PolarHBondContact O-N 3.02Å; D643-Q646 WeakPolarHBondContact OD2-CG 3.36Å; D643-Q646 PolarHBondContact OD2-NE2 3.29Å; Q646-Y648 HydrophobicContact CB-CD1 4.24Å; Q646-Y648 HydrophobicContact CB-CE1 4.22Å | ||
| 647 | S | 86.5 | Confident | 79.9 | Confident | 75 Ų | 75 | 78.6 Ų | 78.6 | 52% | 0.524 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 117.3 | 166.2 | -168 | 0 | 0 | 0 | 0 | 110.4 | I664 | S647-I664 CarbonylContact C-O 3.49Å; S647-I664 WeakPolarHBondContact CA-O 3.38Å; S647-I664 PolarHBondContact OG-O 3.24Å |
| 648 | Y | 88.5 | Confident | 79.9 | Confident | 82 Ų | 82 | 77.8 Ų | 77.8 | 32% | 0.322 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 164.5 | 179.6 | 63.2 | -90 | 0 | 0 | 0 | 111.2 | F639 Q646 I664 | F639-Y648 HydrophobicContact CD1-CE2 4.46Å; Q646-Y648 HydrophobicContact CB-CD1 4.24Å; Q646-Y648 HydrophobicContact CB-CE1 4.22Å; Y648-I664 HydrophobicContact CE1-CB 4.23Å; Y648-I664 HydrophobicContact CE1-CD1 4.38Å; Y648-I664 HydrophobicContact CE1-CG2 4.19Å; Y648-I664 HydrophobicContact CE2-CB 4.46Å; Y648-I664 HydrophobicContact CE2-CD1 3.85Å; Y648-I664 HydrophobicContact CE2-CG1 4.49Å; Y648-I664 PolarHBondContact N-O 3Å; Y648-I664 PolarHBondContact O-N 3.39Å; Y648-I664 WeakPolarHBondContact OH-CD1 3.47Å |
| 649 | T | 88.9 | Confident | 80 | Confident | 75 Ų | 75 | 76.7 Ų | 76.7 | 46% | 0.46 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 138.7 | 174.9 | 49 | 0 | 0 | 0 | 0 | 110.5 | I662 E663 K672 | T649-I662 CarbonylContact C-O 3.55Å; T649-I662 VanDerWaalsContact CA-O 3.26Å; T649-I662 WeakPolarHBondContact CA-O 3.36Å; T649-E663 HydrophobicContact CG2-CB 4.12Å; T649-E663 HydrophobicContact CG2-CG 4.01Å; T649-K672 HydrophobicContact CG2-CD 4.27Å |
| 650 | Y | 86.6 | Confident | 80.1 | Confident | 57 Ų | 57 | 76.9 Ų | 76.9 | 22% | 0.224 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 124.3 | 174.9 | 177.6 | -101.8 | 0 | 0 | 0 | 109.4 | L629 K637 F639 I662 | L629-Y650 HydrophobicContact CD2-CE1 3.95Å; K637-Y650 HydrophobicContact CD-CD1 4.3Å; K637-Y650 HydrophobicContact CD-CD2 4.03Å; K637-Y650 HydrophobicContact CD-CE1 3.81Å; K637-Y650 HydrophobicContact CD-CE2 3.53Å; K637-Y650 HydrophobicContact CD-CG 4.37Å; K637-Y650 VanDerWaalsContact NZ-CD2 3.27Å; F639-Y650 HydrophobicContact CE1-CD1 4.02Å; F639-Y650 AromaticContact CE1-CG 3.94Å; F639-Y650 HydrophobicContact CE1-CG 3.94Å; F639-Y650 AromaticContact CZ-CD1 3.59Å; F639-Y650 HydrophobicContact CZ-CD1 3.59Å; F639-Y650 HydrophobicContact CZ-CE1 4.17Å; F639-Y650 HydrophobicContact CZ-CG 4Å; Y650-I662 HydrophobicContact CD1-CD1 4.28Å; Y650-I662 PolarHBondContact N-O 3.43Å; Y650-I662 PolarHBondContact O-N 3.46Å |
| 651 | R | 87.2 | Confident | 80.5 | Confident | 129 Ų | 129 | 75.5 Ų | 75.5 | 49% | 0.487 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118.9 | 174.6 | -176.2 | 179.4 | 172.4 | 122.2 | -2.7 | 108.7 | E653 N660 L661 | R651-E653 IonicContact CZ-OE2 3.36Å; R651-E653 IonicContact NE-OE2 3.94Å; R651-E653 PolarHBondContact NE-OE2 2.83Å; R651-E653 IonicContact NH2-OE2 3.67Å; R651-E653 PolarHBondContact NH2-OE2 3.06Å; R651-N660 WeakPolarHBondContact CA-O 3.42Å; R651-L661 HydrophobicContact CB-CD1 4.03Å |
| 652 | Y | 83.6 | Confident | 81 | Confident | 33 Ų | 33 | 75.5 Ų | 75.5 | 13% | 0.129 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 135.8 | 164.5 | 173.8 | -105.8 | 0 | 0 | 0 | 108.2 | L629 V631 I636 D654 Y659 N660 | L629-Y652 HydrophobicContact CD2-CD2 4.22Å; L629-Y652 HydrophobicContact CD2-CG 4.08Å; V631-Y652 HydrophobicContact CG2-CE1 3.75Å; I636-Y652 HydrophobicContact CD1-CD2 4.26Å; I636-Y652 HydrophobicContact CD1-CE1 4.45Å; I636-Y652 HydrophobicContact CD1-CE2 3.35Å; I636-Y652 VanDerWaalsContact CD1-CZ 3.47Å; I636-Y652 VanDerWaalsContact CD1-OH 3.3Å; I636-Y652 WeakPolarHBondContact CD1-OH 3.09Å; I636-Y652 HydrophobicContact CG2-CD2 4.07Å; I636-Y652 HydrophobicContact CG2-CE2 3.89Å; Y652-D654 HydrophobicContact CE1-CB 4.17Å; Y652-Y659 CarbonylContact O-C 3.4Å; Y652-Y659 WeakPolarHBondContact O-CA 3.07Å; Y652-Y659 VanDerWaalsContact O-CB 3.26Å; Y652-Y659 WeakPolarHBondContact O-CB 3.49Å; Y652-N660 PolarHBondContact N-O 3.03Å; Y652-N660 PolarHBondContact O-N 3.45Å |
| 653 | E | 83.4 | Confident | 81.9 | Confident | 107 Ų | 107 | 73.3 Ų | 73.3 | 50% | 0.5 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 125.4 | 176 | -167.3 | 162.6 | 149.3 | 0 | 0 | 108 | R651 D658 | R651-E653 IonicContact CZ-OE2 3.36Å; R651-E653 IonicContact NE-OE2 3.94Å; R651-E653 PolarHBondContact NE-OE2 2.83Å; R651-E653 IonicContact NH2-OE2 3.67Å; R651-E653 PolarHBondContact NH2-OE2 3.06Å; E653-D658 CarbonylContact C-O 3.56Å; E653-D658 VanDerWaalsContact CA-O 3.28Å; E653-D658 WeakPolarHBondContact CA-O 3.48Å |
| 654 | D | 77.6 | Confident | 82.4 | Confident | 53 Ų | 53 | 70.7 Ų | 70.7 | 28% | 0.283 | 35% | 0.354 | S | S | . | . | trans | -85 | 166.7 | 177.9 | -162.8 | 6.5 | 0 | 0 | 0 | 110.9 | Y652 D656 G657 D658 | Y652-D654 HydrophobicContact CE1-CB 4.17Å; D654-D656 PolarHBondContact O-N 3Å; D654-G657 PolarHBondContact O-N 3.31Å; D654-D658 HydrophobicContact CB-CB 4.45Å; D654-D658 PolarHBondContact N-O 3.09Å | ||
| 655 | K | 77.4 | Confident | 82.7 | Confident | 202 Ų | 202 | 68 Ų | 68 | 88% | 0.878 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -27.6 | -179.2 | -64.5 | 179.8 | -175.8 | 169 | 0 | 113.4 | G657 | K655-G657 PolarHBondContact O-N 3.23Š|
| 656 | D | 78.2 | Confident | 82.9 | Confident | 140 Ų | 140 | 68.2 Ų | 68.2 | 75% | 0.749 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -0.5 | 179.6 | -64.6 | -34.7 | 0 | 0 | 0 | 113 | D654 D658 | D654-D656 PolarHBondContact O-N 3Å; D656-D658 VanDerWaalsContact C-N 3.32Å |
| 657 | G | 78.1 | Confident | 82.9 | Confident | 33 Ų | 33 | 64.7 Ų | 64.7 | 34% | 0.34 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 85.8 | 4.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | D654 K655 N675 | D654-G657 PolarHBondContact O-N 3.31Å; K655-G657 PolarHBondContact O-N 3.23Å; G657-N675 PolarHBondContact O-ND2 3.43Å |
| 658 | D | 81 | Confident | 82.3 | Confident | 61 Ų | 61 | 68.9 Ų | 68.9 | 33% | 0.326 | 32% | 0.322 | S | S | . | . | trans | -75.3 | 134.7 | 173.1 | -86.2 | -1.7 | 0 | 0 | 0 | 110.8 | E653 D654 D656 N675 C676 | E653-D658 CarbonylContact C-O 3.56Å; E653-D658 VanDerWaalsContact CA-O 3.28Å; E653-D658 WeakPolarHBondContact CA-O 3.48Å; D654-D658 HydrophobicContact CB-CB 4.45Å; D654-D658 PolarHBondContact N-O 3.09Å; D656-D658 VanDerWaalsContact C-N 3.32Å; D658-N675 WeakPolarHBondContact CA-OD1 3.24Å; D658-C676 HydrophobicContact CB-CB 3.84Å | ||
| 659 | Y | 81.9 | Confident | 81.8 | Confident | 39 Ų | 39 | 66.5 Ų | 66.5 | 15% | 0.153 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 149.2 | -176.4 | 77.2 | -90 | 0 | 0 | 0 | 113.5 | Y652 E673 A674 N675 | Y652-Y659 CarbonylContact O-C 3.4Å; Y652-Y659 WeakPolarHBondContact O-CA 3.07Å; Y652-Y659 VanDerWaalsContact O-CB 3.26Å; Y652-Y659 WeakPolarHBondContact O-CB 3.49Å; Y659-E673 HydrophobicContact CE2-CG 4.18Å; Y659-E673 PolarHBondContact OH-OE1 2.9Å; Y659-E673 VanDerWaalsContact OH-OE1 3.13Å; Y659-A674 WeakPolarHBondContact O-CA 3.38Å; Y659-N675 HydrophobicContact CD1-CB 4.31Å; Y659-N675 VanDerWaalsContact CD1-CG 3.49Å; Y659-N675 WeakPolarHBondContact CD1-ND2 3.28Å; Y659-N675 WeakPolarHBondContact CD1-OD1 3.44Å; Y659-N675 HydrophobicContact CE1-CB 3.96Å; Y659-N675 PolarHBondContact N-OD1 2.97Å; Y659-N675 PolarHBondContact O-N 3.41Å; Y659-N675 PolarHBondContact O-OD1 2.76Å; Y659-N675 VanDerWaalsContact O-OD1 3.11Å |
| 660 | N | 82.2 | Confident | 81.2 | Confident | 6 Ų | 6 | 70.3 Ų | 70.3 | 3% | 0.032 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121.2 | 170.4 | -83.3 | -58.7 | 0 | 0 | 0 | 109.4 | R651 Y652 I662 A674 C676 I680 | R651-N660 WeakPolarHBondContact CA-O 3.42Å; Y652-N660 PolarHBondContact N-O 3.03Å; Y652-N660 PolarHBondContact O-N 3.45Å; N660-I662 HydrophobicContact CB-CG1 4.5Å; N660-A674 WeakPolarHBondContact OD1-CB 3.32Å; N660-C676 PolarHBondContact ND2-SG 3.09Å; N660-I680 HydrophobicContact CB-CD1 3.64Å; N660-I680 VanDerWaalsContact CG-CD1 3.48Å; N660-I680 WeakPolarHBondContact ND2-CD1 3.34Å |
| 661 | L | 85.2 | Confident | 80.9 | Confident | 32 Ų | 32 | 71.4 Ų | 71.4 | 17% | 0.168 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 106.7 | 170.4 | -170.5 | 68.5 | 0 | 0 | 0 | 109.4 | R651 K672 E673 | R651-L661 HydrophobicContact CB-CD1 4.03Å; L661-K672 HydrophobicContact CD2-CB 4.25Å; L661-K672 HydrophobicContact CD2-CD 3.95Å; L661-K672 HydrophobicContact CD2-CG 4.24Å; L661-K672 HydrophobicContact CG-CB 4.35Å; L661-K672 WeakPolarHBondContact O-CB 3.16Å; L661-K672 PolarHBondContact O-N 2.89Å; L661-E673 HydrophobicContact CB-CB 4.08Å; L661-E673 WeakPolarHBondContact CB-O 3.5Å; L661-E673 HydrophobicContact CD2-CB 4.32Å; L661-E673 PolarHBondContact N-O 2.97Å |
| 662 | I | 86.1 | Confident | 80.6 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 126.1 | -177.9 | -57.1 | 174.5 | 0 | 0 | 0 | 108.6 | L629 F639 T649 Y650 N660 I669 I680 | L629-I662 HydrophobicContact CD1-CD1 3.96Å; L629-I662 HydrophobicContact CD2-CD1 3.91Å; L629-I662 HydrophobicContact CG-CD1 4.39Å; F639-I662 HydrophobicContact CE2-CD1 4.19Å; F639-I662 HydrophobicContact CE2-CG2 4.46Å; F639-I662 HydrophobicContact CZ-CD1 4.16Å; F639-I662 HydrophobicContact CZ-CG2 4.43Å; T649-I662 CarbonylContact C-O 3.55Å; T649-I662 VanDerWaalsContact CA-O 3.26Å; T649-I662 WeakPolarHBondContact CA-O 3.36Å; Y650-I662 HydrophobicContact CD1-CD1 4.28Å; Y650-I662 PolarHBondContact N-O 3.43Å; Y650-I662 PolarHBondContact O-N 3.46Å; N660-I662 HydrophobicContact CB-CG1 4.5Å; I662-I669 HydrophobicContact CG2-CD1 3.7Å; I662-I669 HydrophobicContact CG2-CG1 3.54Å; I662-I680 HydrophobicContact CD1-CD1 3.8Å; I662-I680 HydrophobicContact CG1-CD1 4.08Å |
| 663 | E | 85.8 | Confident | 80.4 | Confident | 20 Ų | 20 | 74.2 Ų | 74.2 | 9% | 0.093 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.9 | 175.2 | -171.3 | -179.2 | -107.7 | 0 | 0 | 110.4 | T649 I669 R670 K672 | T649-E663 HydrophobicContact CG2-CB 4.12Å; T649-E663 HydrophobicContact CG2-CG 4.01Å; E663-I669 WeakPolarHBondContact O-CA 3.35Å; E663-R670 HydrophobicContact CB-CG 4.2Å; E663-R670 PolarHBondContact N-O 3.13Å; E663-R670 PolarHBondContact O-N 3.02Å; E663-R670 IonicContact OE2-CZ 3.46Å; E663-R670 IonicContact OE2-NE 2.96Å; E663-R670 PolarHBondContact OE2-NE 3.44Å; E663-R670 IonicContact OE2-NH2 3.05Å; E663-R670 PolarHBondContact OE2-NH2 2.93Å; E663-K672 HydrophobicContact CB-CB 4.16Å; E663-K672 HydrophobicContact CB-CD 4.3Å; E663-K672 IonicContact OE1-NZ 2.72Å; E663-K672 PolarHBondContact OE1-NZ 3.15Å |
| 664 | I | 85.9 | Confident | 80.2 | Confident | 3 Ų | 3 | 71.4 Ų | 71.4 | 2% | 0.015 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.2 | 171.6 | -64.4 | 178.8 | 0 | 0 | 0 | 107.7 | F639 L641 S647 Y648 R668 I669 | F639-I664 HydrophobicContact CB-CD1 3.49Å; F639-I664 VanDerWaalsContact CB-CD1 3.49Å; F639-I664 HydrophobicContact CD1-CD1 3.21Å; F639-I664 HydrophobicContact CD2-CD1 4.31Å; F639-I664 HydrophobicContact CE1-CD1 3.94Å; F639-I664 HydrophobicContact CG-CD1 3.43Å; F639-I664 VanDerWaalsContact CG-CD1 3.43Å; L641-I664 HydrophobicContact CD2-CG2 4.1Å; S647-I664 CarbonylContact C-O 3.49Å; S647-I664 WeakPolarHBondContact CA-O 3.38Å; S647-I664 PolarHBondContact OG-O 3.24Å; Y648-I664 HydrophobicContact CE1-CB 4.23Å; Y648-I664 HydrophobicContact CE1-CD1 4.38Å; Y648-I664 HydrophobicContact CE1-CG2 4.19Å; Y648-I664 HydrophobicContact CE2-CB 4.46Å; Y648-I664 HydrophobicContact CE2-CD1 3.85Å; Y648-I664 HydrophobicContact CE2-CG1 4.49Å; Y648-I664 PolarHBondContact N-O 3Å; Y648-I664 PolarHBondContact O-N 3.39Å; Y648-I664 WeakPolarHBondContact OH-CD1 3.47Å; I664-R668 WeakPolarHBondContact CA-O 3.3Å; I664-I669 HydrophobicContact CG1-CB 4.48Å; I664-I669 HydrophobicContact CG1-CG1 4.21Å |
