| 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 | 27.4 | Very low | 29 | Very low | 151 Ų | 151 | 88.9 Ų | 88.9 | 74% | 0.744 | 44% | 0.436 | S | S | * | . | 0 | -4.7 | 0 | -94.7 | -165.2 | -168.7 | 0 | 0 | 115.1 | V4 V5 L68 | M1-V4 HydrophobicContact CB-CB 4.21Å; M1-V4 HydrophobicContact CB-CG2 4.38Å; M1-V4 HydrophobicContact CG-CB 4.06Å; M1-V4 HydrophobicContact CG-CG2 4.02Å; M1-V4 CarbonylContact O-C 3.56Å; M1-V4 VanDerWaalsContact O-C 3.26Å; M1-V4 WeakPolarHBondContact O-CA 3.39Å; M1-V4 WeakPolarHBondContact O-CB 3.19Å; M1-V4 PolarHBondContact O-N 2.73Å; M1-V5 PolarHBondContact O-N 3.16Å; M1-L68 HydrophobicContact SD-CD2 3.83Å | |||
| 2 | M | 28.8 | Very low | 29.2 | Very low | 58 Ų | 58 | 86.6 Ų | 86.6 | 29% | 0.286 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -79.6 | -32.6 | 170 | -94.7 | 170.8 | 173.4 | 0 | 0 | 114.3 | V4 F6 F65 L527 I530 | M2-V4 PolarHBondContact O-N 3.29Å; M2-V4 VanDerWaalsContact O-N 3.11Å; M2-F6 PolarHBondContact O-N 3.41Å; M2-F65 HydrophobicContact CE-CE1 4.24Å; M2-F65 HydrophobicContact CE-CZ 3.84Å; M2-L527 HydrophobicContact CE-CB 4.12Å; M2-L527 HydrophobicContact CE-CD1 4.46Å; M2-L527 HydrophobicContact CE-CD2 3.18Å; M2-L527 HydrophobicContact CE-CG 3.29Å; M2-L527 HydrophobicContact SD-CD2 3.15Å; M2-L527 WeakPolarHBondContact SD-CD2 3.34Å; M2-L527 HydrophobicContact SD-CG 4Å; M2-I530 HydrophobicContact CE-CD1 3.6Å; M2-I530 HydrophobicContact CG-CD1 4.35Å; M2-I530 HydrophobicContact SD-CD1 3.61Å |
| 3 | R | 26.1 | Very low | 29.3 | Very low | 230 Ų | 230 | 84.1 Ų | 84.1 | 87% | 0.868 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.5 | -3.2 | 151.5 | -83.9 | -169.8 | -179.3 | -177.5 | 2 | 113.6 | S7 | R3-S7 VanDerWaalsContact C-CB 3.45Å; R3-S7 WeakPolarHBondContact O-CB 3.35Å |
| 4 | V | 28.9 | Very low | 29.2 | Very low | 68 Ų | 68 | 78.2 Ų | 78.2 | 41% | 0.412 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -100.8 | -79 | 167.6 | -173.3 | 0 | 0 | 0 | 0 | 105.4 | M1 M2 F6 S7 T8 | M1-V4 HydrophobicContact CB-CB 4.21Å; M1-V4 HydrophobicContact CB-CG2 4.38Å; M1-V4 HydrophobicContact CG-CB 4.06Å; M1-V4 HydrophobicContact CG-CG2 4.02Å; M1-V4 CarbonylContact O-C 3.56Å; M1-V4 VanDerWaalsContact O-C 3.26Å; M1-V4 WeakPolarHBondContact O-CA 3.39Å; M1-V4 WeakPolarHBondContact O-CB 3.19Å; M1-V4 PolarHBondContact O-N 2.73Å; M2-V4 PolarHBondContact O-N 3.29Å; M2-V4 VanDerWaalsContact O-N 3.11Å; V4-F6 PolarHBondContact O-N 2.92Å; V4-F6 VanDerWaalsContact O-N 3.17Å; V4-S7 CarbonylContact O-C 3.34Å; V4-S7 WeakPolarHBondContact O-CA 3.19Å; V4-S7 PolarHBondContact O-N 3.3Å; V4-S7 VanDerWaalsContact O-N 3.1Å; V4-T8 HydrophobicContact CB-CG2 4.3Å; V4-T8 HydrophobicContact CG1-CG2 3.49Å; V4-T8 VanDerWaalsContact CG1-CG2 3.49Å; V4-T8 WeakPolarHBondContact O-CA 3.34Å; V4-T8 WeakPolarHBondContact O-CB 3.28Å; V4-T8 VanDerWaalsContact O-CG2 3.25Å; V4-T8 WeakPolarHBondContact O-CG2 3.05Å; V4-T8 PolarHBondContact O-N 2.77Å; V4-T8 PolarHBondContact O-OG1 3.13Å |
| 5 | V | 30.6 | Very low | 29.2 | Very low | 71 Ų | 71 | 77.3 Ų | 77.3 | 43% | 0.43 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -48.5 | -54 | -170.6 | -170.5 | 0 | 0 | 0 | 0 | 116.7 | M1 T8 V9 | M1-V5 PolarHBondContact O-N 3.16Å; V5-T8 WeakPolarHBondContact CA-OG1 3.43Å; V5-T8 PolarHBondContact N-OG1 2.8Å; V5-T8 CarbonylContact O-C 3.58Å; V5-T8 PolarHBondContact O-N 3.03Å; V5-T8 VanDerWaalsContact O-N 3.15Å; V5-T8 PolarHBondContact O-OG1 3.46Å; V5-V9 WeakPolarHBondContact O-CG2 3.2Å; V5-V9 PolarHBondContact O-N 3.31Å |
| 6 | F | 29.1 | Very low | 29.2 | Very low | 121 Ų | 121 | 75.9 Ų | 75.9 | 53% | 0.531 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -74.5 | -43.5 | -179.9 | -122.1 | -86.1 | 0 | 0 | 0 | 111.3 | M2 V4 T8 V9 L10 V523 I564 | M2-F6 PolarHBondContact O-N 3.41Å; V4-F6 PolarHBondContact O-N 2.92Å; V4-F6 VanDerWaalsContact O-N 3.17Å; F6-T8 PolarHBondContact O-N 2.99Å; F6-T8 VanDerWaalsContact O-N 3.13Å; F6-V9 PolarHBondContact O-N 3.27Å; F6-L10 WeakPolarHBondContact O-CB 3.06Å; F6-L10 PolarHBondContact O-N 2.96Å; F6-V523 HydrophobicContact CD2-CG1 4.43Å; F6-V523 HydrophobicContact CE2-CG1 3.74Å; F6-I564 HydrophobicContact CE2-CD1 4.23Å |
| 7 | S | 29.5 | Very low | 29.4 | Very low | 35 Ų | 35 | 77.6 Ų | 77.6 | 25% | 0.245 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.1 | -3.2 | 169 | -141.6 | 0 | 0 | 0 | 0 | 112.1 | R3 V4 F11 | R3-S7 VanDerWaalsContact C-CB 3.45Å; R3-S7 WeakPolarHBondContact O-CB 3.35Å; V4-S7 CarbonylContact O-C 3.34Å; V4-S7 WeakPolarHBondContact O-CA 3.19Å; V4-S7 PolarHBondContact O-N 3.3Å; V4-S7 VanDerWaalsContact O-N 3.1Å; S7-F11 VanDerWaalsContact C-N 3.28Å; S7-F11 WeakPolarHBondContact O-CA 3.26Å; S7-F11 WeakPolarHBondContact O-CB 3.04Å; S7-F11 WeakPolarHBondContact O-CD2 3.41Å; S7-F11 WeakPolarHBondContact O-CG 3.5Å; S7-F11 PolarHBondContact O-N 3.16Å; S7-F11 WeakPolarHBondContact OG-CD2 3.41Å; S7-F11 WeakPolarHBondContact OG-CE2 2.98Å |
| 8 | T | 28.8 | Very low | 30.1 | Very low | 37 Ų | 37 | 73.4 Ų | 73.4 | 23% | 0.227 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -115.9 | -20.4 | 178.8 | 50.9 | 0 | 0 | 0 | 0 | 109.4 | V4 V5 F6 L12 | V4-T8 HydrophobicContact CB-CG2 4.3Å; V4-T8 HydrophobicContact CG1-CG2 3.49Å; V4-T8 VanDerWaalsContact CG1-CG2 3.49Å; V4-T8 WeakPolarHBondContact O-CA 3.34Å; V4-T8 WeakPolarHBondContact O-CB 3.28Å; V4-T8 VanDerWaalsContact O-CG2 3.25Å; V4-T8 WeakPolarHBondContact O-CG2 3.05Å; V4-T8 PolarHBondContact O-N 2.77Å; V4-T8 PolarHBondContact O-OG1 3.13Å; V5-T8 WeakPolarHBondContact CA-OG1 3.43Å; V5-T8 PolarHBondContact N-OG1 2.8Å; V5-T8 CarbonylContact O-C 3.58Å; V5-T8 PolarHBondContact O-N 3.03Å; V5-T8 VanDerWaalsContact O-N 3.15Å; V5-T8 PolarHBondContact O-OG1 3.46Å; F6-T8 PolarHBondContact O-N 2.99Å; F6-T8 VanDerWaalsContact O-N 3.13Å; T8-L12 HydrophobicContact CG2-CD1 4.42Å; T8-L12 HydrophobicContact CG2-CG 4.34Å; T8-L12 WeakPolarHBondContact O-CA 3.47Å; T8-L12 WeakPolarHBondContact O-CB 3.35Å; T8-L12 WeakPolarHBondContact O-CD1 3.29Å; T8-L12 WeakPolarHBondContact O-CG 3.45Å; T8-L12 PolarHBondContact O-N 2.92Å |
| 9 | V | 32.4 | Very low | 30.5 | Very low | 47 Ų | 47 | 69.8 Ų | 69.8 | 29% | 0.285 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.3 | -44.2 | 160.7 | 178.5 | 0 | 0 | 0 | 0 | 107.8 | V5 F6 C13 V504 | V5-V9 WeakPolarHBondContact O-CG2 3.2Å; V5-V9 PolarHBondContact O-N 3.31Å; F6-V9 PolarHBondContact O-N 3.27Å; V9-C13 PolarHBondContact O-N 3.13Å; V9-C13 PolarHBondContact O-SG 3.39Å; V9-V504 HydrophobicContact CG1-CG1 4.39Å; V9-V504 HydrophobicContact CG2-CG2 4.19Å |
| 10 | L | 29.8 | Very low | 30.8 | Very low | 79 Ų | 79 | 67.5 Ų | 67.5 | 41% | 0.414 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -75 | -46.4 | 172.7 | -129.2 | 80.5 | 0 | 0 | 0 | 112.4 | F6 V14 T398 I402 | F6-L10 WeakPolarHBondContact O-CB 3.06Å; F6-L10 PolarHBondContact O-N 2.96Å; L10-V14 WeakPolarHBondContact O-CG2 3.41Å; L10-V14 PolarHBondContact O-N 3.22Å; L10-T398 HydrophobicContact CD2-CG2 3.72Å; L10-I402 HydrophobicContact CD1-CD1 4.39Å; L10-I402 HydrophobicContact CD2-CD1 3.81Å; L10-I402 HydrophobicContact CG-CD1 3.89Å |
| 11 | F | 28.1 | Very low | 31.2 | Very low | 81 Ų | 81 | 65.5 Ų | 65.5 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -74.8 | -26.8 | 174 | -72.5 | -126.3 | 0 | 0 | 0 | 114 | S7 C13 V14 S15 | S7-F11 VanDerWaalsContact C-N 3.28Å; S7-F11 WeakPolarHBondContact O-CA 3.26Å; S7-F11 WeakPolarHBondContact O-CB 3.04Å; S7-F11 WeakPolarHBondContact O-CD2 3.41Å; S7-F11 WeakPolarHBondContact O-CG 3.5Å; S7-F11 PolarHBondContact O-N 3.16Å; S7-F11 WeakPolarHBondContact OG-CD2 3.41Å; S7-F11 WeakPolarHBondContact OG-CE2 2.98Å; F11-C13 PolarHBondContact O-N 3.02Å; F11-V14 VanDerWaalsContact C-N 3.33Å; F11-V14 CarbonylContact O-C 3.07Å; F11-V14 VanDerWaalsContact O-CA 3.23Å; F11-V14 WeakPolarHBondContact O-CA 3.46Å; F11-V14 PolarHBondContact O-N 3.18Å; F11-S15 WeakPolarHBondContact O-CA 3.48Å; F11-S15 WeakPolarHBondContact O-CB 3.17Å; F11-S15 PolarHBondContact O-N 3.3Å; F11-S15 PolarHBondContact O-OG 2.99Å |
| 12 | L | 31.6 | Very low | 31.6 | Very low | 61 Ų | 61 | 65 Ų | 65 | 32% | 0.319 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.9 | -26.7 | 176 | -67.9 | 160 | 0 | 0 | 0 | 110.6 | T8 V14 F496 L500 | T8-L12 HydrophobicContact CG2-CD1 4.42Å; T8-L12 HydrophobicContact CG2-CG 4.34Å; T8-L12 WeakPolarHBondContact O-CA 3.47Å; T8-L12 WeakPolarHBondContact O-CB 3.35Å; T8-L12 WeakPolarHBondContact O-CD1 3.29Å; T8-L12 WeakPolarHBondContact O-CG 3.45Å; T8-L12 PolarHBondContact O-N 2.92Å; L12-V14 PolarHBondContact O-N 3.1Å; L12-F496 HydrophobicContact CD2-CE2 4.04Å; L12-F496 HydrophobicContact CD2-CZ 4.47Å; L12-L500 HydrophobicContact CD1-CD2 4.01Å |
| 13 | C | 30 | Very low | 32 | Very low | 54 Ų | 54 | 65.6 Ų | 65.6 | 37% | 0.365 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -11.8 | 163.2 | -61.1 | 0 | 0 | 0 | 0 | 113.3 | V9 F11 I18 | V9-C13 PolarHBondContact O-N 3.13Å; V9-C13 PolarHBondContact O-SG 3.39Å; F11-C13 PolarHBondContact O-N 3.02Å; C13-I18 VanDerWaalsContact O-CD1 3.27Å; C13-I18 WeakPolarHBondContact O-CD1 3.21Å |