| 665 | K | 81.6 | Confident | 80.3 | Confident | 100 Ų | 100 | 72.7 Ų | 72.7 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 129 | 179.5 | -173.9 | 172.5 | -178.9 | -177.3 | 0 | 110.1 | G667 R668 | K665-G667 VanDerWaalsContact C-N 3.28Å; K665-G667 PolarHBondContact O-N 2.88Å; K665-R668 PolarHBondContact N-O 3.4Å; K665-R668 WeakPolarHBondContact O-CB 3.49Å; K665-R668 PolarHBondContact O-N 3.18Å |
| 666 | E | 80.3 | Confident | 79.7 | Confident | 103 Ų | 103 | 64.2 Ų | 64.2 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 38.9 | 174 | -64 | 168.3 | -162.7 | 0 | 0 | 113.8 | K644 R668 | K644-E666 WeakPolarHBondContact O-CA 3.49Å; E666-R668 PolarHBondContact O-N 2.97Å; E666-R668 IonicContact OE2-NH2 3.31Å |
| 667 | G | 75.4 | Confident | 78.7 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 6% | 0.062 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 15 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L641 K665 | L641-G667 WeakPolarHBondContact O-CA 3.12Å; K665-G667 VanDerWaalsContact C-N 3.28Å; K665-G667 PolarHBondContact O-N 2.88Å |
| 668 | R | 73.3 | Confident | 77.4 | Confident | 163 Ų | 163 | 65 Ų | 65 | 62% | 0.615 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 146.6 | 172.6 | -66.1 | -175.2 | -100.9 | -165.4 | -4.6 | 110.3 | I664 K665 E666 | I664-R668 WeakPolarHBondContact CA-O 3.3Å; K665-R668 PolarHBondContact N-O 3.4Å; K665-R668 WeakPolarHBondContact O-CB 3.49Å; K665-R668 PolarHBondContact O-N 3.18Å; E666-R668 PolarHBondContact O-N 2.97Å; E666-R668 IonicContact OE2-NH2 3.31Å |
| 669 | I | 77.4 | Confident | 76 | Confident | 33 Ų | 33 | 71 Ų | 71 | 17% | 0.169 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.2 | 174.5 | -172.2 | 171.1 | 0 | 0 | 0 | 108.7 | A627 F639 L641 I662 E663 I664 V682 | A627-I669 HydrophobicContact CB-CB 4.42Å; A627-I669 HydrophobicContact CB-CD1 3.67Å; A627-I669 HydrophobicContact CB-CG2 3.88Å; F639-I669 HydrophobicContact CD2-CD1 3.63Å; F639-I669 HydrophobicContact CE2-CD1 4Å; F639-I669 HydrophobicContact CG-CD1 4.3Å; L641-I669 HydrophobicContact CD1-CG2 4.37Å; L641-I669 HydrophobicContact CD2-CB 4.24Å; I662-I669 HydrophobicContact CG2-CD1 3.7Å; I662-I669 HydrophobicContact CG2-CG1 3.54Å; E663-I669 WeakPolarHBondContact O-CA 3.35Å; I664-I669 HydrophobicContact CG1-CB 4.48Å; I664-I669 HydrophobicContact CG1-CG1 4.21Å; I669-V682 HydrophobicContact CD1-CG2 4.44Å; I669-V682 HydrophobicContact CG2-CG1 3.88Å; I669-V682 HydrophobicContact CG2-CG2 4.03Å |
| 670 | R | 76.9 | Confident | 74.5 | Confident | 155 Ų | 155 | 70.4 Ų | 70.4 | 59% | 0.585 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 154.5 | 173.9 | 64.1 | 179.3 | -179.6 | 172.3 | 3.3 | 111.1 | E663 | E663-R670 HydrophobicContact CB-CG 4.2Å; E663-R670 PolarHBondContact N-O 3.13Å; E663-R670 PolarHBondContact O-N 3.02Å; E663-R670 IonicContact OE2-CZ 3.46Å; E663-R670 IonicContact OE2-NE 2.96Å; E663-R670 PolarHBondContact OE2-NE 3.44Å; E663-R670 IonicContact OE2-NH2 3.05Å; E663-R670 PolarHBondContact OE2-NH2 2.93Å |
| 671 | I | 79.7 | Confident | 72.8 | Confident | 79 Ų | 79 | 74.3 Ų | 74.3 | 41% | 0.405 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 120.5 | 166.4 | -57.6 | 174.7 | 0 | 0 | 0 | 107.2 | A674 I680 | I671-A674 HydrophobicContact CG2-CB 3.89Å; I671-I680 HydrophobicContact CD1-CB 4.24Å; I671-I680 HydrophobicContact CD1-CD1 3.95Å; I671-I680 HydrophobicContact CD1-CG1 4.32Å; I671-I680 HydrophobicContact CG1-CD1 4.17Å |
| 672 | K | 80.8 | Confident | 71 | Confident | 114 Ų | 114 | 75.5 Ų | 75.5 | 50% | 0.496 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -38.6 | 179.7 | -175.5 | 173.4 | -174 | 159.6 | 0 | 111.8 | T649 L661 E663 | T649-K672 HydrophobicContact CG2-CD 4.27Å; L661-K672 HydrophobicContact CD2-CB 4.25Å; L661-K672 HydrophobicContact CD2-CD 3.95Å; L661-K672 HydrophobicContact CD2-CG 4.24Å; L661-K672 HydrophobicContact CG-CB 4.35Å; L661-K672 WeakPolarHBondContact O-CB 3.16Å; L661-K672 PolarHBondContact O-N 2.89Å; E663-K672 HydrophobicContact CB-CB 4.16Å; E663-K672 HydrophobicContact CB-CD 4.3Å; E663-K672 IonicContact OE1-NZ 2.72Å; E663-K672 PolarHBondContact OE1-NZ 3.15Å |
| 673 | E | 80.5 | Confident | 69.1 | Low | 107 Ų | 107 | 85 Ų | 85 | 50% | 0.5 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 144.4 | 179.2 | -175 | 174.3 | -168.9 | 0 | 0 | 108.3 | Y659 L661 | Y659-E673 HydrophobicContact CE2-CG 4.18Å; Y659-E673 PolarHBondContact OH-OE1 2.9Å; Y659-E673 VanDerWaalsContact OH-OE1 3.13Å; L661-E673 HydrophobicContact CB-CB 4.08Å; L661-E673 WeakPolarHBondContact CB-O 3.5Å; L661-E673 HydrophobicContact CD2-CB 4.32Å; L661-E673 PolarHBondContact N-O 2.97Å |
| 674 | A | 79.4 | Confident | 67 | Low | 48 Ų | 48 | 91.4 Ų | 91.4 | 40% | 0.397 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 145.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y659 N660 I671 | Y659-A674 WeakPolarHBondContact O-CA 3.38Å; N660-A674 WeakPolarHBondContact OD1-CB 3.32Å; I671-A674 HydrophobicContact CG2-CB 3.89Å |
| 675 | N | 78.9 | Confident | 64.9 | Low | 81 Ų | 81 | 93.3 Ų | 93.3 | 43% | 0.433 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -106.5 | -7.5 | 166.8 | 70.1 | -17.6 | 0 | 0 | 0 | 112.9 | G657 D658 Y659 | G657-N675 PolarHBondContact O-ND2 3.43Å; D658-N675 WeakPolarHBondContact CA-OD1 3.24Å; Y659-N675 HydrophobicContact CD1-CB 4.31Å; Y659-N675 VanDerWaalsContact CD1-CG 3.49Å; Y659-N675 WeakPolarHBondContact CD1-ND2 3.28Å; Y659-N675 WeakPolarHBondContact CD1-OD1 3.44Å; Y659-N675 HydrophobicContact CE1-CB 3.96Å; Y659-N675 PolarHBondContact N-OD1 2.97Å; Y659-N675 PolarHBondContact O-N 3.41Å; Y659-N675 PolarHBondContact O-OD1 2.76Å; Y659-N675 VanDerWaalsContact O-OD1 3.11Å |
| 676 | C | 65.9 | Low | 62.9 | Low | 23 Ų | 23 | 96.5 Ų | 96.5 | 16% | 0.155 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -95.2 | 148.7 | 176.9 | 75.1 | 0 | 0 | 0 | 0 | 112.3 | D658 N660 D678 | D658-C676 HydrophobicContact CB-CB 3.84Å; N660-C676 PolarHBondContact ND2-SG 3.09Å; C676-D678 VanDerWaalsContact C-N 3.29Å; C676-D678 PolarHBondContact O-N 3.14Å |
| 677 | G | 56 | Low | 60.8 | Low | 78 Ų | 78 | 96.8 Ų | 96.8 | 80% | 0.804 | 48% | 0.483 | S | S | * | . | trans | -76.2 | -11.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q679 | G677-Q679 PolarHBondContact O-N 2.81Š| ||
| 678 | D | 52.2 | Low | 58.9 | Low | 112 Ų | 112 | 102.9 Ų | 102.9 | 60% | 0.599 | 52% | 0.515 | S | S | * | . | trans | -75.1 | 124.8 | -172.2 | -71.1 | -22.9 | 0 | 0 | 0 | 112.7 | C676 I680 | C676-D678 VanDerWaalsContact C-N 3.29Å; C676-D678 PolarHBondContact O-N 3.14Å; D678-I680 PolarHBondContact O-N 3.29Å | ||
| 679 | Q | 50 | Low | 57.3 | Low | 187 Ų | 187 | 103.2 Ų | 103.2 | 87% | 0.874 | 52% | 0.523 | S | S | * | . | trans | -78.8 | 109.2 | 176.7 | -67.4 | -176.7 | -3.4 | 0 | 0 | 110.1 | G677 C681 | G677-Q679 PolarHBondContact O-N 2.81Å; Q679-C681 PolarHBondContact O-N 2.81Å | ||
| 680 | I | 50.2 | Low | 55.3 | Low | 27 Ų | 27 | 103.4 Ų | 103.4 | 14% | 0.138 | 53% | 0.527 | C | S | . | . | trans | -57.9 | 118.6 | 168.3 | -65.5 | 164.7 | 0 | 0 | 0 | 109.5 | L629 N660 I662 I671 D678 V682 | L629-I680 HydrophobicContact CD1-CB 4.1Å; L629-I680 HydrophobicContact CD1-CD1 3.56Å; L629-I680 HydrophobicContact CD1-CG1 3.53Å; L629-I680 HydrophobicContact CD1-CG2 3.44Å; L629-I680 VanDerWaalsContact CD1-CG2 3.44Å; N660-I680 HydrophobicContact CB-CD1 3.64Å; N660-I680 VanDerWaalsContact CG-CD1 3.48Å; N660-I680 WeakPolarHBondContact ND2-CD1 3.34Å; I662-I680 HydrophobicContact CD1-CD1 3.8Å; I662-I680 HydrophobicContact CG1-CD1 4.08Å; I671-I680 HydrophobicContact CD1-CB 4.24Å; I671-I680 HydrophobicContact CD1-CD1 3.95Å; I671-I680 HydrophobicContact CD1-CG1 4.32Å; I671-I680 HydrophobicContact CG1-CD1 4.17Å; D678-I680 PolarHBondContact O-N 3.29Å; I680-V682 HydrophobicContact CG2-CG2 4.45Å; I680-V682 PolarHBondContact O-N 2.98Å | ||
| 681 | C | 46.5 | Very low | 53.3 | Low | 87 Ų | 87 | 99.5 Ų | 99.5 | 59% | 0.588 | 54% | 0.535 | S | S | * | . | trans | -83.2 | 107.3 | 176.3 | -172.1 | 0 | 0 | 0 | 0 | 110.8 | V628 Q679 R683 | V628-C681 VanDerWaalsContact O-O 3.14Å; Q679-C681 PolarHBondContact O-N 2.81Å; C681-R683 PolarHBondContact O-N 3.09Å | ||
| 682 | V | 47.5 | Very low | 51.8 | Low | 58 Ų | 58 | 97.8 Ų | 97.8 | 35% | 0.352 | 54% | 0.537 | S | S | . | . | trans | -85.6 | 102.7 | 172.1 | 178.3 | 0 | 0 | 0 | 0 | 109.4 | A627 I669 I680 | A627-V682 HydrophobicContact CB-CG1 3.63Å; I669-V682 HydrophobicContact CD1-CG2 4.44Å; I669-V682 HydrophobicContact CG2-CG1 3.88Å; I669-V682 HydrophobicContact CG2-CG2 4.03Å; I680-V682 HydrophobicContact CG2-CG2 4.45Å; I680-V682 PolarHBondContact O-N 2.98Å | ||
| 683 | R | 45.9 | Very low | 50.7 | Low | 201 Ų | 201 | 95 Ų | 95 | 76% | 0.758 | 53% | 0.53 | S | S | * | . | trans | -75.3 | 127.1 | 162.4 | -82.2 | -170.9 | 173.4 | -171.4 | 0.4 | 109.5 | E626 C681 | E626-R683 VanDerWaalsContact O-O 3.12Å; C681-R683 PolarHBondContact O-N 3.09Å | ||
| 684 | R | 43.3 | Very low | 49.9 | Very low | 155 Ų | 155 | 94.5 Ų | 94.5 | 59% | 0.585 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 113.3 | 160.1 | -79.7 | -178 | 173.7 | 177.1 | -3.3 | 108 | ||
| 685 | G | 40.7 | Very low | 49.3 | Very low | 43 Ų | 43 | 93.1 Ų | 93.1 | 44% | 0.443 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 143.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 686 | W | 39.9 | Very low | 49.1 | Very low | 167 Ų | 167 | 92.8 Ų | 92.8 | 63% | 0.633 | 52% | 0.518 | S | S | * | . | trans | -99.4 | 116.2 | 167.6 | -55.7 | 106.9 | 0 | 0 | 0 | 107.8 | P623 Q625 D688 | P623-W686 HydrophobicContact CB-CB 4.01Å; P623-W686 HydrophobicContact CB-CD2 3.95Å; P623-W686 HydrophobicContact CB-CE3 3.22Å; P623-W686 HydrophobicContact CB-CG 4.35Å; P623-W686 HydrophobicContact CB-CZ3 3.81Å; P623-W686 HydrophobicContact CG-CD2 3.9Å; P623-W686 HydrophobicContact CG-CE3 3.22Å; P623-W686 HydrophobicContact CG-CH2 4.23Å; P623-W686 HydrophobicContact CG-CZ3 3.36Å; P623-W686 VanDerWaalsContact O-CE3 3.29Å; P623-W686 VanDerWaalsContact O-CZ3 3.26Å; P623-W686 WeakPolarHBondContact O-CZ3 3.48Å; Q625-W686 HydrophobicContact CG-CE3 4.24Å; Q625-W686 HydrophobicContact CG-CH2 4.45Å; Q625-W686 HydrophobicContact CG-CZ3 3.97Å; W686-D688 PolarHBondContact O-N 2.83Å | ||
| 687 | I | 37.2 | Very low | 49.7 | Very low | 108 Ų | 108 | 97.9 Ų | 97.9 | 55% | 0.554 | 54% | 0.537 | S | S | * | . | trans | -87.7 | 106.2 | 170.5 | -58 | 178.5 | 0 | 0 | 0 | 108.1 | Q689 | I687-Q689 VanDerWaalsContact C-N 3.33Å; I687-Q689 HydrophobicContact CG2-CB 4.41Å; I687-Q689 HydrophobicContact CG2-CG 3.81Å; I687-Q689 PolarHBondContact O-N 2.9Å; I687-Q689 VanDerWaalsContact O-N 3.12Å | ||
| 688 | D | 35.7 | Very low | 50.9 | Low | 135 Ų | 135 | 96.9 Ų | 96.9 | 72% | 0.722 | 51% | 0.514 | S | S | * | . | trans | -78.7 | 81.9 | 166.5 | -167.5 | -4.5 | 0 | 0 | 0 | 109.1 | W686 S690 | W686-D688 PolarHBondContact O-N 2.83Å; D688-S690 PolarHBondContact O-N 2.97Å; D688-S690 VanDerWaalsContact O-N 3.12Å; D688-S690 PolarHBondContact OD1-N 3.38Å; D688-S690 PolarHBondContact OD1-OG 3.38Å | ||