| 14 | V | 28.4 | Very low | 32.4 | Very low | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.012 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124 | 4.8 | -175 | 178.4 | 0 | 0 | 0 | 0 | 113 | L10 F11 L12 L16 F401 I402 R405 | L10-V14 WeakPolarHBondContact O-CG2 3.41Å; L10-V14 PolarHBondContact O-N 3.22Å; F11-V14 VanDerWaalsContact C-N 3.33Å; F11-V14 CarbonylContact O-C 3.07Å; F11-V14 VanDerWaalsContact O-CA 3.23Å; F11-V14 WeakPolarHBondContact O-CA 3.46Å; F11-V14 PolarHBondContact O-N 3.18Å; L12-V14 PolarHBondContact O-N 3.1Å; V14-L16 CarbonylContact C-O 3.53Å; V14-F401 HydrophobicContact CG1-CE1 4.3Å; V14-I402 HydrophobicContact CG2-CB 4.47Å; V14-I402 HydrophobicContact CG2-CG1 4.09Å; V14-I402 HydrophobicContact CG2-CG2 4.06Å; V14-R405 HydrophobicContact CG1-CB 3.77Å; V14-R405 HydrophobicContact CG1-CG 3.79Å; V14-R405 PolarHBondContact O-NH2 2.95Å |
| 15 | S | 28 | Very low | 33.2 | Very low | 64 Ų | 64 | 66.4 Ų | 66.4 | 45% | 0.448 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -111.3 | -3.3 | -176.7 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | F11 | F11-S15 WeakPolarHBondContact O-CA 3.48Å; F11-S15 WeakPolarHBondContact O-CB 3.17Å; F11-S15 PolarHBondContact O-N 3.3Å; F11-S15 PolarHBondContact O-OG 2.99Å |
| 16 | L | 29.9 | Very low | 34.1 | Very low | 56 Ų | 56 | 67 Ų | 67 | 29% | 0.293 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -77.4 | 131.6 | 143 | -93.9 | 71.2 | 0 | 0 | 0 | 105 | V14 I18 L172 F182 F776 | V14-L16 CarbonylContact C-O 3.53Å; L16-I18 HydrophobicContact CB-CG1 4.28Å; L16-I18 WeakPolarHBondContact O-CD1 3.48Å; L16-I18 WeakPolarHBondContact O-CG1 3.33Å; L16-L172 HydrophobicContact CD2-CD2 4.47Å; L16-F182 HydrophobicContact CD2-CZ 4.16Å; L16-F776 HydrophobicContact CD2-CE2 3.68Å; L16-F776 HydrophobicContact CD2-CZ 4.01Å |
| 17 | D | 32.7 | Very low | 35.5 | Very low | 104 Ų | 104 | 65.8 Ų | 65.8 | 56% | 0.556 | 37% | 0.369 | S | S | * | . | trans | -63.5 | 132.5 | 160.1 | -57.9 | -57 | 0 | 0 | 0 | 105.8 | Y418 | D17-Y418 WeakPolarHBondContact O-CD2 3.22Å; D17-Y418 WeakPolarHBondContact O-CE2 3.3Å | ||
| 18 | I | 41.5 | Very low | 37.2 | Very low | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | trans | -131.8 | 105.2 | -156.5 | -65.4 | 142.2 | 0 | 0 | 0 | 111 | C13 L16 F182 I406 E409 | C13-I18 VanDerWaalsContact O-CD1 3.27Å; C13-I18 WeakPolarHBondContact O-CD1 3.21Å; L16-I18 HydrophobicContact CB-CG1 4.28Å; L16-I18 WeakPolarHBondContact O-CD1 3.48Å; L16-I18 WeakPolarHBondContact O-CG1 3.33Å; I18-F182 HydrophobicContact CB-CD1 4.23Å; I18-F182 HydrophobicContact CB-CE1 4.21Å; I18-F182 HydrophobicContact CD1-CE1 4.38Å; I18-F182 HydrophobicContact CG1-CD1 3.97Å; I18-F182 HydrophobicContact CG1-CE1 3.54Å; I18-F182 HydrophobicContact CG1-CZ 4.07Å; I18-F182 HydrophobicContact CG2-CB 3.93Å; I18-F182 HydrophobicContact CG2-CD1 3.21Å; I18-F182 HydrophobicContact CG2-CD2 4.16Å; I18-F182 HydrophobicContact CG2-CE1 3.66Å; I18-F182 HydrophobicContact CG2-CG 3.49Å; I18-F182 VanDerWaalsContact CG2-CG 3.49Å; I18-F182 HydrophobicContact CG2-CZ 4.28Å; I18-I406 HydrophobicContact CD1-CG1 4.15Å; I18-I406 HydrophobicContact CG2-CB 3.97Å; I18-I406 HydrophobicContact CG2-CG1 3.94Å; I18-I406 HydrophobicContact CG2-CG2 3.84Å; I18-I406 CarbonylContact O-C 3.26Å; I18-I406 VanDerWaalsContact O-O 3.04Å; I18-E409 PolarHBondContact N-OE2 3.46Å; I18-E409 WeakPolarHBondContact O-CB 2.94Å | ||
| 19 | A | 37.2 | Very low | 39.3 | Very low | 6 Ų | 6 | 70.2 Ų | 70.2 | 5% | 0.05 | 39% | 0.393 | C | S | . | . | trans | -101.5 | 140.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E409 N415 Y418 | A19-E409 VanDerWaalsContact CA-CB 3.44Å; A19-E409 HydrophobicContact CB-CB 3.53Å; A19-E409 HydrophobicContact CB-CG 4.04Å; A19-N415 WeakPolarHBondContact CB-OD1 3.41Å; A19-Y418 HydrophobicContact CB-CD1 3.1Å; A19-Y418 HydrophobicContact CB-CE1 3.56Å; A19-Y418 HydrophobicContact CB-CG 3.71Å | ||
| 20 | V | 38.1 | Very low | 41.6 | Very low | 22 Ų | 22 | 70 Ų | 70 | 13% | 0.133 | 39% | 0.394 | C | S | . | . | trans | -111.4 | 119.3 | 159.3 | 177 | 0 | 0 | 0 | 0 | 105.9 | F182 I406 I410 | V20-F182 HydrophobicContact CG2-CB 4.16Å; V20-I406 HydrophobicContact CG2-CG2 4.11Å; V20-I410 HydrophobicContact CB-CD1 4.4Å; V20-I410 HydrophobicContact CB-CG1 4.11Å; V20-I410 WeakPolarHBondContact O-CG1 3.31Å | ||
| 21 | C | 39 | Very low | 44.1 | Very low | 27 Ų | 27 | 66.5 Ų | 66.5 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | trans | -79.8 | -177 | -169.7 | -167.3 | 0 | 0 | 0 | 0 | 112.3 | R175 N415 | C21-R175 VanDerWaalsContact C-NE 3.31Å; C21-R175 PolarHBondContact O-NE 3.29Å; C21-R175 PolarHBondContact O-NH2 3.4Å; C21-R175 VanDerWaalsContact O-NH2 3.12Å; C21-N415 PolarHBondContact SG-ND2 3.19Å | ||
| 22 | N | 34.3 | Very low | 46.9 | Very low | 140 Ų | 140 | 70.1 Ų | 70.1 | 75% | 0.749 | 39% | 0.387 | S | S | * | . | trans | -131.5 | 110.4 | 162.4 | -138.7 | 17.3 | 0 | 0 | 0 | 108.9 | ||||