| 689 | Q | 37.9 | Very low | 52.5 | Low | 170 Ų | 170 | 94.4 Ų | 94.4 | 79% | 0.794 | 50% | 0.496 | S | S | * | . | trans | -80.9 | 70 | 167.4 | -94 | -174.2 | 13.2 | 0 | 0 | 109.8 | I687 | I687-Q689 VanDerWaalsContact C-N 3.33Å; I687-Q689 HydrophobicContact CG2-CB 4.41Å; I687-Q689 HydrophobicContact CG2-CG 3.81Å; I687-Q689 PolarHBondContact O-N 2.9Å; I687-Q689 VanDerWaalsContact O-N 3.12Å | ||
| 690 | S | 35.6 | Very low | 54.2 | Low | 37 Ų | 37 | 88.6 Ų | 88.6 | 26% | 0.259 | 48% | 0.476 | S | S | . | . | trans | -155.2 | 47.8 | 172 | 71.9 | 0 | 0 | 0 | 0 | 116.5 | D688 | D688-S690 PolarHBondContact O-N 2.97Å; D688-S690 VanDerWaalsContact O-N 3.12Å; D688-S690 PolarHBondContact OD1-N 3.38Å; D688-S690 PolarHBondContact OD1-OG 3.38Å | ||
| 691 | G | 35.7 | Very low | 56 | Low | 73 Ų | 73 | 90.8 Ų | 90.8 | 75% | 0.753 | 49% | 0.487 | S | S | * | . | trans | -91.9 | -0 | 173.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | S695 | G691-S695 PolarHBondContact O-OG 2.95Š| ||
| 692 | G | 47.3 | Very low | 58.1 | Low | 43 Ų | 43 | 88 Ų | 88 | 44% | 0.443 | 47% | 0.468 | S | S | . | . | trans | -125.3 | 20.7 | -146.7 | 0 | 0 | 0 | 0 | 0 | 121.8 | T696 | G692-T696 VanDerWaalsContact C-OG1 3.3Å; G692-T696 VanDerWaalsContact O-CB 3.29Å; G692-T696 WeakPolarHBondContact O-CB 3.3Å; G692-T696 PolarHBondContact O-OG1 3.06Å | ||
| 693 | T | 57.9 | Low | 60.3 | Low | 55 Ų | 55 | 85.2 Ų | 85.2 | 34% | 0.337 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -115.7 | -58.9 | -179.2 | 47.1 | 0 | 0 | 0 | 0 | 115.3 | C616 S695 T696 F697 | C616-T693 WeakPolarHBondContact CA-OG1 3.36Å; C616-T693 WeakPolarHBondContact CB-OG1 3.42Å; C616-T693 PolarHBondContact O-OG1 2.88Å; T693-S695 VanDerWaalsContact C-N 3.35Å; T693-T696 PolarHBondContact O-N 2.64Å; T693-F697 WeakPolarHBondContact O-CB 3.43Å; T693-F697 PolarHBondContact O-N 3.45Å |
| 694 | I | 64.2 | Low | 62.5 | Low | 97 Ų | 97 | 78.3 Ų | 78.3 | 50% | 0.497 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 175.7 | -75.1 | 165 | 0 | 0 | 0 | 110.5 | C616 T696 F697 L698 | C616-I694 HydrophobicContact CB-CD1 4.1Å; C616-I694 HydrophobicContact CB-CG1 4.29Å; I694-T696 VanDerWaalsContact C-N 3.34Å; I694-T696 PolarHBondContact O-N 3.3Å; I694-F697 PolarHBondContact O-N 3.19Å; I694-L698 HydrophobicContact CG2-CD1 3.69Å; I694-L698 HydrophobicContact CG2-CG 4.09Å; I694-L698 WeakPolarHBondContact O-CB 3.27Å; I694-L698 WeakPolarHBondContact O-CG 3.44Å; I694-L698 PolarHBondContact O-N 2.89Å |
| 695 | S | 66.3 | Low | 64.9 | Low | 18 Ų | 18 | 74.9 Ų | 74.9 | 13% | 0.126 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -55.7 | -50.1 | 173.2 | 49.5 | 0 | 0 | 0 | 0 | 110.6 | G691 T693 F697 L698 Y699 | G691-S695 PolarHBondContact O-OG 2.95Å; T693-S695 VanDerWaalsContact C-N 3.35Å; S695-F697 PolarHBondContact O-N 3.02Å; S695-L698 PolarHBondContact O-N 2.94Å; S695-Y699 WeakPolarHBondContact O-CB 3.45Å; S695-Y699 WeakPolarHBondContact O-CD1 3.43Å; S695-Y699 WeakPolarHBondContact O-CD2 3.47Å; S695-Y699 PolarHBondContact O-N 3.29Å |
| 696 | T | 74.7 | Confident | 67.4 | Low | 75 Ų | 75 | 76.1 Ų | 76.1 | 46% | 0.46 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 177.8 | -55.2 | 0 | 0 | 0 | 0 | 113 | G692 T693 I694 Y699 S700 | G692-T696 VanDerWaalsContact C-OG1 3.3Å; G692-T696 VanDerWaalsContact O-CB 3.29Å; G692-T696 WeakPolarHBondContact O-CB 3.3Å; G692-T696 PolarHBondContact O-OG1 3.06Å; T693-T696 PolarHBondContact O-N 2.64Å; I694-T696 VanDerWaalsContact C-N 3.34Å; I694-T696 PolarHBondContact O-N 3.3Å; T696-Y699 PolarHBondContact O-N 3.42Å; T696-S700 WeakPolarHBondContact O-CB 3.33Å; T696-S700 PolarHBondContact O-N 3.4Å |
| 697 | F | 79 | Confident | 70 | Confident | 129 Ų | 129 | 68.8 Ų | 68.8 | 57% | 0.566 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -62.1 | -46.6 | 173.4 | 174.4 | -99.2 | 0 | 0 | 0 | 111.4 | T693 I694 S695 Y699 S700 M701 | T693-F697 WeakPolarHBondContact O-CB 3.43Å; T693-F697 PolarHBondContact O-N 3.45Å; I694-F697 PolarHBondContact O-N 3.19Å; S695-F697 PolarHBondContact O-N 3.02Å; F697-Y699 VanDerWaalsContact C-N 3.35Å; F697-Y699 PolarHBondContact O-N 3.45Å; F697-S700 PolarHBondContact O-N 2.91Å; F697-M701 HydrophobicContact CE1-CB 4.35Å; F697-M701 HydrophobicContact CE1-CE 4.36Å; F697-M701 HydrophobicContact CE1-SD 3.67Å; F697-M701 HydrophobicContact CZ-CB 4.33Å; F697-M701 HydrophobicContact CZ-CG 4.43Å; F697-M701 HydrophobicContact CZ-SD 3.74Å; F697-M701 WeakPolarHBondContact O-CB 3.26Å; F697-M701 PolarHBondContact O-N 3.49Å |
| 698 | L | 81.3 | Confident | 72.7 | Confident | 58 Ų | 58 | 70 Ų | 70 | 30% | 0.304 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 178.2 | -69.8 | 173.3 | 0 | 0 | 0 | 111.8 | I694 S695 M701 S702 V742 I746 | I694-L698 HydrophobicContact CG2-CD1 3.69Å; I694-L698 HydrophobicContact CG2-CG 4.09Å; I694-L698 WeakPolarHBondContact O-CB 3.27Å; I694-L698 WeakPolarHBondContact O-CG 3.44Å; I694-L698 PolarHBondContact O-N 2.89Å; S695-L698 PolarHBondContact O-N 2.94Å; L698-M701 HydrophobicContact CD2-CE 4.03Å; L698-S702 WeakPolarHBondContact O-CB 3.22Å; L698-S702 PolarHBondContact O-N 2.8Å; L698-V742 HydrophobicContact CB-CG1 3.7Å; L698-I746 HydrophobicContact CD1-CD1 4.37Å |
| 699 | Y | 85.8 | Confident | 75.4 | Confident | 60 Ų | 60 | 69.6 Ų | 69.6 | 24% | 0.235 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.4 | -53.4 | 172.4 | -62.1 | -28.3 | 0 | 0 | 0 | 110.2 | S695 T696 F697 G703 Q739 V742 A743 I746 | S695-Y699 WeakPolarHBondContact O-CB 3.45Å; S695-Y699 WeakPolarHBondContact O-CD1 3.43Å; S695-Y699 WeakPolarHBondContact O-CD2 3.47Å; S695-Y699 PolarHBondContact O-N 3.29Å; T696-Y699 PolarHBondContact O-N 3.42Å; F697-Y699 VanDerWaalsContact C-N 3.35Å; F697-Y699 PolarHBondContact O-N 3.45Å; Y699-G703 PolarHBondContact O-N 3.15Å; Y699-Q739 VanDerWaalsContact O-CG 3.24Å; Y699-Q739 WeakPolarHBondContact O-CG 3.02Å; Y699-V742 HydrophobicContact CD1-CB 3.84Å; Y699-V742 HydrophobicContact CD1-CG1 3.56Å; Y699-V742 HydrophobicContact CE1-CB 4.13Å; Y699-V742 HydrophobicContact CE1-CG1 3.67Å; Y699-A743 HydrophobicContact CD1-CB 4.47Å; Y699-A743 HydrophobicContact CE1-CB 3.71Å; Y699-I746 HydrophobicContact CE1-CD1 3.83Å |
| 700 | S | 85.2 | Confident | 77.9 | Confident | 64 Ų | 64 | 61.9 Ų | 61.9 | 45% | 0.448 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | -179.6 | -176.4 | 0 | 0 | 0 | 0 | 112.2 | T696 F697 S704 | T696-S700 WeakPolarHBondContact O-CB 3.33Å; T696-S700 PolarHBondContact O-N 3.4Å; F697-S700 PolarHBondContact O-N 2.91Å; S700-S704 WeakPolarHBondContact O-CB 3.32Å; S700-S704 PolarHBondContact O-N 2.81Å; S700-S704 PolarHBondContact O-OG 2.92Å |
| 701 | M | 88.3 | Confident | 80.6 | Confident | 74 Ų | 74 | 62.9 Ų | 62.9 | 37% | 0.365 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.5 | -50.8 | 179.6 | -173 | -178.6 | 73.4 | 0 | 0 | 111.2 | F697 L698 S704 L705 | F697-M701 HydrophobicContact CE1-CB 4.35Å; F697-M701 HydrophobicContact CE1-CE 4.36Å; F697-M701 HydrophobicContact CE1-SD 3.67Å; F697-M701 HydrophobicContact CZ-CB 4.33Å; F697-M701 HydrophobicContact CZ-CG 4.43Å; F697-M701 HydrophobicContact CZ-SD 3.74Å; F697-M701 WeakPolarHBondContact O-CB 3.26Å; F697-M701 PolarHBondContact O-N 3.49Å; L698-M701 HydrophobicContact CD2-CE 4.03Å; M701-S704 PolarHBondContact O-N 2.9Å; M701-S704 PolarHBondContact O-OG 3.09Å; M701-L705 HydrophobicContact CG-CD1 3.9Å; M701-L705 HydrophobicContact CG-CG 4.43Å; M701-L705 WeakPolarHBondContact O-CB 3.23Å; M701-L705 WeakPolarHBondContact O-CG 3.31Å; M701-L705 PolarHBondContact O-N 2.78Å |
| 702 | S | 91.5 | Very high | 83.2 | Confident | 28 Ų | 28 | 62.8 Ų | 62.8 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 178.2 | 179.5 | 0 | 0 | 0 | 0 | 111.9 | L698 L706 G738 V742 | L698-S702 WeakPolarHBondContact O-CB 3.22Å; L698-S702 PolarHBondContact O-N 2.8Å; S702-L706 VanDerWaalsContact O-CB 3.32Å; S702-L706 WeakPolarHBondContact O-CB 3.41Å; S702-L706 PolarHBondContact O-N 3Å; S702-G738 WeakPolarHBondContact CB-O 3.37Å; S702-G738 PolarHBondContact OG-O 3.34Å; S702-V742 WeakPolarHBondContact OG-CG2 3.45Å |
| 703 | G | 93 | Very high | 85.1 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.2 | -49 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y699 S707 H735 | Y699-G703 PolarHBondContact O-N 3.15Å; G703-S707 WeakPolarHBondContact O-CB 3.37Å; G703-S707 PolarHBondContact O-N 3.49Å; G703-H735 VanDerWaalsContact CA-O 3.26Å; G703-H735 WeakPolarHBondContact CA-O 3.41Å; G703-H735 WeakPolarHBondContact O-CA 2.75Å |
| 704 | S | 92.1 | Very high | 86.6 | Confident | 55 Ų | 55 | 65.4 Ų | 65.4 | 39% | 0.385 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | -178.5 | 74.3 | 0 | 0 | 0 | 0 | 113.1 | S700 M701 Y708 | S700-S704 WeakPolarHBondContact O-CB 3.32Å; S700-S704 PolarHBondContact O-N 2.81Å; S700-S704 PolarHBondContact O-OG 2.92Å; M701-S704 PolarHBondContact O-N 2.9Å; M701-S704 PolarHBondContact O-OG 3.09Å; S704-Y708 VanDerWaalsContact O-CB 3.23Å; S704-Y708 WeakPolarHBondContact O-CB 3.41Å; S704-Y708 PolarHBondContact O-N 2.94Å |
| 705 | L | 93.3 | Very high | 87.6 | Confident | 83 Ų | 83 | 66.4 Ų | 66.4 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.6 | -47.3 | -178.8 | -71.7 | 173.9 | 0 | 0 | 0 | 111.1 | M701 S707 Y708 F709 | M701-L705 HydrophobicContact CG-CD1 3.9Å; M701-L705 HydrophobicContact CG-CG 4.43Å; M701-L705 WeakPolarHBondContact O-CB 3.23Å; M701-L705 WeakPolarHBondContact O-CG 3.31Å; M701-L705 PolarHBondContact O-N 2.78Å; L705-S707 VanDerWaalsContact C-N 3.3Å; L705-S707 PolarHBondContact O-N 3.21Å; L705-Y708 PolarHBondContact O-N 2.98Å; L705-F709 HydrophobicContact CD2-CE2 4.23Å; L705-F709 WeakPolarHBondContact O-CD2 3.47Å; L705-F709 PolarHBondContact O-N 3.14Å |
| 706 | L | 93.4 | Very high | 88.5 | Confident | 70 Ų | 70 | 69.7 Ų | 69.7 | 37% | 0.366 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 179 | -170.8 | 63.2 | 0 | 0 | 0 | 111.1 | S702 G710 L734 V737 | S702-L706 VanDerWaalsContact O-CB 3.32Å; S702-L706 WeakPolarHBondContact O-CB 3.41Å; S702-L706 PolarHBondContact O-N 3Å; L706-G710 WeakPolarHBondContact O-CA 3.49Å; L706-G710 PolarHBondContact O-N 3.35Å; L706-L734 HydrophobicContact CD2-CD2 4.42Å; L706-L734 HydrophobicContact CG-CB 4.3Å; L706-L734 HydrophobicContact CG-CD2 4.32Å; L706-V737 HydrophobicContact CD2-CB 4.09Å; L706-V737 HydrophobicContact CD2-CG1 3.81Å |
| 707 | S | 95.2 | Very high | 88.9 | Confident | 13 Ų | 13 | 70.6 Ų | 70.6 | 9% | 0.091 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.3 | -48.7 | 172.7 | -172.1 | 0 | 0 | 0 | 0 | 111.9 | G703 L705 G710 M711 G731 | G703-S707 WeakPolarHBondContact O-CB 3.37Å; G703-S707 PolarHBondContact O-N 3.49Å; L705-S707 VanDerWaalsContact C-N 3.3Å; L705-S707 PolarHBondContact O-N 3.21Å; S707-G710 PolarHBondContact O-N 2.83Å; S707-M711 WeakPolarHBondContact O-CB 3.21Å; S707-M711 VanDerWaalsContact O-CG 3.27Å; S707-M711 WeakPolarHBondContact O-CG 3.48Å; S707-M711 PolarHBondContact O-N 2.93Å; S707-G731 WeakPolarHBondContact CB-O 3.42Å; S707-G731 VanDerWaalsContact OG-C 3.23Å; S707-G731 VanDerWaalsContact OG-CA 3.26Å; S707-G731 WeakPolarHBondContact OG-CA 3.45Å; S707-G731 PolarHBondContact OG-O 3.04Å |