| 23 | S | 37.2 | Very low | 49.6 | Very low | 70 Ų | 70 | 71.1 Ų | 71.1 | 49% | 0.49 | 40% | 0.396 | S | S | . | . | trans | -160.8 | 96.9 | -174.7 | 61.6 | 0 | 0 | 0 | 0 | 105.1 | R175 | S23-R175 VanDerWaalsContact C-NH1 3.28Å; S23-R175 PolarHBondContact O-NH1 3.24Å; S23-R175 PolarHBondContact OG-NH2 2.57Å | ||
| 24 | E | 36.2 | Very low | 52.5 | Low | 184 Ų | 184 | 69.5 Ų | 69.5 | 86% | 0.86 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -58 | 148.8 | 171.5 | -68.3 | 170.1 | 143.8 | 0 | 0 | 108.4 | ||
| 25 | V | 44.2 | Very low | 55.4 | Low | 132 Ų | 132 | 71.6 Ų | 71.6 | 80% | 0.8 | 40% | 0.395 | S | S | * | . | trans | 90.5 | 58.9 | 179.4 | -157 | 0 | 0 | 0 | 0 | 115.5 | D27 | V25-D27 PolarHBondContact O-N 3.31Š| ||
| 26 | D | 51 | Low | 58.5 | Low | 82 Ų | 82 | 74.3 Ų | 74.3 | 44% | 0.439 | 40% | 0.401 | S | S | . | . | trans | -78.2 | 103.6 | 147.3 | -86.9 | -26.2 | 0 | 0 | 0 | 106.7 | D28 | D26-D28 PolarHBondContact O-N 3.35Š| ||
| 27 | D | 56.7 | Low | 61.5 | Low | 97 Ų | 97 | 74.2 Ų | 74.2 | 52% | 0.519 | 40% | 0.4 | S | S | . | . | trans | -69.4 | 123.3 | 176 | -167.4 | 25.9 | 0 | 0 | 0 | 108.3 | V25 S29 S30 | V25-D27 PolarHBondContact O-N 3.31Å; D27-S29 PolarHBondContact O-N 2.89Å; D27-S29 PolarHBondContact OD2-OG 3.28Å; D27-S30 WeakPolarHBondContact O-CB 3.35Å; D27-S30 PolarHBondContact O-N 2.96Å; D27-S30 PolarHBondContact O-OG 2.96Å | ||
| 28 | D | 65.9 | Low | 64.3 | Low | 103 Ų | 103 | 70.6 Ų | 70.6 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -51.5 | -23.3 | -176.8 | -110.1 | -13.3 | 0 | 0 | 0 | 112.9 | D26 R32 R178 | D26-D28 PolarHBondContact O-N 3.35Å; D28-R32 PolarHBondContact O-N 3.29Å; D28-R178 IonicContact OD1-NH2 3.53Å |
| 29 | S | 74.1 | Confident | 66.7 | Low | 62 Ų | 62 | 75.2 Ų | 75.2 | 43% | 0.434 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 172.7 | 75.7 | 0 | 0 | 0 | 0 | 112.6 | D27 R32 T33 | D27-S29 PolarHBondContact O-N 2.89Å; D27-S29 PolarHBondContact OD2-OG 3.28Å; S29-R32 PolarHBondContact O-N 3.32Å; S29-T33 VanDerWaalsContact O-CG2 3.27Å; S29-T33 WeakPolarHBondContact O-CG2 3.08Å; S29-T33 PolarHBondContact O-N 3.26Å; S29-T33 VanDerWaalsContact O-N 3.08Å |
| 30 | S | 79.1 | Confident | 69.4 | Low | 43 Ų | 43 | 78.3 Ų | 78.3 | 30% | 0.301 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65 | -48.9 | -178.9 | 68.6 | 0 | 0 | 0 | 0 | 111 | D27 R32 T33 T34 | D27-S30 WeakPolarHBondContact O-CB 3.35Å; D27-S30 PolarHBondContact O-N 2.96Å; D27-S30 PolarHBondContact O-OG 2.96Å; S30-R32 VanDerWaalsContact C-N 3.3Å; S30-R32 PolarHBondContact O-N 2.7Å; S30-T33 PolarHBondContact O-N 3.26Å; S30-T33 VanDerWaalsContact O-N 3.1Å; S30-T33 PolarHBondContact O-OG1 3.34Å; S30-T34 PolarHBondContact O-N 3.07Å; S30-T34 PolarHBondContact O-OG1 2.91Å; S30-T34 VanDerWaalsContact O-OG1 3.12Å |
| 31 | T | 83.9 | Confident | 72.1 | Confident | 5 Ų | 5 | 77.4 Ų | 77.4 | 3% | 0.031 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -55.3 | -46.6 | 176.2 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | T33 T34 L35 D176 I179 | T31-T33 VanDerWaalsContact C-N 3.34Å; T31-T33 PolarHBondContact O-N 3.25Å; T31-T34 PolarHBondContact O-N 3.07Å; T31-L35 HydrophobicContact CG2-CD1 4.15Å; T31-L35 WeakPolarHBondContact O-CG 3.46Å; T31-L35 PolarHBondContact O-N 3.42Å; T31-D176 HydrophobicContact CG2-CB 4.46Å; T31-D176 WeakPolarHBondContact CG2-OD2 3.14Å; T31-I179 HydrophobicContact CG2-CD1 3.51Å; T31-I179 HydrophobicContact CG2-CG1 4.27Å |
| 32 | R | 86.1 | Confident | 74.7 | Confident | 156 Ų | 156 | 81 Ų | 81 | 59% | 0.589 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.2 | -42 | 179.2 | -170.8 | 178.4 | -60.1 | 157.1 | 6.7 | 111.9 | D28 S29 S30 L35 Q36 | D28-R32 PolarHBondContact O-N 3.29Å; S29-R32 PolarHBondContact O-N 3.32Å; S30-R32 VanDerWaalsContact C-N 3.3Å; S30-R32 PolarHBondContact O-N 2.7Å; R32-L35 PolarHBondContact O-N 3.13Å; R32-Q36 WeakPolarHBondContact O-CB 3.47Å; R32-Q36 VanDerWaalsContact O-CG 3.31Å; R32-Q36 WeakPolarHBondContact O-CG 3.11Å; R32-Q36 PolarHBondContact O-N 2.9Å |
| 33 | T | 88.9 | Confident | 77.6 | Confident | 82 Ų | 82 | 79.7 Ų | 79.7 | 50% | 0.503 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 178.7 | 60.7 | 0 | 0 | 0 | 0 | 112.2 | S29 S30 T31 Q36 L37 | S29-T33 VanDerWaalsContact O-CG2 3.27Å; S29-T33 WeakPolarHBondContact O-CG2 3.08Å; S29-T33 PolarHBondContact O-N 3.26Å; S29-T33 VanDerWaalsContact O-N 3.08Å; S30-T33 PolarHBondContact O-N 3.26Å; S30-T33 VanDerWaalsContact O-N 3.1Å; S30-T33 PolarHBondContact O-OG1 3.34Å; T31-T33 VanDerWaalsContact C-N 3.34Å; T31-T33 PolarHBondContact O-N 3.25Å; T33-Q36 PolarHBondContact O-N 2.87Å; T33-L37 WeakPolarHBondContact O-CB 3.19Å; T33-L37 PolarHBondContact O-N 3.01Å |