| 708 | Y | 93.9 | Very high | 88.9 | Confident | 132 Ų | 132 | 65.5 Ų | 65.5 | 52% | 0.518 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.4 | -53.8 | -178.7 | 177.6 | -105 | 0 | 0 | 0 | 112.7 | S704 L705 G710 M711 L712 | S704-Y708 VanDerWaalsContact O-CB 3.23Å; S704-Y708 WeakPolarHBondContact O-CB 3.41Å; S704-Y708 PolarHBondContact O-N 2.94Å; L705-Y708 PolarHBondContact O-N 2.98Å; Y708-G710 VanDerWaalsContact C-N 3.3Å; Y708-G710 PolarHBondContact O-N 3.48Å; Y708-M711 PolarHBondContact O-N 3.27Å; Y708-L712 HydrophobicContact CD1-CD1 4.08Å; Y708-L712 HydrophobicContact CE1-CD1 3.5Å; Y708-L712 HydrophobicContact CE1-CG 4.4Å; Y708-L712 HydrophobicContact CE2-CD1 4.37Å; Y708-L712 WeakPolarHBondContact O-CG 3.29Å; Y708-L712 PolarHBondContact O-N 3.45Å |
| 709 | F | 92.3 | Very high | 88.6 | Confident | 127 Ų | 127 | 67.9 Ų | 67.9 | 56% | 0.557 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.9 | -35.8 | 178.7 | -72.3 | -64.5 | 0 | 0 | 0 | 112 | L705 L712 L713 | L705-F709 HydrophobicContact CD2-CE2 4.23Å; L705-F709 WeakPolarHBondContact O-CD2 3.47Å; L705-F709 PolarHBondContact O-N 3.14Å; F709-L712 HydrophobicContact CD1-CD1 4.38Å; F709-L712 PolarHBondContact O-N 2.8Å; F709-L713 WeakPolarHBondContact O-CB 3.48Å; F709-L713 PolarHBondContact O-N 2.74Å |
| 710 | G | 89.9 | Confident | 88.1 | Confident | 9 Ų | 9 | 75.2 Ų | 75.2 | 9% | 0.093 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.2 | -48.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L706 S707 Y708 L712 L713 V714 L734 | L706-G710 WeakPolarHBondContact O-CA 3.49Å; L706-G710 PolarHBondContact O-N 3.35Å; S707-G710 PolarHBondContact O-N 2.83Å; Y708-G710 VanDerWaalsContact C-N 3.3Å; Y708-G710 PolarHBondContact O-N 3.48Å; G710-L712 VanDerWaalsContact C-N 3.32Å; G710-L712 PolarHBondContact O-N 2.8Å; G710-L713 WeakPolarHBondContact O-CB 3.38Å; G710-L713 PolarHBondContact O-N 3.25Å; G710-V714 VanDerWaalsContact O-CG2 3.31Å; G710-V714 WeakPolarHBondContact O-CG2 3.36Å; G710-V714 PolarHBondContact O-N 2.67Å; G710-L734 VanDerWaalsContact CA-CD1 3.41Å |
| 711 | M | 93 | Very high | 87.9 | Confident | 58 Ų | 58 | 81.7 Ų | 81.7 | 29% | 0.286 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 175.8 | -74.6 | -172.8 | -69.5 | 0 | 0 | 111.8 | S707 Y708 V714 K715 I727 | S707-M711 WeakPolarHBondContact O-CB 3.21Å; S707-M711 VanDerWaalsContact O-CG 3.27Å; S707-M711 WeakPolarHBondContact O-CG 3.48Å; S707-M711 PolarHBondContact O-N 2.93Å; Y708-M711 PolarHBondContact O-N 3.27Å; M711-V714 PolarHBondContact O-N 2.64Å; M711-K715 WeakPolarHBondContact O-CB 3.46Å; M711-K715 PolarHBondContact O-N 3.47Å; M711-I727 HydrophobicContact CB-CG2 3.72Å; M711-I727 HydrophobicContact CG-CG2 3.82Å; M711-I727 WeakPolarHBondContact CG-O 3.41Å; M711-I727 HydrophobicContact SD-CG2 4.33Å |
| 712 | L | 89.2 | Confident | 87.7 | Confident | 70 Ų | 70 | 79.6 Ų | 79.6 | 37% | 0.366 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 174.1 | -72.2 | 179 | 0 | 0 | 0 | 112.2 | Y708 F709 G710 K715 S716 | Y708-L712 HydrophobicContact CD1-CD1 4.08Å; Y708-L712 HydrophobicContact CE1-CD1 3.5Å; Y708-L712 HydrophobicContact CE1-CG 4.4Å; Y708-L712 HydrophobicContact CE2-CD1 4.37Å; Y708-L712 WeakPolarHBondContact O-CG 3.29Å; Y708-L712 PolarHBondContact O-N 3.45Å; F709-L712 HydrophobicContact CD1-CD1 4.38Å; F709-L712 PolarHBondContact O-N 2.8Å; G710-L712 VanDerWaalsContact C-N 3.32Å; G710-L712 PolarHBondContact O-N 2.8Å; L712-K715 PolarHBondContact O-N 2.72Å; L712-S716 PolarHBondContact O-N 3.44Å |
| 713 | L | 88.2 | Confident | 87.5 | Confident | 124 Ų | 124 | 81.6 Ų | 81.6 | 65% | 0.649 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -64 | -46.4 | 176.2 | -173.4 | 70.5 | 0 | 0 | 0 | 111.1 | F709 G710 K715 S716 | F709-L713 WeakPolarHBondContact O-CB 3.48Å; F709-L713 PolarHBondContact O-N 2.74Å; G710-L713 WeakPolarHBondContact O-CB 3.38Å; G710-L713 PolarHBondContact O-N 3.25Å; L713-K715 VanDerWaalsContact C-N 3.32Å; L713-K715 PolarHBondContact O-N 3.28Å; L713-S716 WeakPolarHBondContact O-CB 3.37Å; L713-S716 PolarHBondContact O-N 2.9Å; L713-S716 VanDerWaalsContact O-N 3.11Å; L713-S716 PolarHBondContact O-OG 2.89Å |
| 714 | V | 88.6 | Confident | 87.2 | Confident | 30 Ų | 30 | 85.4 Ų | 85.4 | 18% | 0.182 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 177.4 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | G710 M711 S716 L717 V722 I727 A730 | G710-V714 VanDerWaalsContact O-CG2 3.31Å; G710-V714 WeakPolarHBondContact O-CG2 3.36Å; G710-V714 PolarHBondContact O-N 2.67Å; M711-V714 PolarHBondContact O-N 2.64Å; V714-S716 VanDerWaalsContact C-N 3.26Å; V714-S716 PolarHBondContact O-N 3.04Å; V714-L717 WeakPolarHBondContact O-CB 3.48Å; V714-L717 PolarHBondContact O-N 3.39Å; V714-V722 HydrophobicContact CG1-CB 4.15Å; V714-V722 HydrophobicContact CG1-CG1 3.67Å; V714-V722 HydrophobicContact CG1-CG2 3.94Å; V714-I727 HydrophobicContact CG1-CG1 3.96Å; V714-A730 HydrophobicContact CG2-CB 3.91Å |
| 715 | K | 86.4 | Confident | 87 | Confident | 118 Ų | 118 | 85.3 Ų | 85.3 | 51% | 0.513 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61 | -34.1 | 173.3 | -177 | -175.7 | 177.3 | -176.7 | 0 | 112.1 | M711 L712 L713 L717 G718 I727 | M711-K715 WeakPolarHBondContact O-CB 3.46Å; M711-K715 PolarHBondContact O-N 3.47Å; L712-K715 PolarHBondContact O-N 2.72Å; L713-K715 VanDerWaalsContact C-N 3.32Å; L713-K715 PolarHBondContact O-N 3.28Å; K715-L717 PolarHBondContact O-N 2.99Å; K715-G718 PolarHBondContact O-N 3.42Å; K715-I727 HydrophobicContact CB-CD1 4.07Å; K715-I727 HydrophobicContact CG-CD1 4.35Å |
| 716 | S | 84.5 | Confident | 86.8 | Confident | 87 Ų | 87 | 82.6 Ų | 82.6 | 61% | 0.608 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63.3 | -20.9 | 178.7 | 82.1 | 0 | 0 | 0 | 0 | 113.6 | L712 L713 V714 G718 | L712-S716 PolarHBondContact O-N 3.44Å; L713-S716 WeakPolarHBondContact O-CB 3.37Å; L713-S716 PolarHBondContact O-N 2.9Å; L713-S716 VanDerWaalsContact O-N 3.11Å; L713-S716 PolarHBondContact O-OG 2.89Å; V714-S716 VanDerWaalsContact C-N 3.26Å; V714-S716 PolarHBondContact O-N 3.04Å; S716-G718 PolarHBondContact O-N 3.43Å |
| 717 | L | 83.6 | Confident | 86.7 | Confident | 93 Ų | 93 | 80.8 Ų | 80.8 | 49% | 0.487 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -13.7 | 174 | -59.2 | 174.4 | 0 | 0 | 0 | 113.2 | V714 K715 R721 V722 | V714-L717 WeakPolarHBondContact O-CB 3.48Å; V714-L717 PolarHBondContact O-N 3.39Å; K715-L717 PolarHBondContact O-N 2.99Å; L717-R721 HydrophobicContact CB-CB 4.39Å; L717-V722 HydrophobicContact CB-CG2 4.17Å; L717-V722 HydrophobicContact CD1-CG2 4.03Å |
| 718 | G | 77.7 | Confident | 86.7 | Confident | 23 Ų | 23 | 81 Ų | 81 | 24% | 0.237 | 42% | 0.419 | C | S | . | . | trans | 89.5 | 156.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K715 S716 K720 R721 V722 | K715-G718 PolarHBondContact O-N 3.42Å; S716-G718 PolarHBondContact O-N 3.43Å; G718-K720 PolarHBondContact O-N 3.11Å; G718-K720 VanDerWaalsContact O-N 3.17Å; G718-R721 PolarHBondContact O-N 3.15Å; G718-V722 PolarHBondContact O-N 3.46Å | ||
| 719 | P | 75.2 | Confident | 86.6 | Confident | 108 Ų | 108 | 75.5 Ų | 75.5 | 70% | 0.701 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -19.1 | -171.6 | 27.3 | -35.7 | 0 | 0 | 0 | 113.9 | R721 | P719-R721 VanDerWaalsContact C-N 3.29Š|
| 720 | K | 76 | Confident | 86.7 | Confident | 213 Ų | 213 | 70.6 Ų | 70.6 | 93% | 0.926 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -20.6 | 175.3 | -69.6 | -170.9 | 176.3 | -174.2 | 0 | 112.9 | G718 | G718-K720 PolarHBondContact O-N 3.11Å; G718-K720 VanDerWaalsContact O-N 3.17Å |
| 721 | R | 80.2 | Confident | 86.9 | Confident | 201 Ų | 201 | 70.3 Ų | 70.3 | 76% | 0.758 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -31.2 | -175.7 | -66.4 | -169.4 | 178.9 | -172.6 | 1 | 113 | L717 G718 P719 | L717-R721 HydrophobicContact CB-CB 4.39Å; G718-R721 PolarHBondContact O-N 3.15Å; P719-R721 VanDerWaalsContact C-N 3.29Å |
| 722 | V | 85.3 | Confident | 86.9 | Confident | 30 Ų | 30 | 68.2 Ų | 68.2 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | trans | -137.3 | 130.5 | -176.6 | -161.5 | 0 | 0 | 0 | 0 | 110.8 | V714 L717 G718 I727 | V714-V722 HydrophobicContact CG1-CB 4.15Å; V714-V722 HydrophobicContact CG1-CG1 3.67Å; V714-V722 HydrophobicContact CG1-CG2 3.94Å; L717-V722 HydrophobicContact CB-CG2 4.17Å; L717-V722 HydrophobicContact CD1-CG2 4.03Å; G718-V722 PolarHBondContact O-N 3.46Å; V722-I727 HydrophobicContact CB-CG1 4.4Å; V722-I727 HydrophobicContact CG1-CG1 3.94Å | ||
| 723 | S | 86.8 | Confident | 87.2 | Confident | 70 Ų | 70 | 68.3 Ų | 68.3 | 49% | 0.49 | 37% | 0.371 | S | S | . | . | trans | -78.1 | 163.8 | 173.2 | 67.9 | 0 | 0 | 0 | 0 | 111.6 | I725 G726 I727 | S723-I725 PolarHBondContact O-N 3.18Å; S723-G726 WeakPolarHBondContact O-CA 3.3Å; S723-G726 PolarHBondContact O-N 3.03Å; S723-G726 PolarHBondContact OG-N 2.98Å; S723-I727 WeakPolarHBondContact O-CG1 3.38Å; S723-I727 PolarHBondContact O-N 3.39Å | ||
| 724 | I | 86.1 | Confident | 87.5 | Confident | 79 Ų | 79 | 64.1 Ų | 64.1 | 41% | 0.405 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -55.4 | -39.6 | 172.3 | -65.4 | 173.2 | 0 | 0 | 0 | 110.8 | I727 S728 L778 | I724-I727 PolarHBondContact O-N 2.9Å; I724-S728 WeakPolarHBondContact O-CB 3.35Å; I724-S728 PolarHBondContact O-N 2.74Å; I724-L778 HydrophobicContact CD1-CD1 3.77Å |
| 725 | I | 88.6 | Confident | 87.8 | Confident | 54 Ų | 54 | 65.2 Ų | 65.2 | 28% | 0.277 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 176.1 | -57.2 | 171.7 | 0 | 0 | 0 | 110.5 | S723 S728 A729 I768 I772 | S723-I725 PolarHBondContact O-N 3.18Å; I725-S728 PolarHBondContact O-N 2.91Å; I725-A729 WeakPolarHBondContact O-CB 2.97Å; I725-A729 PolarHBondContact O-N 3.42Å; I725-I768 HydrophobicContact CG2-CB 4.39Å; I725-I768 HydrophobicContact CG2-CG1 4.36Å; I725-I768 HydrophobicContact CG2-CG2 4.08Å; I725-I772 HydrophobicContact CD1-CG1 3.87Å; I725-I772 HydrophobicContact CG1-CG1 4.33Å |
| 726 | G | 89 | Confident | 88.2 | Confident | 25 Ų | 25 | 60.5 Ų | 60.5 | 26% | 0.258 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S723 A729 A730 | S723-G726 WeakPolarHBondContact O-CA 3.3Å; S723-G726 PolarHBondContact O-N 3.03Å; S723-G726 PolarHBondContact OG-N 2.98Å; G726-A729 PolarHBondContact O-N 3.19Å; G726-A730 PolarHBondContact O-N 2.94Å; G726-A730 VanDerWaalsContact O-N 3.07Å |
| 727 | I | 92.1 | Very high | 88.6 | Confident | 32 Ų | 32 | 57.9 Ų | 57.9 | 16% | 0.164 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 173.5 | -65 | 166.2 | 0 | 0 | 0 | 110 | M711 V714 K715 V722 S723 I724 A730 G731 | M711-I727 HydrophobicContact CB-CG2 3.72Å; M711-I727 HydrophobicContact CG-CG2 3.82Å; M711-I727 WeakPolarHBondContact CG-O 3.41Å; M711-I727 HydrophobicContact SD-CG2 4.33Å; V714-I727 HydrophobicContact CG1-CG1 3.96Å; K715-I727 HydrophobicContact CB-CD1 4.07Å; K715-I727 HydrophobicContact CG-CD1 4.35Å; V722-I727 HydrophobicContact CB-CG1 4.4Å; V722-I727 HydrophobicContact CG1-CG1 3.94Å; S723-I727 WeakPolarHBondContact O-CG1 3.38Å; S723-I727 PolarHBondContact O-N 3.39Å; I724-I727 PolarHBondContact O-N 2.9Å; I727-A730 PolarHBondContact O-N 2.74Å; I727-G731 PolarHBondContact O-N 2.96Å |
| 728 | S | 93.8 | Very high | 89.1 | Confident | 19 Ų | 19 | 53.5 Ų | 53.5 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 179.1 | -173 | 0 | 0 | 0 | 0 | 112.6 | I724 I725 G731 G732 G767 G771 | I724-S728 WeakPolarHBondContact O-CB 3.35Å; I724-S728 PolarHBondContact O-N 2.74Å; I725-S728 PolarHBondContact O-N 2.91Å; S728-G731 WeakPolarHBondContact O-CA 3.48Å; S728-G731 PolarHBondContact O-N 3.39Å; S728-G731 VanDerWaalsContact O-N 3.17Å; S728-G732 PolarHBondContact O-N 3.38Å; S728-G767 WeakPolarHBondContact CB-O 3.43Å; S728-G767 WeakPolarHBondContact O-CA 3.37Å; S728-G767 PolarHBondContact OG-O 3.32Å; S728-G771 PolarHBondContact OG-N 3.24Å |
| 729 | A | 93 | Very high | 89.8 | Confident | 16 Ų | 16 | 55.1 Ų | 55.1 | 13% | 0.132 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I725 G726 G731 G732 F733 I768 | I725-A729 WeakPolarHBondContact O-CB 2.97Å; I725-A729 PolarHBondContact O-N 3.42Å; G726-A729 PolarHBondContact O-N 3.19Å; A729-G731 VanDerWaalsContact C-N 3.31Å; A729-G731 PolarHBondContact O-N 3.44Å; A729-G732 PolarHBondContact O-N 2.98Å; A729-F733 PolarHBondContact O-N 2.76Å; A729-F733 VanDerWaalsContact O-N 3.08Å; A729-I768 HydrophobicContact CB-CG1 3.97Å |
| 730 | A | 92.9 | Very high | 90.5 | Very high | 24 Ų | 24 | 50.7 Ų | 50.7 | 20% | 0.198 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.1 | -39 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V714 G726 I727 F733 L734 | V714-A730 HydrophobicContact CG2-CB 3.91Å; G726-A730 PolarHBondContact O-N 2.94Å; G726-A730 VanDerWaalsContact O-N 3.07Å; I727-A730 PolarHBondContact O-N 2.74Å; A730-F733 PolarHBondContact O-N 3.29Å; A730-L734 WeakPolarHBondContact O-CB 3.25Å; A730-L734 WeakPolarHBondContact O-CG 3.32Å; A730-L734 PolarHBondContact O-N 2.89Å |
| 731 | G | 94.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.9 | -45.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | S707 I727 S728 A729 L734 H735 | S707-G731 WeakPolarHBondContact CB-O 3.42Å; S707-G731 VanDerWaalsContact OG-C 3.23Å; S707-G731 VanDerWaalsContact OG-CA 3.26Å; S707-G731 WeakPolarHBondContact OG-CA 3.45Å; S707-G731 PolarHBondContact OG-O 3.04Å; I727-G731 PolarHBondContact O-N 2.96Å; S728-G731 WeakPolarHBondContact O-CA 3.48Å; S728-G731 PolarHBondContact O-N 3.39Å; S728-G731 VanDerWaalsContact O-N 3.17Å; A729-G731 VanDerWaalsContact C-N 3.31Å; A729-G731 PolarHBondContact O-N 3.44Å; G731-L734 PolarHBondContact O-N 2.96Å; G731-H735 WeakPolarHBondContact O-CB 3.46Å; G731-H735 PolarHBondContact O-N 3.31Å |
| 732 | G | 93.7 | Very high | 91.6 | Very high | 14 Ų | 14 | 36.5 Ų | 36.5 | 14% | 0.144 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65 | -40.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | S728 A729 G763 | S728-G732 PolarHBondContact O-N 3.38Å; A729-G732 PolarHBondContact O-N 2.98Å; G732-G763 CarbonylContact C-O 3.57Å; G732-G763 WeakPolarHBondContact CA-O 3.26Å |
| 733 | F | 94.5 | Very high | 91.5 | Very high | 73 Ų | 73 | 35.8 Ų | 35.8 | 32% | 0.32 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.9 | -53.1 | 171.3 | 168.1 | -108.2 | 0 | 0 | 0 | 111.9 | A729 A730 H735 N736 V737 S760 I764 | A729-F733 PolarHBondContact O-N 2.76Å; A729-F733 VanDerWaalsContact O-N 3.08Å; A730-F733 PolarHBondContact O-N 3.29Å; F733-H735 VanDerWaalsContact C-N 3.3Å; F733-H735 PolarHBondContact O-N 3.3Å; F733-N736 PolarHBondContact O-N 2.81Å; F733-V737 HydrophobicContact CD1-CG2 4.35Å; F733-V737 HydrophobicContact CD2-CG2 4.27Å; F733-V737 HydrophobicContact CE1-CG2 3.92Å; F733-V737 HydrophobicContact CE2-CG2 3.84Å; F733-V737 HydrophobicContact CZ-CG2 3.65Å; F733-V737 WeakPolarHBondContact O-CG2 3.37Å; F733-V737 PolarHBondContact O-N 3.31Å; F733-V737 VanDerWaalsContact O-N 3.1Å; F733-S760 WeakPolarHBondContact CD2-OG 3.26Å; F733-S760 VanDerWaalsContact CE2-OG 3.24Å; F733-S760 WeakPolarHBondContact CE2-OG 3.48Å; F733-I764 HydrophobicContact CB-CG1 4.03Å |
| 734 | L | 95.6 | Very high | 91.3 | Very high | 35 Ų | 35 | 32.9 Ų | 32.9 | 18% | 0.183 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.4 | -29.1 | -176.1 | -72.8 | 173.7 | 0 | 0 | 0 | 113.3 | L706 G710 A730 G731 N736 V737 G738 | L706-L734 HydrophobicContact CD2-CD2 4.42Å; L706-L734 HydrophobicContact CG-CB 4.3Å; L706-L734 HydrophobicContact CG-CD2 4.32Å; G710-L734 VanDerWaalsContact CA-CD1 3.41Å; A730-L734 WeakPolarHBondContact O-CB 3.25Å; A730-L734 WeakPolarHBondContact O-CG 3.32Å; A730-L734 PolarHBondContact O-N 2.89Å; G731-L734 PolarHBondContact O-N 2.96Å; L734-N736 VanDerWaalsContact C-N 3.33Å; L734-N736 PolarHBondContact O-N 3.03Å; L734-V737 PolarHBondContact O-N 2.97Å; L734-G738 PolarHBondContact O-N 3.04Å |
| 735 | H | 95.1 | Very high | 91 | Very high | 53 Ų | 53 | 37.5 Ų | 37.5 | 25% | 0.245 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59 | -46.3 | 172.6 | -172.7 | -84.8 | 0 | 0 | 0 | 111.4 | G703 G731 F733 G738 Q739 | G703-H735 VanDerWaalsContact CA-O 3.26Å; G703-H735 WeakPolarHBondContact CA-O 3.41Å; G703-H735 WeakPolarHBondContact O-CA 2.75Å; G731-H735 WeakPolarHBondContact O-CB 3.46Å; G731-H735 PolarHBondContact O-N 3.31Å; F733-H735 VanDerWaalsContact C-N 3.3Å; F733-H735 PolarHBondContact O-N 3.3Å; H735-G738 PolarHBondContact O-N 2.88Å; H735-Q739 PolarHBondContact ND1-OE1 3.46Å; H735-Q739 WeakPolarHBondContact O-CG 3.42Å; H735-Q739 PolarHBondContact O-N 3.44Å; H735-Q739 VanDerWaalsContact O-N 3.12Å |
| 736 | N | 94.1 | Very high | 90.3 | Very high | 19 Ų | 19 | 39 Ų | 39 | 10% | 0.102 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.3 | -36.5 | -179.8 | -68.9 | -8.6 | 0 | 0 | 0 | 112.1 | F733 L734 G738 Q739 L740 M759 G763 | F733-N736 PolarHBondContact O-N 2.81Å; L734-N736 VanDerWaalsContact C-N 3.33Å; L734-N736 PolarHBondContact O-N 3.03Å; N736-G738 VanDerWaalsContact C-N 3.33Å; N736-G738 PolarHBondContact O-N 2.74Å; N736-Q739 PolarHBondContact O-N 2.79Å; N736-L740 WeakPolarHBondContact O-CG 3.18Å; N736-L740 PolarHBondContact O-N 2.68Å; N736-M759 HydrophobicContact CB-CB 4.22Å; N736-M759 PolarHBondContact ND2-O 3.15Å; N736-G763 VanDerWaalsContact ND2-CA 3.31Å; N736-G763 WeakPolarHBondContact ND2-CA 3.25Å |
| 737 | V | 93.5 | Very high | 89.6 | Confident | 33 Ų | 33 | 40.4 Ų | 40.4 | 20% | 0.2 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.9 | -47.1 | 171.8 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | L706 F733 L734 Q739 L740 F741 L756 | L706-V737 HydrophobicContact CD2-CB 4.09Å; L706-V737 HydrophobicContact CD2-CG1 3.81Å; F733-V737 HydrophobicContact CD1-CG2 4.35Å; F733-V737 HydrophobicContact CD2-CG2 4.27Å; F733-V737 HydrophobicContact CE1-CG2 3.92Å; F733-V737 HydrophobicContact CE2-CG2 3.84Å; F733-V737 HydrophobicContact CZ-CG2 3.65Å; F733-V737 WeakPolarHBondContact O-CG2 3.37Å; F733-V737 PolarHBondContact O-N 3.31Å; F733-V737 VanDerWaalsContact O-N 3.1Å; L734-V737 PolarHBondContact O-N 2.97Å; V737-Q739 VanDerWaalsContact C-N 3.33Å; V737-Q739 PolarHBondContact O-N 2.71Å; V737-L740 PolarHBondContact O-N 2.91Å; V737-F741 WeakPolarHBondContact O-CB 3.43Å; V737-F741 PolarHBondContact O-N 2.66Å; V737-L756 HydrophobicContact CG2-CD1 3.78Å |
| 738 | G | 92.5 | Very high | 88.8 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.7 | -39.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S702 L734 H735 N736 V742 | S702-G738 WeakPolarHBondContact CB-O 3.37Å; S702-G738 PolarHBondContact OG-O 3.34Å; L734-G738 PolarHBondContact O-N 3.04Å; H735-G738 PolarHBondContact O-N 2.88Å; N736-G738 VanDerWaalsContact C-N 3.33Å; N736-G738 PolarHBondContact O-N 2.74Å; G738-V742 PolarHBondContact O-N 2.76Å |
| 739 | Q | 92.9 | Very high | 87.9 | Confident | 56 Ų | 56 | 47.3 Ų | 47.3 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.3 | -48.5 | 175 | -72.8 | -176.3 | -49.1 | 0 | 0 | 112.2 | Y699 H735 N736 V737 F741 V742 A743 | Y699-Q739 VanDerWaalsContact O-CG 3.24Å; Y699-Q739 WeakPolarHBondContact O-CG 3.02Å; H735-Q739 PolarHBondContact ND1-OE1 3.46Å; H735-Q739 WeakPolarHBondContact O-CG 3.42Å; H735-Q739 PolarHBondContact O-N 3.44Å; H735-Q739 VanDerWaalsContact O-N 3.12Å; N736-Q739 PolarHBondContact O-N 2.79Å; V737-Q739 VanDerWaalsContact C-N 3.33Å; V737-Q739 PolarHBondContact O-N 2.71Å; Q739-F741 VanDerWaalsContact C-N 3.31Å; Q739-F741 PolarHBondContact O-N 3.32Å; Q739-V742 PolarHBondContact O-N 3.44Å; Q739-A743 WeakPolarHBondContact O-CB 3.5Å; Q739-A743 PolarHBondContact O-N 3Å |
| 740 | L | 91.3 | Very high | 87.4 | Confident | 16 Ų | 16 | 55.5 Ų | 55.5 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66 | -33.4 | -179.3 | -72.6 | 172.1 | 0 | 0 | 0 | 112.5 | N736 V737 A743 S744 V752 M753 L756 M759 | N736-L740 WeakPolarHBondContact O-CG 3.18Å; N736-L740 PolarHBondContact O-N 2.68Å; V737-L740 PolarHBondContact O-N 2.91Å; L740-A743 PolarHBondContact O-N 2.99Å; L740-S744 WeakPolarHBondContact O-CB 3.33Å; L740-S744 PolarHBondContact O-N 3.41Å; L740-V752 HydrophobicContact CD2-CG1 3.89Å; L740-M753 HydrophobicContact CB-CE 4.31Å; L740-M753 HydrophobicContact CB-SD 3.97Å; L740-L756 VanDerWaalsContact CD1-CA 3.5Å; L740-L756 HydrophobicContact CD1-CB 3.88Å; L740-L756 HydrophobicContact CD1-CD1 3.77Å; L740-L756 HydrophobicContact CD1-CG 4.46Å; L740-M759 HydrophobicContact CD1-CB 4.22Å; L740-M759 HydrophobicContact CD1-CG 4.47Å |
| 741 | F | 90.7 | Very high | 86.6 | Confident | 99 Ų | 99 | 58.8 Ų | 58.8 | 43% | 0.434 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.2 | -48.5 | 174.6 | -174.5 | -95.7 | 0 | 0 | 0 | 112.2 | V737 Q739 A743 S744 W745 W750 M753 | V737-F741 WeakPolarHBondContact O-CB 3.43Å; V737-F741 PolarHBondContact O-N 2.66Å; Q739-F741 VanDerWaalsContact C-N 3.31Å; Q739-F741 PolarHBondContact O-N 3.32Å; F741-A743 VanDerWaalsContact C-N 3.32Å; F741-A743 PolarHBondContact O-N 3.21Å; F741-S744 PolarHBondContact O-N 3.5Å; F741-W745 HydrophobicContact CE1-CE3 4.08Å; F741-W745 HydrophobicContact CE1-CZ3 4.5Å; F741-W745 PolarHBondContact O-N 3.37Å; F741-W750 HydrophobicContact CE2-CH2 4.5Å; F741-M753 VanDerWaalsContact CA-CE 3.48Å; F741-M753 HydrophobicContact CB-CE 4.09Å; F741-M753 HydrophobicContact CD2-CE 4.25Å |
| 742 | V | 87.3 | Confident | 85.8 | Confident | 16 Ų | 16 | 60.1 Ų | 60.1 | 10% | 0.097 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.6 | -37.9 | 175.6 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | L698 Y699 S702 G738 Q739 W745 I746 | L698-V742 HydrophobicContact CB-CG1 3.7Å; Y699-V742 HydrophobicContact CD1-CB 3.84Å; Y699-V742 HydrophobicContact CD1-CG1 3.56Å; Y699-V742 HydrophobicContact CE1-CB 4.13Å; Y699-V742 HydrophobicContact CE1-CG1 3.67Å; S702-V742 WeakPolarHBondContact OG-CG2 3.45Å; G738-V742 PolarHBondContact O-N 2.76Å; Q739-V742 PolarHBondContact O-N 3.44Å; V742-W745 PolarHBondContact O-N 3.22Å; V742-I746 HydrophobicContact CG1-CD1 3.69Å; V742-I746 HydrophobicContact CG1-CG1 4.17Å; V742-I746 WeakPolarHBondContact O-CB 3.43Å; V742-I746 VanDerWaalsContact O-CG1 3.32Å; V742-I746 WeakPolarHBondContact O-CG1 3.39Å; V742-I746 PolarHBondContact O-N 2.84Å |
| 743 | A | 84.2 | Confident | 85.4 | Confident | 16 Ų | 16 | 61.3 Ų | 61.3 | 13% | 0.132 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y699 Q739 L740 F741 W745 I746 A747 V752 | Y699-A743 HydrophobicContact CD1-CB 4.47Å; Y699-A743 HydrophobicContact CE1-CB 3.71Å; Q739-A743 WeakPolarHBondContact O-CB 3.5Å; Q739-A743 PolarHBondContact O-N 3Å; L740-A743 PolarHBondContact O-N 2.99Å; F741-A743 VanDerWaalsContact C-N 3.32Å; F741-A743 PolarHBondContact O-N 3.21Å; A743-W745 VanDerWaalsContact C-N 3.35Å; A743-I746 PolarHBondContact O-N 2.79Å; A743-A747 WeakPolarHBondContact O-CB 3.33Å; A743-A747 PolarHBondContact O-N 2.92Å; A743-V752 HydrophobicContact CB-CG1 3.73Å |
| 744 | S | 81.6 | Confident | 85 | Confident | 8 Ų | 8 | 64.4 Ų | 64.4 | 6% | 0.056 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 172.2 | -85.1 | 0 | 0 | 0 | 0 | 112.7 | L740 F741 Q748 S749 | L740-S744 WeakPolarHBondContact O-CB 3.33Å; L740-S744 PolarHBondContact O-N 3.41Å; F741-S744 PolarHBondContact O-N 3.5Å; S744-Q748 WeakPolarHBondContact O-CA 3.41Å; S744-Q748 PolarHBondContact O-N 2.92Å; S744-S749 VanDerWaalsContact CA-O 3.31Å; S744-S749 WeakPolarHBondContact CA-O 3.38Å; S744-S749 WeakPolarHBondContact CB-O 3.43Å; S744-S749 PolarHBondContact O-N 2.89Å; S744-S749 PolarHBondContact OG-O 3.33Å |