| 34 | T | 89.3 | Confident | 80.3 | Confident | 20 Ų | 20 | 76.8 Ų | 76.8 | 12% | 0.123 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 177.7 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | S30 T31 L37 R38 L167 E170 I179 | S30-T34 PolarHBondContact O-N 3.07Å; S30-T34 PolarHBondContact O-OG1 2.91Å; S30-T34 VanDerWaalsContact O-OG1 3.12Å; T31-T34 PolarHBondContact O-N 3.07Å; T34-L37 PolarHBondContact O-N 3.48Å; T34-R38 WeakPolarHBondContact O-CB 3.3Å; T34-R38 PolarHBondContact O-N 3.34Å; T34-L167 HydrophobicContact CG2-CD2 3.95Å; T34-E170 HydrophobicContact CG2-CB 4.16Å; T34-E170 HydrophobicContact CG2-CG 4.13Å; T34-I179 HydrophobicContact CG2-CD1 3.92Å; T34-I179 HydrophobicContact CG2-CG1 4.37Å; T34-I179 HydrophobicContact CG2-CG2 3.86Å |
| 35 | L | 90.3 | Very high | 83.2 | Confident | 47 Ų | 47 | 68.2 Ų | 68.2 | 25% | 0.246 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.6 | -45.8 | 174.1 | -70.8 | 172.6 | 0 | 0 | 0 | 111.5 | T31 R32 L37 R38 D39 R178 I179 | T31-L35 HydrophobicContact CG2-CD1 4.15Å; T31-L35 WeakPolarHBondContact O-CG 3.46Å; T31-L35 PolarHBondContact O-N 3.42Å; R32-L35 PolarHBondContact O-N 3.13Å; L35-L37 VanDerWaalsContact C-N 3.29Å; L35-L37 PolarHBondContact O-N 2.97Å; L35-R38 WeakPolarHBondContact O-CB 3.27Å; L35-R38 PolarHBondContact O-N 3Å; L35-D39 VanDerWaalsContact O-CG 3.29Å; L35-D39 PolarHBondContact O-N 3.07Å; L35-R178 HydrophobicContact CD1-CB 4.42Å; L35-R178 HydrophobicContact CD2-CB 4.4Å; L35-I179 HydrophobicContact CD2-CG1 3.96Å; L35-I179 HydrophobicContact CG-CD1 4.42Å; L35-I179 HydrophobicContact CG-CG1 4.14Å |
| 36 | Q | 92.6 | Very high | 85.5 | Confident | 120 Ų | 120 | 65.6 Ų | 65.6 | 56% | 0.561 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.3 | -39.6 | 175 | -74.4 | 177.7 | -21.3 | 0 | 0 | 112.3 | R32 T33 D39 S40 | R32-Q36 WeakPolarHBondContact O-CB 3.47Å; R32-Q36 VanDerWaalsContact O-CG 3.31Å; R32-Q36 WeakPolarHBondContact O-CG 3.11Å; R32-Q36 PolarHBondContact O-N 2.9Å; T33-Q36 PolarHBondContact O-N 2.87Å; Q36-D39 PolarHBondContact O-N 3.1Å; Q36-S40 WeakPolarHBondContact O-CB 3.19Å; Q36-S40 PolarHBondContact O-N 3.45Å |
| 37 | L | 92.8 | Very high | 87.6 | Confident | 54 Ų | 54 | 65.1 Ų | 65.1 | 28% | 0.283 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 176.3 | -174.8 | 62.4 | 0 | 0 | 0 | 111.2 | T33 T34 L35 D39 S40 V41 I163 L167 | T33-L37 WeakPolarHBondContact O-CB 3.19Å; T33-L37 PolarHBondContact O-N 3.01Å; T34-L37 PolarHBondContact O-N 3.48Å; L35-L37 VanDerWaalsContact C-N 3.29Å; L35-L37 PolarHBondContact O-N 2.97Å; L37-D39 PolarHBondContact O-N 3.3Å; L37-S40 PolarHBondContact O-N 3.25Å; L37-S40 PolarHBondContact O-OG 3.35Å; L37-V41 PolarHBondContact O-N 3.34Å; L37-I163 HydrophobicContact CD1-CD1 4.42Å; L37-I163 HydrophobicContact CD1-CG1 4.47Å; L37-I163 HydrophobicContact CD1-CG2 3.71Å; L37-I163 HydrophobicContact CD2-CG2 3.96Å; L37-I163 HydrophobicContact CG-CG2 3.69Å; L37-L167 HydrophobicContact CB-CD2 4.45Å; L37-L167 HydrophobicContact CD2-CD2 4.24Å; L37-L167 HydrophobicContact CG-CD2 4.32Å |
| 38 | R | 92.4 | Very high | 89.5 | Confident | 28 Ų | 28 | 60.5 Ų | 60.5 | 11% | 0.106 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 175.2 | -174.6 | -171.6 | -171.6 | 165.8 | 10.8 | 111.8 | T34 L35 S40 V41 E42 Y45 L167 R178 Y774 T775 | T34-R38 WeakPolarHBondContact O-CB 3.3Å; T34-R38 PolarHBondContact O-N 3.34Å; L35-R38 WeakPolarHBondContact O-CB 3.27Å; L35-R38 PolarHBondContact O-N 3Å; R38-S40 VanDerWaalsContact C-N 3.3Å; R38-S40 PolarHBondContact O-N 3.16Å; R38-V41 WeakPolarHBondContact O-CG2 3.42Å; R38-V41 PolarHBondContact O-N 2.89Å; R38-E42 PolarHBondContact O-N 2.95Å; R38-Y45 HydrophobicContact CG-CE2 4.18Å; R38-L167 HydrophobicContact CB-CD1 4.28Å; R38-L167 HydrophobicContact CB-CD2 4.16Å; R38-R178 PolarHBondContact NH1-O 3.46Å; R38-Y774 PolarHBondContact NH2-O 3.46Å; R38-T775 VanDerWaalsContact NH2-CA 3.26Å; R38-T775 PolarHBondContact NH2-OG1 2.87Å |
| 39 | D | 92.2 | Very high | 90.9 | Very high | 100 Ų | 100 | 56.5 Ų | 56.5 | 54% | 0.535 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 178.6 | -65.7 | -15.1 | 0 | 0 | 0 | 110.9 | L35 Q36 L37 V41 E42 | L35-D39 VanDerWaalsContact O-CG 3.29Å; L35-D39 PolarHBondContact O-N 3.07Å; Q36-D39 PolarHBondContact O-N 3.1Å; L37-D39 PolarHBondContact O-N 3.3Å; D39-V41 PolarHBondContact O-N 3.17Å; D39-E42 WeakPolarHBondContact O-CB 3.42Å; D39-E42 PolarHBondContact O-N 3.3Å |