| 745 | W | 79.7 | Confident | 84.5 | Confident | 177 Ų | 177 | 70 Ų | 70 | 67% | 0.67 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.7 | -52.5 | 175.3 | -172.2 | -15.9 | 0 | 0 | 0 | 110.8 | F741 V742 A743 A747 Q748 | F741-W745 HydrophobicContact CE1-CE3 4.08Å; F741-W745 HydrophobicContact CE1-CZ3 4.5Å; F741-W745 PolarHBondContact O-N 3.37Å; V742-W745 PolarHBondContact O-N 3.22Å; A743-W745 VanDerWaalsContact C-N 3.35Å; W745-A747 VanDerWaalsContact C-N 3.32Å; W745-A747 PolarHBondContact O-N 2.78Å; W745-Q748 PolarHBondContact O-N 3.33Å; W745-Q748 PolarHBondContact O-NE2 2.82Å |
| 746 | I | 73.8 | Confident | 84.3 | Confident | 84 Ų | 84 | 69.9 Ų | 69.9 | 43% | 0.431 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | -179.2 | -69.3 | 175.8 | 0 | 0 | 0 | 111 | L698 Y699 V742 A743 Q748 | L698-I746 HydrophobicContact CD1-CD1 4.37Å; Y699-I746 HydrophobicContact CE1-CD1 3.83Å; V742-I746 HydrophobicContact CG1-CD1 3.69Å; V742-I746 HydrophobicContact CG1-CG1 4.17Å; V742-I746 WeakPolarHBondContact O-CB 3.43Å; V742-I746 VanDerWaalsContact O-CG1 3.32Å; V742-I746 WeakPolarHBondContact O-CG1 3.39Å; V742-I746 PolarHBondContact O-N 2.84Å; A743-I746 PolarHBondContact O-N 2.79Å; I746-Q748 PolarHBondContact O-N 3.43Å |
| 747 | A | 74.8 | Confident | 83.9 | Confident | 55 Ų | 55 | 73.3 Ų | 73.3 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -7.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A743 W745 S749 V752 | A743-A747 WeakPolarHBondContact O-CB 3.33Å; A743-A747 PolarHBondContact O-N 2.92Å; W745-A747 VanDerWaalsContact C-N 3.32Å; W745-A747 PolarHBondContact O-N 2.78Å; A747-S749 PolarHBondContact O-N 3.45Å; A747-S749 VanDerWaalsContact O-N 3.1Å; A747-V752 HydrophobicContact CB-CG2 3.93Å |
| 748 | Q | 74.8 | Confident | 83.7 | Confident | 159 Ų | 159 | 76.1 Ų | 76.1 | 74% | 0.743 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 33.1 | -169.6 | -65.5 | -70.6 | -69.9 | 0 | 0 | 112.4 | S744 W745 I746 | S744-Q748 WeakPolarHBondContact O-CA 3.41Å; S744-Q748 PolarHBondContact O-N 2.92Å; W745-Q748 PolarHBondContact O-N 3.33Å; W745-Q748 PolarHBondContact O-NE2 2.82Å; I746-Q748 PolarHBondContact O-N 3.43Å |
| 749 | S | 75 | Confident | 83.6 | Confident | 37 Ų | 37 | 79.1 Ų | 79.1 | 26% | 0.259 | 40% | 0.397 | S | S | . | . | trans | -143.1 | 129.7 | -175.2 | -175.7 | 0 | 0 | 0 | 0 | 112.5 | S744 A747 T751 | S744-S749 VanDerWaalsContact CA-O 3.31Å; S744-S749 WeakPolarHBondContact CA-O 3.38Å; S744-S749 WeakPolarHBondContact CB-O 3.43Å; S744-S749 PolarHBondContact O-N 2.89Å; S744-S749 PolarHBondContact OG-O 3.33Å; A747-S749 PolarHBondContact O-N 3.45Å; A747-S749 VanDerWaalsContact O-N 3.1Å; S749-T751 PolarHBondContact O-N 3.24Å; S749-T751 PolarHBondContact OG-N 3.4Å; S749-T751 VanDerWaalsContact OG-N 3.13Å; S749-T751 PolarHBondContact OG-OG1 3.13Å | ||
| 750 | W | 82.1 | Confident | 83.4 | Confident | 189 Ų | 189 | 77.1 Ų | 77.1 | 72% | 0.716 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -75.2 | -11.3 | 171.8 | -70.5 | 101 | 0 | 0 | 0 | 113.1 | F741 V752 M753 | F741-W750 HydrophobicContact CE2-CH2 4.5Å; W750-V752 PolarHBondContact O-N 2.83Å; W750-V752 VanDerWaalsContact O-N 3.16Å; W750-M753 HydrophobicContact CE3-CG 3.86Å; W750-M753 HydrophobicContact CZ3-CE 4.13Å; W750-M753 HydrophobicContact CZ3-CG 4.24Å; W750-M753 WeakPolarHBondContact O-CB 3.14Å; W750-M753 PolarHBondContact O-N 2.93Å |
| 751 | T | 76.8 | Confident | 83.4 | Confident | 92 Ų | 92 | 81.7 Ų | 81.7 | 56% | 0.564 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -61 | -25.6 | 176.8 | 56.8 | 0 | 0 | 0 | 0 | 112.7 | S749 M753 L754 | S749-T751 PolarHBondContact O-N 3.24Å; S749-T751 PolarHBondContact OG-N 3.4Å; S749-T751 VanDerWaalsContact OG-N 3.13Å; S749-T751 PolarHBondContact OG-OG1 3.13Å; T751-M753 PolarHBondContact O-N 2.98Å; T751-L754 VanDerWaalsContact O-CB 3.23Å; T751-L754 WeakPolarHBondContact O-CB 3.43Å; T751-L754 VanDerWaalsContact O-CG 3.26Å; T751-L754 WeakPolarHBondContact O-CG 3.1Å; T751-L754 PolarHBondContact O-N 3.27Å |
| 752 | V | 78.4 | Confident | 83.4 | Confident | 30 Ų | 30 | 81.4 Ų | 81.4 | 18% | 0.182 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -61.8 | -28.1 | 174.6 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | L740 A743 A747 W750 L754 Y755 | L740-V752 HydrophobicContact CD2-CG1 3.89Å; A743-V752 HydrophobicContact CB-CG1 3.73Å; A747-V752 HydrophobicContact CB-CG2 3.93Å; W750-V752 PolarHBondContact O-N 2.83Å; W750-V752 VanDerWaalsContact O-N 3.16Å; V752-L754 PolarHBondContact O-N 3.44Å; V752-L754 VanDerWaalsContact O-N 3.17Å; V752-Y755 WeakPolarHBondContact O-CD2 3.49Å; V752-Y755 PolarHBondContact O-N 3.37Å |
| 753 | M | 84 | Confident | 83.6 | Confident | 40 Ų | 40 | 80.8 Ų | 80.8 | 20% | 0.197 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -67.7 | -11.6 | 175 | -71.3 | -67.3 | 178.2 | 0 | 0 | 113.5 | L740 F741 W750 T751 Y755 L756 | L740-M753 HydrophobicContact CB-CE 4.31Å; L740-M753 HydrophobicContact CB-SD 3.97Å; F741-M753 VanDerWaalsContact CA-CE 3.48Å; F741-M753 HydrophobicContact CB-CE 4.09Å; F741-M753 HydrophobicContact CD2-CE 4.25Å; W750-M753 HydrophobicContact CE3-CG 3.86Å; W750-M753 HydrophobicContact CZ3-CE 4.13Å; W750-M753 HydrophobicContact CZ3-CG 4.24Å; W750-M753 WeakPolarHBondContact O-CB 3.14Å; W750-M753 PolarHBondContact O-N 2.93Å; T751-M753 PolarHBondContact O-N 2.98Å; M753-Y755 PolarHBondContact O-N 2.92Å; M753-L756 WeakPolarHBondContact O-CB 3.15Å; M753-L756 PolarHBondContact O-N 3.26Å |
| 754 | L | 86.1 | Confident | 84.1 | Confident | 137 Ų | 137 | 83.3 Ų | 83.3 | 72% | 0.717 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -62.9 | -21.7 | 172.1 | -65.5 | 173.2 | 0 | 0 | 0 | 112.4 | T751 V752 L756 P757 | T751-L754 VanDerWaalsContact O-CB 3.23Å; T751-L754 WeakPolarHBondContact O-CB 3.43Å; T751-L754 VanDerWaalsContact O-CG 3.26Å; T751-L754 WeakPolarHBondContact O-CG 3.1Å; T751-L754 PolarHBondContact O-N 3.27Å; V752-L754 PolarHBondContact O-N 3.44Å; V752-L754 VanDerWaalsContact O-N 3.17Å; L754-L756 VanDerWaalsContact C-N 3.26Å; L754-L756 PolarHBondContact O-N 2.86Å; L754-P757 VanDerWaalsContact O-CD 3.3Å; L754-P757 WeakPolarHBondContact O-CD 3.23Å |
| 755 | Y | 86.5 | Confident | 84.6 | Confident | 154 Ų | 154 | 87.5 Ų | 87.5 | 60% | 0.604 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -76 | -13.2 | 172.5 | -68.6 | -77.8 | 0 | 0 | 0 | 113.2 | V752 M753 V758 M759 | V752-Y755 WeakPolarHBondContact O-CD2 3.49Å; V752-Y755 PolarHBondContact O-N 3.37Å; M753-Y755 PolarHBondContact O-N 2.92Å; Y755-V758 PolarHBondContact O-N 3.35Å; Y755-M759 WeakPolarHBondContact O-CB 3.44Å; Y755-M759 WeakPolarHBondContact O-CG 3.47Å; Y755-M759 PolarHBondContact O-N 3.47Å |
| 756 | L | 89.7 | Confident | 85.2 | Confident | 49 Ų | 49 | 81.4 Ų | 81.4 | 26% | 0.257 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -56.4 | -45.8 | -174.8 | -177.1 | 66.3 | 0 | 0 | 0 | 113.1 | V737 L740 M753 L754 V758 M759 S760 | V737-L756 HydrophobicContact CG2-CD1 3.78Å; L740-L756 VanDerWaalsContact CD1-CA 3.5Å; L740-L756 HydrophobicContact CD1-CB 3.88Å; L740-L756 HydrophobicContact CD1-CD1 3.77Å; L740-L756 HydrophobicContact CD1-CG 4.46Å; M753-L756 WeakPolarHBondContact O-CB 3.15Å; M753-L756 PolarHBondContact O-N 3.26Å; L754-L756 VanDerWaalsContact C-N 3.26Å; L754-L756 PolarHBondContact O-N 2.86Å; L756-V758 PolarHBondContact O-N 2.8Å; L756-M759 PolarHBondContact O-N 2.86Å; L756-S760 WeakPolarHBondContact CD1-OG 3.39Å; L756-S760 WeakPolarHBondContact O-CA 3.22Å; L756-S760 WeakPolarHBondContact O-CB 3.36Å; L756-S760 PolarHBondContact O-N 3.03Å; L756-S760 PolarHBondContact O-OG 2.77Å |
| 757 | P | 85.6 | Confident | 86.1 | Confident | 92 Ų | 92 | 77.4 Ų | 77.4 | 60% | 0.597 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.9 | -44.7 | -179.7 | -23.8 | 35.5 | 0 | 0 | 0 | 112.9 | L754 S760 L761 | L754-P757 VanDerWaalsContact O-CD 3.3Å; L754-P757 WeakPolarHBondContact O-CD 3.23Å; P757-S760 PolarHBondContact O-N 2.96Å; P757-L761 PolarHBondContact O-N 2.97Å; P757-L761 VanDerWaalsContact O-N 3.12Å |
| 758 | V | 90 | Very high | 86.9 | Confident | 92 Ų | 92 | 77.7 Ų | 77.7 | 56% | 0.558 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -68.7 | -47.3 | -179.3 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | Y755 L756 S760 L761 L762 | Y755-V758 PolarHBondContact O-N 3.35Å; L756-V758 PolarHBondContact O-N 2.8Å; V758-S760 VanDerWaalsContact C-N 3.31Å; V758-S760 PolarHBondContact O-N 3.14Å; V758-L761 PolarHBondContact O-N 3.23Å; V758-L762 HydrophobicContact CG1-CD1 4.41Å; V758-L762 PolarHBondContact O-N 3.11Å; V758-L762 VanDerWaalsContact O-N 3.16Å |
| 759 | M | 90.5 | Very high | 87.8 | Confident | 64 Ų | 64 | 75 Ų | 75 | 32% | 0.315 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67 | -33.7 | 178.3 | -70 | -60.2 | -67.6 | 0 | 0 | 111.8 | N736 L740 Y755 L756 L762 G763 | N736-M759 HydrophobicContact CB-CB 4.22Å; N736-M759 PolarHBondContact ND2-O 3.15Å; L740-M759 HydrophobicContact CD1-CB 4.22Å; L740-M759 HydrophobicContact CD1-CG 4.47Å; Y755-M759 WeakPolarHBondContact O-CB 3.44Å; Y755-M759 WeakPolarHBondContact O-CG 3.47Å; Y755-M759 PolarHBondContact O-N 3.47Å; L756-M759 PolarHBondContact O-N 2.86Å; M759-L762 PolarHBondContact O-N 3.41Å; M759-G763 PolarHBondContact O-N 3.28Å |
| 760 | S | 88.8 | Confident | 88.6 | Confident | 13 Ų | 13 | 78.5 Ų | 78.5 | 9% | 0.091 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 176 | -64.4 | 0 | 0 | 0 | 0 | 111.4 | F733 L756 P757 V758 L762 G763 I764 | F733-S760 WeakPolarHBondContact CD2-OG 3.26Å; F733-S760 VanDerWaalsContact CE2-OG 3.24Å; F733-S760 WeakPolarHBondContact CE2-OG 3.48Å; L756-S760 WeakPolarHBondContact CD1-OG 3.39Å; L756-S760 WeakPolarHBondContact O-CA 3.22Å; L756-S760 WeakPolarHBondContact O-CB 3.36Å; L756-S760 PolarHBondContact O-N 3.03Å; L756-S760 PolarHBondContact O-OG 2.77Å; P757-S760 PolarHBondContact O-N 2.96Å; V758-S760 VanDerWaalsContact C-N 3.31Å; V758-S760 PolarHBondContact O-N 3.14Å; S760-L762 PolarHBondContact O-N 3.36Å; S760-G763 PolarHBondContact O-N 3.49Å; S760-I764 WeakPolarHBondContact O-CB 3.35Å; S760-I764 WeakPolarHBondContact O-CD1 3.42Å; S760-I764 VanDerWaalsContact O-CG1 3.22Å; S760-I764 WeakPolarHBondContact O-CG1 3.39Å; S760-I764 PolarHBondContact O-N 3.26Å |
| 761 | L | 90.6 | Very high | 89.1 | Confident | 112 Ų | 112 | 69.6 Ų | 69.6 | 59% | 0.586 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -57.4 | -50.4 | 175.3 | -172.5 | 95.6 | 0 | 0 | 0 | 111.1 | P757 V758 G763 I764 L765 | P757-L761 PolarHBondContact O-N 2.97Å; P757-L761 VanDerWaalsContact O-N 3.12Å; V758-L761 PolarHBondContact O-N 3.23Å; L761-G763 PolarHBondContact O-N 2.98Å; L761-I764 PolarHBondContact O-N 3Å; L761-L765 HydrophobicContact CG-CD1 4.5Å; L761-L765 WeakPolarHBondContact O-CG 3.43Å; L761-L765 PolarHBondContact O-N 2.76Å |
| 762 | L | 91.6 | Very high | 89.7 | Confident | 93 Ų | 93 | 69.6 Ų | 69.6 | 49% | 0.487 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 178.9 | -69.5 | 172.6 | 0 | 0 | 0 | 112.3 | V758 M759 S760 L765 A766 | V758-L762 HydrophobicContact CG1-CD1 4.41Å; V758-L762 PolarHBondContact O-N 3.11Å; V758-L762 VanDerWaalsContact O-N 3.16Å; M759-L762 PolarHBondContact O-N 3.41Å; S760-L762 PolarHBondContact O-N 3.36Å; L762-L765 PolarHBondContact O-N 3.15Å; L762-A766 WeakPolarHBondContact O-CB 3.33Å; L762-A766 PolarHBondContact O-N 3.25Å |