| 40 | S | 93.6 | Very high | 91.8 | Very high | 70 Ų | 70 | 60.4 Ų | 60.4 | 49% | 0.49 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.7 | -22.7 | 179.2 | 80.5 | 0 | 0 | 0 | 0 | 114.3 | Q36 L37 R38 F43 | Q36-S40 WeakPolarHBondContact O-CB 3.19Å; Q36-S40 PolarHBondContact O-N 3.45Å; L37-S40 PolarHBondContact O-N 3.25Å; L37-S40 PolarHBondContact O-OG 3.35Å; R38-S40 VanDerWaalsContact C-N 3.3Å; R38-S40 PolarHBondContact O-N 3.16Å; S40-F43 WeakPolarHBondContact O-CE1 3.45Å |
| 41 | V | 94.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | 10 | 179.7 | -59 | 0 | 0 | 0 | 0 | 113.6 | L37 R38 D39 F43 S44 L160 I163 L167 | L37-V41 PolarHBondContact O-N 3.34Å; R38-V41 WeakPolarHBondContact O-CG2 3.42Å; R38-V41 PolarHBondContact O-N 2.89Å; D39-V41 PolarHBondContact O-N 3.17Å; V41-F43 PolarHBondContact O-N 2.87Å; V41-F43 VanDerWaalsContact O-N 3.15Å; V41-S44 VanDerWaalsContact O-CB 3.27Å; V41-S44 WeakPolarHBondContact O-CB 3.24Å; V41-S44 PolarHBondContact O-N 3.13Å; V41-S44 PolarHBondContact O-OG 2.92Å; V41-L160 HydrophobicContact CB-CD2 4.27Å; V41-L160 HydrophobicContact CG1-CD2 3.92Å; V41-I163 HydrophobicContact CG1-CB 4.28Å; V41-I163 HydrophobicContact CG1-CD1 4.25Å; V41-I163 HydrophobicContact CG1-CG2 3.62Å; V41-I163 HydrophobicContact CG2-CG2 4.34Å; V41-L167 HydrophobicContact CG2-CD1 3.5Å; V41-L167 VanDerWaalsContact CG2-CD1 3.5Å |
| 42 | E | 93.6 | Very high | 93.1 | Very high | 104 Ų | 104 | 61.3 Ų | 61.3 | 49% | 0.486 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.1 | -34.8 | -177.5 | -171.9 | -180 | -160 | 0 | 0 | 112.9 | R38 D39 S44 Y45 S46 | R38-E42 PolarHBondContact O-N 2.95Å; D39-E42 WeakPolarHBondContact O-CB 3.42Å; D39-E42 PolarHBondContact O-N 3.3Å; E42-S44 PolarHBondContact O-N 3.01Å; E42-S44 VanDerWaalsContact O-N 3.15Å; E42-Y45 HydrophobicContact CB-CD2 4.45Å; E42-Y45 HydrophobicContact CG-CD2 4.3Å; E42-Y45 WeakPolarHBondContact O-CB 3.31Å; E42-Y45 PolarHBondContact O-N 3.27Å; E42-S46 PolarHBondContact O-N 3.15Å; E42-S46 VanDerWaalsContact O-N 3.16Å |
| 43 | F | 94.6 | Very high | 93.4 | Very high | 111 Ų | 111 | 56.2 Ų | 56.2 | 49% | 0.487 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.2 | -29.5 | 175.2 | 76.2 | -89.2 | 0 | 0 | 0 | 112.7 | S40 V41 S46 I47 L160 | S40-F43 WeakPolarHBondContact O-CE1 3.45Å; V41-F43 PolarHBondContact O-N 2.87Å; V41-F43 VanDerWaalsContact O-N 3.15Å; F43-S46 WeakPolarHBondContact O-CB 3.34Å; F43-S46 PolarHBondContact O-N 2.84Å; F43-I47 HydrophobicContact CD2-CD1 3.94Å; F43-I47 HydrophobicContact CE2-CD1 4.37Å; F43-I47 WeakPolarHBondContact O-CG1 3.42Å; F43-I47 PolarHBondContact O-N 3.27Å; F43-L160 HydrophobicContact CE1-CD2 4.03Å; F43-L160 HydrophobicContact CE2-CD1 3.96Å; F43-L160 HydrophobicContact CE2-CD2 4.21Å; F43-L160 HydrophobicContact CZ-CD1 3.78Å; F43-L160 HydrophobicContact CZ-CD2 3.5Å; F43-L160 VanDerWaalsContact CZ-CD2 3.5Å; F43-L160 HydrophobicContact CZ-CG 4.23Å |
| 44 | S | 94.9 | Very high | 93.5 | Very high | 9 Ų | 9 | 57.9 Ų | 57.9 | 6% | 0.063 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.8 | -32.8 | 176.9 | 76.5 | 0 | 0 | 0 | 0 | 112.2 | V41 E42 I47 S48 N164 | V41-S44 VanDerWaalsContact O-CB 3.27Å; V41-S44 WeakPolarHBondContact O-CB 3.24Å; V41-S44 PolarHBondContact O-N 3.13Å; V41-S44 PolarHBondContact O-OG 2.92Å; E42-S44 PolarHBondContact O-N 3.01Å; E42-S44 VanDerWaalsContact O-N 3.15Å; S44-I47 PolarHBondContact O-N 2.82Å; S44-S48 WeakPolarHBondContact O-CB 3.45Å; S44-S48 PolarHBondContact O-N 3.28Å; S44-S48 PolarHBondContact O-OG 3.19Å; S44-N164 PolarHBondContact OG-ND2 3.36Å; S44-N164 VanDerWaalsContact OG-ND2 3.15Å |
| 45 | Y | 95.4 | Very high | 93.6 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 171 | -51.8 | -34.3 | 0 | 0 | 0 | 110.9 | R38 E42 S48 N49 N164 L167 M778 P779 A782 | R38-Y45 HydrophobicContact CG-CE2 4.18Å; E42-Y45 HydrophobicContact CB-CD2 4.45Å; E42-Y45 HydrophobicContact CG-CD2 4.3Å; E42-Y45 WeakPolarHBondContact O-CB 3.31Å; E42-Y45 PolarHBondContact O-N 3.27Å; Y45-S48 PolarHBondContact O-N 2.83Å; Y45-N49 WeakPolarHBondContact O-CB 3.24Å; Y45-N49 VanDerWaalsContact O-CG 3.27Å; Y45-N49 PolarHBondContact O-N 2.94Å; Y45-N49 PolarHBondContact O-ND2 3.4Å; Y45-N49 VanDerWaalsContact O-ND2 3.15Å; Y45-N164 WeakPolarHBondContact CE1-OD1 3.47Å; Y45-L167 WeakPolarHBondContact OH-CD1 3.27Å; Y45-M778 HydrophobicContact CD1-CB 3.66Å; Y45-M778 HydrophobicContact CD2-CB 4.23Å; Y45-M778 HydrophobicContact CD2-CE 3.36Å; Y45-M778 HydrophobicContact CD2-SD 3.9Å; Y45-M778 HydrophobicContact CE1-CB 3.95Å; Y45-M778 HydrophobicContact CE2-CB 4.5Å; Y45-M778 HydrophobicContact CE2-CE 3.64Å; Y45-M778 HydrophobicContact CG-CB 3.82Å; Y45-M778 HydrophobicContact CG-CE 3.93Å; Y45-M778 HydrophobicContact CG-CG 4.39Å; Y45-M778 HydrophobicContact CG-SD 3.92Å; Y45-P779 HydrophobicContact CE1-CB 4.32Å; Y45-A782 HydrophobicContact CD1-CB 3.75Å; Y45-A782 HydrophobicContact CE1-CB 3.95Å |