| 763 | G | 91.4 | Very high | 90.2 | Very high | 3 Ų | 3 | 70.4 Ų | 70.4 | 3% | 0.031 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G732 N736 M759 S760 L761 G767 | G732-G763 CarbonylContact C-O 3.57Å; G732-G763 WeakPolarHBondContact CA-O 3.26Å; N736-G763 VanDerWaalsContact ND2-CA 3.31Å; N736-G763 WeakPolarHBondContact ND2-CA 3.25Å; M759-G763 PolarHBondContact O-N 3.28Å; S760-G763 PolarHBondContact O-N 3.49Å; L761-G763 PolarHBondContact O-N 2.98Å; G763-G767 PolarHBondContact O-N 2.85Å |
| 764 | I | 93.4 | Very high | 90.3 | Very high | 69 Ų | 69 | 69.8 Ų | 69.8 | 35% | 0.354 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.2 | -46.8 | 174.9 | -69.4 | 165.2 | 0 | 0 | 0 | 110.3 | F733 S760 L761 A766 G767 I768 | F733-I764 HydrophobicContact CB-CG1 4.03Å; S760-I764 WeakPolarHBondContact O-CB 3.35Å; S760-I764 WeakPolarHBondContact O-CD1 3.42Å; S760-I764 VanDerWaalsContact O-CG1 3.22Å; S760-I764 WeakPolarHBondContact O-CG1 3.39Å; S760-I764 PolarHBondContact O-N 3.26Å; L761-I764 PolarHBondContact O-N 3Å; I764-A766 PolarHBondContact O-N 3.24Å; I764-G767 PolarHBondContact O-N 3.33Å; I764-I768 HydrophobicContact CG2-CD1 3.88Å; I764-I768 HydrophobicContact CG2-CG1 4.46Å; I764-I768 VanDerWaalsContact O-CG1 3.29Å; I764-I768 WeakPolarHBondContact O-CG1 3.29Å; I764-I768 PolarHBondContact O-N 3.34Å |
| 765 | L | 93.4 | Very high | 90.3 | Very high | 97 Ų | 97 | 66.7 Ų | 66.7 | 51% | 0.508 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60 | -47.1 | 177.5 | -71.6 | 172.1 | 0 | 0 | 0 | 111.7 | L761 L762 G767 I768 V769 | L761-L765 HydrophobicContact CG-CD1 4.5Å; L761-L765 WeakPolarHBondContact O-CG 3.43Å; L761-L765 PolarHBondContact O-N 2.76Å; L762-L765 PolarHBondContact O-N 3.15Å; L765-G767 VanDerWaalsContact C-N 3.35Å; L765-G767 PolarHBondContact O-N 3.01Å; L765-I768 PolarHBondContact O-N 2.89Å; L765-V769 WeakPolarHBondContact O-CG2 3.28Å; L765-V769 PolarHBondContact O-N 3.38Å |
| 766 | A | 92 | Very high | 90.3 | Very high | 49 Ų | 49 | 66 Ų | 66 | 41% | 0.405 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L762 I764 I768 V769 I770 | L762-A766 WeakPolarHBondContact O-CB 3.33Å; L762-A766 PolarHBondContact O-N 3.25Å; I764-A766 PolarHBondContact O-N 3.24Å; A766-I768 VanDerWaalsContact C-N 3.34Å; A766-I768 PolarHBondContact O-N 2.95Å; A766-V769 PolarHBondContact O-N 3.4Å; A766-I770 WeakPolarHBondContact O-CB 3.34Å; A766-I770 VanDerWaalsContact O-CG1 3.25Å; A766-I770 WeakPolarHBondContact O-CG1 3.21Å; A766-I770 PolarHBondContact O-N 3.48Å |
| 767 | G | 92.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.3 | -37.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S728 G763 I764 L765 G771 | S728-G767 WeakPolarHBondContact CB-O 3.43Å; S728-G767 WeakPolarHBondContact O-CA 3.37Å; S728-G767 PolarHBondContact OG-O 3.32Å; G763-G767 PolarHBondContact O-N 2.85Å; I764-G767 PolarHBondContact O-N 3.33Å; L765-G767 VanDerWaalsContact C-N 3.35Å; L765-G767 PolarHBondContact O-N 3.01Å; G767-G771 PolarHBondContact O-N 3.21Å |
| 768 | I | 92.6 | Very high | 90 | Very high | 61 Ų | 61 | 65.6 Ų | 65.6 | 31% | 0.313 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.8 | -48.1 | 173.9 | -69.6 | 165.6 | 0 | 0 | 0 | 110.5 | I725 A729 I764 L765 A766 I770 G771 I772 | I725-I768 HydrophobicContact CG2-CB 4.39Å; I725-I768 HydrophobicContact CG2-CG1 4.36Å; I725-I768 HydrophobicContact CG2-CG2 4.08Å; A729-I768 HydrophobicContact CB-CG1 3.97Å; I764-I768 HydrophobicContact CG2-CD1 3.88Å; I764-I768 HydrophobicContact CG2-CG1 4.46Å; I764-I768 VanDerWaalsContact O-CG1 3.29Å; I764-I768 WeakPolarHBondContact O-CG1 3.29Å; I764-I768 PolarHBondContact O-N 3.34Å; L765-I768 PolarHBondContact O-N 2.89Å; A766-I768 VanDerWaalsContact C-N 3.34Å; A766-I768 PolarHBondContact O-N 2.95Å; I768-I770 PolarHBondContact O-N 2.86Å; I768-G771 PolarHBondContact O-N 3.21Å; I768-G771 VanDerWaalsContact O-N 3.16Å; I768-I772 HydrophobicContact CG2-CD1 3.88Å; I768-I772 HydrophobicContact CG2-CG1 4.48Å; I768-I772 WeakPolarHBondContact O-CG1 3.27Å; I768-I772 PolarHBondContact O-N 3.44Å |
| 769 | V | 93.3 | Very high | 89.5 | Confident | 101 Ų | 101 | 64.7 Ų | 64.7 | 61% | 0.612 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.6 | -47.4 | 179.3 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | L765 A766 G771 I772 A773 | L765-V769 WeakPolarHBondContact O-CG2 3.28Å; L765-V769 PolarHBondContact O-N 3.38Å; A766-V769 PolarHBondContact O-N 3.4Å; V769-G771 VanDerWaalsContact C-N 3.28Å; V769-G771 PolarHBondContact O-N 3.38Å; V769-I772 PolarHBondContact O-N 3.29Å; V769-A773 PolarHBondContact O-N 2.86Å |
| 770 | I | 92.2 | Very high | 89.2 | Confident | 111 Ų | 111 | 66.8 Ų | 66.8 | 57% | 0.569 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.2 | -38.9 | 176.1 | -66.6 | 165.3 | 0 | 0 | 0 | 110.7 | A766 I768 A773 G774 | A766-I770 WeakPolarHBondContact O-CB 3.34Å; A766-I770 VanDerWaalsContact O-CG1 3.25Å; A766-I770 WeakPolarHBondContact O-CG1 3.21Å; A766-I770 PolarHBondContact O-N 3.48Å; I768-I770 PolarHBondContact O-N 2.86Å; I770-A773 PolarHBondContact O-N 2.81Å; I770-G774 PolarHBondContact O-N 3.38Å |
| 771 | G | 91.2 | Very high | 89.1 | Confident | 2 Ų | 2 | 68.9 Ų | 68.9 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S728 G767 I768 V769 G774 N775 | S728-G771 PolarHBondContact OG-N 3.24Å; G767-G771 PolarHBondContact O-N 3.21Å; I768-G771 PolarHBondContact O-N 3.21Å; I768-G771 VanDerWaalsContact O-N 3.16Å; V769-G771 VanDerWaalsContact C-N 3.28Å; V769-G771 PolarHBondContact O-N 3.38Å; G771-G774 PolarHBondContact O-N 2.96Å; G771-N775 VanDerWaalsContact O-CB 3.32Å; G771-N775 WeakPolarHBondContact O-CB 3.41Å; G771-N775 PolarHBondContact O-N 3.22Å |
| 772 | I | 90.3 | Very high | 88.6 | Confident | 92 Ų | 92 | 73.8 Ų | 73.8 | 47% | 0.472 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 174.4 | -68.3 | 166 | 0 | 0 | 0 | 109.9 | I725 I768 V769 N775 Y776 | I725-I772 HydrophobicContact CD1-CG1 3.87Å; I725-I772 HydrophobicContact CG1-CG1 4.33Å; I768-I772 HydrophobicContact CG2-CD1 3.88Å; I768-I772 HydrophobicContact CG2-CG1 4.48Å; I768-I772 WeakPolarHBondContact O-CG1 3.27Å; I768-I772 PolarHBondContact O-N 3.44Å; V769-I772 PolarHBondContact O-N 3.29Å; I772-N775 PolarHBondContact O-N 2.88Å; I772-Y776 WeakPolarHBondContact O-CB 3.35Å; I772-Y776 PolarHBondContact O-N 2.78Å |
| 773 | A | 88.6 | Confident | 88.1 | Confident | 48 Ų | 48 | 72.2 Ų | 72.2 | 40% | 0.397 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V769 I770 N775 Y776 L777 | V769-A773 PolarHBondContact O-N 2.86Å; I770-A773 PolarHBondContact O-N 2.81Å; A773-N775 PolarHBondContact O-N 3Å; A773-Y776 WeakPolarHBondContact O-CB 3.18Å; A773-Y776 PolarHBondContact O-N 2.84Å; A773-L777 WeakPolarHBondContact O-CB 3.4Å; A773-L777 VanDerWaalsContact O-CG 3.29Å; A773-L777 WeakPolarHBondContact O-CG 3.44Å; A773-L777 PolarHBondContact O-N 3.46Å |
| 774 | G | 86.3 | Confident | 87.5 | Confident | 27 Ų | 27 | 75.2 Ų | 75.2 | 28% | 0.278 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I770 G771 L777 L778 | I770-G774 PolarHBondContact O-N 3.38Å; G771-G774 PolarHBondContact O-N 2.96Å; G774-L777 PolarHBondContact O-N 2.91Å; G774-L778 WeakPolarHBondContact O-CG 3.13Å; G774-L778 PolarHBondContact O-N 2.99Å |
| 775 | N | 86 | Confident | 86.8 | Confident | 71 Ų | 71 | 75.9 Ų | 75.9 | 38% | 0.38 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 174.8 | -170 | 59.4 | 0 | 0 | 0 | 111.8 | G771 I772 A773 L778 V779 | G771-N775 VanDerWaalsContact O-CB 3.32Å; G771-N775 WeakPolarHBondContact O-CB 3.41Å; G771-N775 PolarHBondContact O-N 3.22Å; I772-N775 PolarHBondContact O-N 2.88Å; A773-N775 PolarHBondContact O-N 3Å; N775-L778 PolarHBondContact O-N 3.42Å; N775-V779 WeakPolarHBondContact O-CG2 3.25Å; N775-V779 PolarHBondContact O-N 2.83Å |
| 776 | Y | 86.3 | Confident | 86.2 | Confident | 139 Ų | 139 | 77.9 Ų | 77.9 | 55% | 0.545 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 175.2 | -178.2 | -92.2 | 0 | 0 | 0 | 111.8 | I772 A773 V779 H780 | I772-Y776 WeakPolarHBondContact O-CB 3.35Å; I772-Y776 PolarHBondContact O-N 2.78Å; A773-Y776 WeakPolarHBondContact O-CB 3.18Å; A773-Y776 PolarHBondContact O-N 2.84Å; Y776-V779 PolarHBondContact O-N 3.08Å; Y776-H780 AromaticContact CD1-ND1 3.99Å; Y776-H780 AromaticContact CD2-CE1 3.45Å; Y776-H780 VanDerWaalsContact CD2-CE1 3.45Å; Y776-H780 WeakPolarHBondContact CD2-CE1 3.17Å; Y776-H780 AromaticContact CD2-ND1 3.48Å; Y776-H780 WeakPolarHBondContact CD2-ND1 3.31Å; Y776-H780 HydrophobicContact CE1-CB 4.17Å; Y776-H780 AromaticContact CE1-CG 3.98Å; Y776-H780 AromaticContact CE1-ND1 3.93Å; Y776-H780 AromaticContact CE2-CE1 3.22Å; Y776-H780 WeakPolarHBondContact CE2-CE1 3.44Å; Y776-H780 AromaticContact CE2-CG 3.95Å; Y776-H780 AromaticContact CE2-ND1 3.42Å; Y776-H780 WeakPolarHBondContact CE2-ND1 3.37Å; Y776-H780 AromaticContact CE2-NE2 3.63Å; Y776-H780 AromaticContact CG-ND1 3.77Å; Y776-H780 AromaticContact CZ-CD2 3.92Å; Y776-H780 AromaticContact CZ-CE1 3.8Å; Y776-H780 AromaticContact CZ-CG 3.72Å; Y776-H780 AromaticContact CZ-ND1 3.64Å; Y776-H780 AromaticContact CZ-NE2 3.97Å; Y776-H780 PolarHBondContact O-N 3.08Å; Y776-H780 PolarHBondContact O-ND1 3.4Å |
| 777 | L | 86.2 | Confident | 85.6 | Confident | 86 Ų | 86 | 82.4 Ų | 82.4 | 45% | 0.45 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 179.2 | -71.8 | 171.5 | 0 | 0 | 0 | 112.4 | A773 G774 V779 H780 V781 L784 | A773-L777 WeakPolarHBondContact O-CB 3.4Å; A773-L777 VanDerWaalsContact O-CG 3.29Å; A773-L777 WeakPolarHBondContact O-CG 3.44Å; A773-L777 PolarHBondContact O-N 3.46Å; G774-L777 PolarHBondContact O-N 2.91Å; L777-V779 PolarHBondContact O-N 2.99Å; L777-H780 PolarHBondContact O-N 3.4Å; L777-V781 HydrophobicContact CB-CG2 4.34Å; L777-V781 HydrophobicContact CD2-CG2 3.87Å; L777-V781 VanDerWaalsContact O-CB 3.25Å; L777-V781 WeakPolarHBondContact O-CB 3.24Å; L777-V781 WeakPolarHBondContact O-CG2 3.48Å; L777-V781 PolarHBondContact O-N 3.02Å; L777-L784 HydrophobicContact CB-CD1 4.19Å |
| 778 | L | 81.9 | Confident | 84.7 | Confident | 47 Ų | 47 | 86 Ų | 86 | 25% | 0.246 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -58.4 | -35.6 | 175.5 | -74.4 | 169.5 | 0 | 0 | 0 | 112 | I724 G774 N775 L784 Q785 | I724-L778 HydrophobicContact CD1-CD1 3.77Å; G774-L778 WeakPolarHBondContact O-CG 3.13Å; G774-L778 PolarHBondContact O-N 2.99Å; N775-L778 PolarHBondContact O-N 3.42Å; L778-L784 HydrophobicContact CD2-CB 4.16Å; L778-L784 HydrophobicContact CD2-CD1 4.37Å; L778-Q785 VanDerWaalsContact O-CG 3.25Å; L778-Q785 WeakPolarHBondContact O-CG 3.03Å |
| 779 | V | 80 | Confident | 84 | Confident | 73 Ų | 73 | 88.4 Ų | 88.4 | 44% | 0.442 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -80.9 | -33.6 | 179.3 | 176.3 | 0 | 0 | 0 | 0 | 112.7 | N775 Y776 L777 Q785 | N775-V779 WeakPolarHBondContact O-CG2 3.25Å; N775-V779 PolarHBondContact O-N 2.83Å; Y776-V779 PolarHBondContact O-N 3.08Å; L777-V779 PolarHBondContact O-N 2.99Å; V779-Q785 PolarHBondContact O-NE2 3.34Å |
| 780 | H | 84.7 | Confident | 83.4 | Confident | 109 Ų | 109 | 87.1 Ų | 87.1 | 51% | 0.505 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -105 | -13.7 | -169.6 | -64.2 | 81.1 | 0 | 0 | 0 | 114.5 | Y776 L777 | Y776-H780 AromaticContact CD1-ND1 3.99Å; Y776-H780 AromaticContact CD2-CE1 3.45Å; Y776-H780 VanDerWaalsContact CD2-CE1 3.45Å; Y776-H780 WeakPolarHBondContact CD2-CE1 3.17Å; Y776-H780 AromaticContact CD2-ND1 3.48Å; Y776-H780 WeakPolarHBondContact CD2-ND1 3.31Å; Y776-H780 HydrophobicContact CE1-CB 4.17Å; Y776-H780 AromaticContact CE1-CG 3.98Å; Y776-H780 AromaticContact CE1-ND1 3.93Å; Y776-H780 AromaticContact CE2-CE1 3.22Å; Y776-H780 WeakPolarHBondContact CE2-CE1 3.44Å; Y776-H780 AromaticContact CE2-CG 3.95Å; Y776-H780 AromaticContact CE2-ND1 3.42Å; Y776-H780 WeakPolarHBondContact CE2-ND1 3.37Å; Y776-H780 AromaticContact CE2-NE2 3.63Å; Y776-H780 AromaticContact CG-ND1 3.77Å; Y776-H780 AromaticContact CZ-CD2 3.92Å; Y776-H780 AromaticContact CZ-CE1 3.8Å; Y776-H780 AromaticContact CZ-CG 3.72Å; Y776-H780 AromaticContact CZ-ND1 3.64Å; Y776-H780 AromaticContact CZ-NE2 3.97Å; Y776-H780 PolarHBondContact O-N 3.08Å; Y776-H780 PolarHBondContact O-ND1 3.4Å; L777-H780 PolarHBondContact O-N 3.4Å |
| 781 | V | 86.4 | Confident | 82.6 | Confident | 56 Ų | 56 | 88.2 Ų | 88.2 | 34% | 0.339 | 44% | 0.439 | S | S | . | . | trans | -97.4 | 110.5 | 179 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | L777 A783 L784 Q785 | L777-V781 HydrophobicContact CB-CG2 4.34Å; L777-V781 HydrophobicContact CD2-CG2 3.87Å; L777-V781 VanDerWaalsContact O-CB 3.25Å; L777-V781 WeakPolarHBondContact O-CB 3.24Å; L777-V781 WeakPolarHBondContact O-CG2 3.48Å; L777-V781 PolarHBondContact O-N 3.02Å; V781-A783 HydrophobicContact CG1-CB 4.3Å; V781-A783 PolarHBondContact O-N 3.19Å; V781-A783 VanDerWaalsContact O-N 3.12Å; V781-L784 HydrophobicContact CB-CB 4.23Å; V781-L784 HydrophobicContact CB-CD1 4.02Å; V781-L784 HydrophobicContact CB-CG 4.15Å; V781-L784 HydrophobicContact CG1-CB 4.43Å; V781-L784 HydrophobicContact CG1-CD1 4.31Å; V781-L784 HydrophobicContact CG1-CG 4.08Å; V781-L784 HydrophobicContact CG2-CD1 4.43Å; V781-L784 PolarHBondContact O-N 3.42Å; V781-Q785 PolarHBondContact O-N 2.75Å | ||
| 782 | R | 79.8 | Confident | 81.8 | Confident | 216 Ų | 216 | 92.2 Ų | 92.2 | 82% | 0.815 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -51.7 | -38.3 | -177.7 | -70.9 | -174.9 | -171.5 | 170.2 | 3 | 114 | Q785 K786 | R782-Q785 PolarHBondContact O-N 3.38Å; R782-K786 PolarHBondContact O-N 3.31Å |
| 783 | A | 81.1 | Confident | 81.1 | Confident | 60 Ų | 60 | 90.5 Ų | 90.5 | 50% | 0.496 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V781 K786 F787 | V781-A783 HydrophobicContact CG1-CB 4.3Å; V781-A783 PolarHBondContact O-N 3.19Å; V781-A783 VanDerWaalsContact O-N 3.12Å; A783-K786 PolarHBondContact O-N 3.34Å; A783-F787 WeakPolarHBondContact O-CD2 3.44Å; A783-F787 PolarHBondContact O-N 2.77Å; A783-F787 VanDerWaalsContact O-N 3.16Å |
| 784 | L | 80.2 | Confident | 80.3 | Confident | 66 Ų | 66 | 95.2 Ų | 95.2 | 35% | 0.346 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -70.2 | -40 | 178.5 | -68.2 | 179.4 | 0 | 0 | 0 | 112 | L777 L778 V781 K786 F787 Q788 | L777-L784 HydrophobicContact CB-CD1 4.19Å; L778-L784 HydrophobicContact CD2-CB 4.16Å; L778-L784 HydrophobicContact CD2-CD1 4.37Å; V781-L784 HydrophobicContact CB-CB 4.23Å; V781-L784 HydrophobicContact CB-CD1 4.02Å; V781-L784 HydrophobicContact CB-CG 4.15Å; V781-L784 HydrophobicContact CG1-CB 4.43Å; V781-L784 HydrophobicContact CG1-CD1 4.31Å; V781-L784 HydrophobicContact CG1-CG 4.08Å; V781-L784 HydrophobicContact CG2-CD1 4.43Å; V781-L784 PolarHBondContact O-N 3.42Å; L784-K786 VanDerWaalsContact C-N 3.31Å; L784-K786 PolarHBondContact O-N 2.9Å; L784-F787 PolarHBondContact O-N 3Å; L784-Q788 PolarHBondContact O-N 3.25Å |
| 785 | Q | 77.3 | Confident | 79.4 | Confident | 83 Ų | 83 | 98.3 Ų | 98.3 | 39% | 0.388 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.5 | -44.5 | 172.7 | -75.1 | -173.9 | -35.6 | 0 | 0 | 111.7 | L778 V779 V781 R782 F787 Q788 L789 | L778-Q785 VanDerWaalsContact O-CG 3.25Å; L778-Q785 WeakPolarHBondContact O-CG 3.03Å; V779-Q785 PolarHBondContact O-NE2 3.34Å; V781-Q785 PolarHBondContact O-N 2.75Å; R782-Q785 PolarHBondContact O-N 3.38Å; Q785-F787 PolarHBondContact O-N 3.27Å; Q785-Q788 PolarHBondContact O-N 3.07Å; Q785-L789 WeakPolarHBondContact O-CG 3.21Å; Q785-L789 PolarHBondContact O-N 3.34Å |
| 786 | K | 81.5 | Confident | 78.2 | Confident | 138 Ų | 138 | 99.6 Ų | 99.6 | 60% | 0.6 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.2 | -47.2 | 177 | -172.2 | 179 | 178.3 | -178 | 0 | 111.2 | R782 A783 L784 Q788 L789 D790 | R782-K786 PolarHBondContact O-N 3.31Å; A783-K786 PolarHBondContact O-N 3.34Å; L784-K786 VanDerWaalsContact C-N 3.31Å; L784-K786 PolarHBondContact O-N 2.9Å; K786-Q788 VanDerWaalsContact C-N 3.32Å; K786-Q788 PolarHBondContact O-N 2.81Å; K786-L789 PolarHBondContact O-N 2.58Å; K786-D790 WeakPolarHBondContact O-CB 3.38Å; K786-D790 VanDerWaalsContact O-CG 3.28Å; K786-D790 PolarHBondContact O-N 2.8Å |
| 787 | F | 79 | Confident | 76.9 | Confident | 145 Ų | 145 | 99.1 Ų | 99.1 | 64% | 0.636 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.5 | -37.9 | 175.8 | -74.9 | -60.2 | 0 | 0 | 0 | 113.2 | A783 L784 Q785 Y791 | A783-F787 WeakPolarHBondContact O-CD2 3.44Å; A783-F787 PolarHBondContact O-N 2.77Å; A783-F787 VanDerWaalsContact O-N 3.16Å; L784-F787 PolarHBondContact O-N 3Å; Q785-F787 PolarHBondContact O-N 3.27Å; F787-Y791 WeakPolarHBondContact O-CB 3.28Å; F787-Y791 PolarHBondContact O-N 3.01Å |
| 788 | Q | 74.3 | Confident | 75.3 | Confident | 76 Ų | 76 | 103.4 Ų | 103.4 | 36% | 0.355 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 177.5 | -175.3 | 175.2 | -18 | 0 | 0 | 111.6 | L784 Q785 K786 Y791 E792 | L784-Q788 PolarHBondContact O-N 3.25Å; Q785-Q788 PolarHBondContact O-N 3.07Å; K786-Q788 VanDerWaalsContact C-N 3.32Å; K786-Q788 PolarHBondContact O-N 2.81Å; Q788-Y791 PolarHBondContact O-N 3.26Å; Q788-E792 PolarHBondContact NE2-OE1 3.48Å; Q788-E792 WeakPolarHBondContact O-CB 3.44Å; Q788-E792 WeakPolarHBondContact O-CG 3.47Å; Q788-E792 PolarHBondContact O-N 2.89Å |
| 789 | L | 78 | Confident | 73.6 | Confident | 110 Ų | 110 | 109.2 Ų | 109.2 | 58% | 0.576 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.2 | -42.2 | 175.7 | -70.8 | 167.9 | 0 | 0 | 0 | 111.7 | Q785 K786 Y791 E792 S793 | Q785-L789 WeakPolarHBondContact O-CG 3.21Å; Q785-L789 PolarHBondContact O-N 3.34Å; K786-L789 PolarHBondContact O-N 2.58Å; L789-Y791 VanDerWaalsContact C-N 3.28Å; L789-Y791 PolarHBondContact O-N 3.49Å; L789-E792 PolarHBondContact O-N 2.84Å; L789-S793 WeakPolarHBondContact O-CB 3.39Å; L789-S793 PolarHBondContact O-N 3.27Å; L789-S793 PolarHBondContact O-OG 2.51Å |
| 790 | D | 80.2 | Confident | 71.7 | Confident | 75 Ų | 75 | 115.1 Ų | 115.1 | 40% | 0.401 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.3 | -35.1 | 175.1 | -72.5 | -12.7 | 0 | 0 | 0 | 111.7 | K786 S793 K794 | K786-D790 WeakPolarHBondContact O-CB 3.38Å; K786-D790 VanDerWaalsContact O-CG 3.28Å; K786-D790 PolarHBondContact O-N 2.8Å; D790-S793 WeakPolarHBondContact CA-OG 3.26Å; D790-S793 PolarHBondContact O-OG 3.01Å; D790-K794 WeakPolarHBondContact O-CB 3.45Å; D790-K794 VanDerWaalsContact O-CG 3.29Å; D790-K794 WeakPolarHBondContact O-CG 3.4Å; D790-K794 PolarHBondContact O-N 3.08Å |
| 791 | Y | 74.9 | Confident | 71.1 | Confident | 134 Ų | 134 | 115.4 Ų | 115.4 | 53% | 0.525 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -72.7 | -43.6 | 175.1 | 177.5 | -97.4 | 0 | 0 | 0 | 112.5 | F787 Q788 L789 K794 K795 | F787-Y791 WeakPolarHBondContact O-CB 3.28Å; F787-Y791 PolarHBondContact O-N 3.01Å; Q788-Y791 PolarHBondContact O-N 3.26Å; L789-Y791 VanDerWaalsContact C-N 3.28Å; L789-Y791 PolarHBondContact O-N 3.49Å; Y791-K794 PolarHBondContact O-N 3.07Å; Y791-K795 HydrophobicContact CE1-CD 4.33Å; Y791-K795 WeakPolarHBondContact O-CB 3.46Å; Y791-K795 PolarHBondContact O-N 2.84Å |
| 792 | E | 74.4 | Confident | 70.3 | Confident | 86 Ų | 86 | 118.5 Ų | 118.5 | 40% | 0.402 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.9 | -40.2 | 179 | -74.9 | 177.8 | -169.4 | 0 | 0 | 111.9 | Q788 L789 K795 N796 | Q788-E792 PolarHBondContact NE2-OE1 3.48Å; Q788-E792 WeakPolarHBondContact O-CB 3.44Å; Q788-E792 WeakPolarHBondContact O-CG 3.47Å; Q788-E792 PolarHBondContact O-N 2.89Å; L789-E792 PolarHBondContact O-N 2.84Å; E792-K795 PolarHBondContact O-N 2.93Å; E792-N796 PolarHBondContact O-N 2.91Å; E792-N796 PolarHBondContact O-ND2 2.95Å |
| 793 | S | 76.4 | Confident | 69.8 | Low | 55 Ų | 55 | 113.1 Ų | 113.1 | 39% | 0.385 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.1 | -46.9 | 173.5 | 58 | 0 | 0 | 0 | 0 | 111.9 | L789 D790 K795 N796 L797 | L789-S793 WeakPolarHBondContact O-CB 3.39Å; L789-S793 PolarHBondContact O-N 3.27Å; L789-S793 PolarHBondContact O-OG 2.51Å; D790-S793 WeakPolarHBondContact CA-OG 3.26Å; D790-S793 PolarHBondContact O-OG 3.01Å; S793-K795 VanDerWaalsContact C-N 3.29Å; S793-K795 PolarHBondContact O-N 3.02Å; S793-N796 PolarHBondContact O-N 2.75Å; S793-L797 WeakPolarHBondContact O-CG 3.47Å; S793-L797 PolarHBondContact O-N 3.36Å |
| 794 | K | 72.3 | Confident | 69.1 | Low | 148 Ų | 148 | 116.2 Ų | 116.2 | 64% | 0.643 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.6 | -32.5 | 174.3 | -75.7 | -179.2 | -178.7 | -173.3 | 0 | 113.6 | D790 Y791 K798 | D790-K794 WeakPolarHBondContact O-CB 3.45Å; D790-K794 VanDerWaalsContact O-CG 3.29Å; D790-K794 WeakPolarHBondContact O-CG 3.4Å; D790-K794 PolarHBondContact O-N 3.08Å; Y791-K794 PolarHBondContact O-N 3.07Å; K794-K798 PolarHBondContact O-N 3.42Å |
| 795 | K | 65.6 | Low | 68.4 | Low | 92 Ų | 92 | 119.4 Ų | 119.4 | 40% | 0.4 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -74.7 | -37 | 178.3 | -171 | -179.6 | 178.9 | -175 | 0 | 112.1 | Y791 E792 S793 K798 K799 | Y791-K795 HydrophobicContact CE1-CD 4.33Å; Y791-K795 WeakPolarHBondContact O-CB 3.46Å; Y791-K795 PolarHBondContact O-N 2.84Å; E792-K795 PolarHBondContact O-N 2.93Å; S793-K795 VanDerWaalsContact C-N 3.29Å; S793-K795 PolarHBondContact O-N 3.02Å; K795-K798 PolarHBondContact O-N 3.44Å; K795-K799 PolarHBondContact O-N 2.82Å |
| 796 | N | 62.1 | Low | 67.8 | Low | 97 Ų | 97 | 121.8 Ų | 121.8 | 52% | 0.519 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.9 | -38.3 | 175.5 | -69.5 | -18.7 | 0 | 0 | 0 | 111.1 | E792 S793 K798 K799 D800 | E792-N796 PolarHBondContact O-N 2.91Å; E792-N796 PolarHBondContact O-ND2 2.95Å; S793-N796 PolarHBondContact O-N 2.75Å; N796-K798 PolarHBondContact O-N 3.45Å; N796-K798 VanDerWaalsContact O-N 3.13Å; N796-K799 PolarHBondContact O-N 2.92Å; N796-D800 PolarHBondContact O-N 2.96Å |
| 797 | L | 59.3 | Low | 66.8 | Low | 130 Ų | 130 | 120.6 Ų | 120.6 | 68% | 0.681 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -14 | 171.5 | -74.8 | 164.7 | 0 | 0 | 0 | 115.2 | S793 | S793-L797 WeakPolarHBondContact O-CG 3.47Å; S793-L797 PolarHBondContact O-N 3.36Å |
| 798 | K | 51.6 | Low | 65.9 | Low | 175 Ų | 175 | 118.8 Ų | 118.8 | 76% | 0.761 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -6.1 | 173.9 | -81.2 | -171.5 | 174 | -173.7 | 0 | 113.4 | K794 K795 N796 | K794-K798 PolarHBondContact O-N 3.42Å; K795-K798 PolarHBondContact O-N 3.44Å; N796-K798 PolarHBondContact O-N 3.45Å; N796-K798 VanDerWaalsContact O-N 3.13Å |
| 799 | K | 47.1 | Very low | 65.2 | Low | 170 Ų | 170 | 122.3 Ų | 122.3 | 74% | 0.739 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -31.3 | -179.3 | -100.9 | -170.9 | 170 | -166.4 | 0 | 112.5 | K795 N796 | K795-K799 PolarHBondContact O-N 2.82Å; N796-K799 PolarHBondContact O-N 2.92Å |
| 800 | D | 40.3 | Very low | 64 | Low | 196 Ų | 196 | 123.5 Ų | 123.5 | 100% | 1.048 | 59% | 0.591 | S | S | * | * | trans | -76.8 | 0 | 157.8 | -59.6 | -23.5 | 0 | 0 | 0 | 108.9 | N796 | N796-D800 PolarHBondContact O-N 2.96Š|
Retrieved 800 of 800 residues in 623.7 ms
(Link to these results)