| 46 | S | 94.4 | Very high | 93.6 | Very high | 77 Ų | 77 | 56 Ų | 56 | 54% | 0.538 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 176 | -173.8 | 0 | 0 | 0 | 0 | 111.9 | E42 F43 S48 N49 F50 | E42-S46 PolarHBondContact O-N 3.15Å; E42-S46 VanDerWaalsContact O-N 3.16Å; F43-S46 WeakPolarHBondContact O-CB 3.34Å; F43-S46 PolarHBondContact O-N 2.84Å; S46-S48 VanDerWaalsContact C-N 3.34Å; S46-S48 PolarHBondContact O-N 3.23Å; S46-N49 PolarHBondContact O-N 2.77Å; S46-F50 VanDerWaalsContact O-CB 3.26Å; S46-F50 WeakPolarHBondContact O-CB 3.02Å; S46-F50 PolarHBondContact O-N 3.46Å |
| 47 | I | 94.8 | Very high | 93.2 | Very high | 71 Ų | 71 | 51.6 Ų | 51.6 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 175.4 | -68.5 | 167.2 | 0 | 0 | 0 | 111 | F43 S44 F50 F51 T785 F789 | F43-I47 HydrophobicContact CD2-CD1 3.94Å; F43-I47 HydrophobicContact CE2-CD1 4.37Å; F43-I47 WeakPolarHBondContact O-CG1 3.42Å; F43-I47 PolarHBondContact O-N 3.27Å; S44-I47 PolarHBondContact O-N 2.82Å; I47-F50 PolarHBondContact O-N 2.83Å; I47-F51 WeakPolarHBondContact O-CB 3.46Å; I47-F51 PolarHBondContact O-N 3.4Å; I47-T785 HydrophobicContact CG2-CG2 4.22Å; I47-F789 HydrophobicContact CG2-CE2 3.83Å; I47-F789 HydrophobicContact CG2-CZ 4.27Å |
| 48 | S | 95.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.4 | -48.3 | -179.6 | -52.9 | 0 | 0 | 0 | 0 | 111.1 | S44 Y45 S46 F51 L52 A782 T785 | S44-S48 WeakPolarHBondContact O-CB 3.45Å; S44-S48 PolarHBondContact O-N 3.28Å; S44-S48 PolarHBondContact O-OG 3.19Å; Y45-S48 PolarHBondContact O-N 2.83Å; S46-S48 VanDerWaalsContact C-N 3.34Å; S46-S48 PolarHBondContact O-N 3.23Å; S48-F51 PolarHBondContact O-N 3.49Å; S48-L52 WeakPolarHBondContact O-CB 3.35Å; S48-L52 VanDerWaalsContact O-CG 3.25Å; S48-L52 WeakPolarHBondContact O-CG 3.45Å; S48-L52 PolarHBondContact O-N 3.23Å; S48-A782 WeakPolarHBondContact OG-CA 3.17Å; S48-T785 WeakPolarHBondContact OG-CB 3.39Å; S48-T785 PolarHBondContact OG-OG1 2.89Å |
| 49 | N | 95 | Very high | 91.9 | Very high | 19 Ų | 19 | 60.8 Ų | 60.8 | 10% | 0.102 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63 | -43.9 | 177.8 | -73.7 | -35.8 | 0 | 0 | 0 | 111.8 | Y45 S46 F51 L52 D53 Q501 | Y45-N49 WeakPolarHBondContact O-CB 3.24Å; Y45-N49 VanDerWaalsContact O-CG 3.27Å; Y45-N49 PolarHBondContact O-N 2.94Å; Y45-N49 PolarHBondContact O-ND2 3.4Å; Y45-N49 VanDerWaalsContact O-ND2 3.15Å; S46-N49 PolarHBondContact O-N 2.77Å; N49-F51 VanDerWaalsContact C-N 3.34Å; N49-F51 PolarHBondContact O-N 3.48Å; N49-L52 PolarHBondContact O-N 3.06Å; N49-D53 WeakPolarHBondContact O-CB 3.24Å; N49-D53 PolarHBondContact O-N 3.48Å; N49-Q501 PolarHBondContact OD1-NE2 2.93Å |
| 50 | F | 94.5 | Very high | 90.9 | Very high | 144 Ų | 144 | 58.4 Ų | 58.4 | 63% | 0.632 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -59.2 | -45.4 | 176.9 | 176.8 | -97.2 | 0 | 0 | 0 | 111.6 | S46 I47 D53 L54 | S46-F50 VanDerWaalsContact O-CB 3.26Å; S46-F50 WeakPolarHBondContact O-CB 3.02Å; S46-F50 PolarHBondContact O-N 3.46Å; I47-F50 PolarHBondContact O-N 2.83Å; F50-D53 PolarHBondContact O-N 3.25Å; F50-L54 HydrophobicContact CE1-CD2 4.5Å; F50-L54 VanDerWaalsContact O-CB 3.26Å; F50-L54 WeakPolarHBondContact O-CB 3.46Å; F50-L54 PolarHBondContact O-N 2.7Å |
| 51 | F | 94.9 | Very high | 89.8 | Confident | 66 Ų | 66 | 56.4 Ų | 56.4 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 176.7 | 176.6 | -102.1 | 0 | 0 | 0 | 111.9 | I47 S48 N49 D53 L54 I55 F494 W784 | I47-F51 WeakPolarHBondContact O-CB 3.46Å; I47-F51 PolarHBondContact O-N 3.4Å; S48-F51 PolarHBondContact O-N 3.49Å; N49-F51 VanDerWaalsContact C-N 3.34Å; N49-F51 PolarHBondContact O-N 3.48Å; F51-D53 PolarHBondContact O-N 3.07Å; F51-L54 WeakPolarHBondContact O-CB 3.21Å; F51-L54 PolarHBondContact O-N 3.46Å; F51-I55 HydrophobicContact CD2-CG2 4.4Å; F51-I55 HydrophobicContact CE1-CD1 4.18Å; F51-I55 HydrophobicContact CE1-CG2 4.24Å; F51-I55 HydrophobicContact CE2-CG2 3.97Å; F51-I55 HydrophobicContact CZ-CG2 3.89Å; F51-I55 WeakPolarHBondContact O-CG1 3.34Å; F51-I55 WeakPolarHBondContact O-CG2 3.31Å; F51-I55 PolarHBondContact O-N 2.93Å; F51-F494 AromaticContact CE1-CE2 3.91Å; F51-F494 HydrophobicContact CE1-CE2 3.91Å; F51-W784 AromaticContact CD1-CH2 3.88Å; F51-W784 HydrophobicContact CD1-CH2 3.88Å; F51-W784 HydrophobicContact CD1-CZ3 4.24Å; F51-W784 HydrophobicContact CE1-CH2 4.04Å; F51-W784 HydrophobicContact CE1-CZ3 4.1Å |
| 52 | L | 95.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 178.6 | -71.8 | 174.3 | 0 | 0 | 0 | 112.5 | S48 N49 L54 I55 R56 Y94 F494 G498 Q501 T502 W784 | S48-L52 WeakPolarHBondContact O-CB 3.35Å; S48-L52 VanDerWaalsContact O-CG 3.25Å; S48-L52 WeakPolarHBondContact O-CG 3.45Å; S48-L52 PolarHBondContact O-N 3.23Å; N49-L52 PolarHBondContact O-N 3.06Å; L52-L54 VanDerWaalsContact C-N 3.34Å; L52-I55 HydrophobicContact CD2-CD1 4.05Å; L52-I55 WeakPolarHBondContact O-CG1 3.37Å; L52-I55 PolarHBondContact O-N 3.18Å; L52-R56 WeakPolarHBondContact O-CB 3.5Å; L52-R56 PolarHBondContact O-N 3.48Å; L52-Y94 HydrophobicContact CD2-CE1 4.36Å; L52-F494 HydrophobicContact CD2-CD2 4.39Å; L52-F494 HydrophobicContact CD2-CE2 4.06Å; L52-G498 VanDerWaalsContact CD2-CA 3.5Å; L52-Q501 HydrophobicContact CD1-CB 3.89Å; L52-Q501 HydrophobicContact CD1-CG 3.81Å; L52-T502 HydrophobicContact CB-CG2 3.74Å; L52-W784 HydrophobicContact CD1-CZ2 4.21Å; L52-W784 HydrophobicContact CD2-CH2 3.96Å; L52-W784 HydrophobicContact CD2-CZ2 3.86Å; L52-W784 HydrophobicContact CG-CH2 4.31Å; L52-W784 HydrophobicContact CG-CZ2 4.19Å |
| 53 | D | 91.2 | Very high | 87.5 | Confident | 49 Ų | 49 | 53.8 Ų | 53.8 | 26% | 0.262 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.3 | -36.6 | 176.6 | -74.9 | -26.5 | 0 | 0 | 0 | 111.9 | N49 F50 F51 G57 R506 | N49-D53 WeakPolarHBondContact O-CB 3.24Å; N49-D53 PolarHBondContact O-N 3.48Å; F50-D53 PolarHBondContact O-N 3.25Å; F51-D53 PolarHBondContact O-N 3.07Å; D53-G57 PolarHBondContact O-N 3.3Å; D53-R506 WeakPolarHBondContact OD1-CD 3.35Å; D53-R506 IonicContact OD1-NH1 3.03Å |
| 54 | L | 91.8 | Very high | 86.3 | Confident | 117 Ų | 117 | 49.6 Ų | 49.6 | 61% | 0.613 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.7 | -48.6 | 175.3 | -179.5 | 67.1 | 0 | 0 | 0 | 111.8 | F50 F51 L52 | F50-L54 HydrophobicContact CE1-CD2 4.5Å; F50-L54 VanDerWaalsContact O-CB 3.26Å; F50-L54 WeakPolarHBondContact O-CB 3.46Å; F50-L54 PolarHBondContact O-N 2.7Å; F51-L54 WeakPolarHBondContact O-CB 3.21Å; F51-L54 PolarHBondContact O-N 3.46Å; L52-L54 VanDerWaalsContact C-N 3.34Å |
| 55 | I | 91.5 | Very high | 85 | Confident | 21 Ų | 21 | 50.7 Ų | 50.7 | 11% | 0.108 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.1 | -31.7 | -177.9 | 64.1 | 172 | 0 | 0 | 0 | 112.4 | F51 L52 G93 Y94 F494 | F51-I55 HydrophobicContact CD2-CG2 4.4Å; F51-I55 HydrophobicContact CE1-CD1 4.18Å; F51-I55 HydrophobicContact CE1-CG2 4.24Å; F51-I55 HydrophobicContact CE2-CG2 3.97Å; F51-I55 HydrophobicContact CZ-CG2 3.89Å; F51-I55 WeakPolarHBondContact O-CG1 3.34Å; F51-I55 WeakPolarHBondContact O-CG2 3.31Å; F51-I55 PolarHBondContact O-N 2.93Å; L52-I55 HydrophobicContact CD2-CD1 4.05Å; L52-I55 WeakPolarHBondContact O-CG1 3.37Å; L52-I55 PolarHBondContact O-N 3.18Å; I55-G93 VanDerWaalsContact O-CA 3.31Å; I55-G93 WeakPolarHBondContact O-CA 3.27Å; I55-Y94 HydrophobicContact CD1-CD1 3.84Å; I55-Y94 HydrophobicContact CD1-CD2 4.1Å; I55-Y94 HydrophobicContact CD1-CE1 3.65Å; I55-Y94 HydrophobicContact CD1-CE2 3.95Å; I55-Y94 HydrophobicContact CD1-CG 4.06Å; I55-Y94 HydrophobicContact CG1-CD2 4.38Å; I55-Y94 HydrophobicContact CG1-CE2 4.16Å; I55-F494 HydrophobicContact CD1-CE2 3.54Å; I55-F494 HydrophobicContact CD1-CZ 3.55Å |
| 56 | R | 89.9 | Confident | 83.7 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -80.7 | -36.5 | -179.2 | -175.3 | 60.3 | 179.3 | 77.3 | 7.1 | 112.5 | L52 K59 T90 Y91 Y94 T502 E503 | L52-R56 WeakPolarHBondContact O-CB 3.5Å; L52-R56 PolarHBondContact O-N 3.48Å; R56-K59 PolarHBondContact NH1-O 2.95Å; R56-T90 PolarHBondContact NH1-O 2.79Å; R56-Y91 VanDerWaalsContact NE-CE1 3.3Å; R56-Y94 HydrophobicContact CB-CE2 4.15Å; R56-T502 HydrophobicContact CB-CG2 3.92Å; R56-T502 HydrophobicContact CG-CG2 4.35Å; R56-E503 WeakPolarHBondContact CD-OE1 3.44Å; R56-E503 IonicContact CZ-OE1 2.9Å; R56-E503 IonicContact CZ-OE2 2.68Å; R56-E503 VanDerWaalsContact NE-CD 3.33Å; R56-E503 IonicContact NE-OE1 3.45Å; R56-E503 PolarHBondContact NE-OE1 2.94Å; R56-E503 IonicContact NE-OE2 3.44Å; R56-E503 PolarHBondContact NE-OE2 3.05Å; R56-E503 IonicContact NH2-OE1 3.91Å; R56-E503 IonicContact NH2-OE2 3.75Å; R56-E503 PolarHBondContact NH2-OE2 3.37Å |
| 57 | G | 84.9 | Confident | 82.4 | Confident | 28 Ų | 28 | 51.6 Ų | 51.6 | 29% | 0.289 | 26% | 0.264 | S | S | . | . | trans | 66.2 | -163.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D53 R506 | D53-G57 PolarHBondContact O-N 3.3Å; G57-R506 PolarHBondContact O-NH1 2.89Å | ||
| 58 | K | 79.6 | Confident | 81.1 | Confident | 171 Ų | 171 | 51.3 Ų | 51.3 | 74% | 0.743 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -107.3 | 5.2 | -170.9 | -61 | -175.8 | 178.9 | -177.4 | 0 | 114.9 | Y512 | K58-Y512 PolarHBondContact O-OH 3.3Š|
| 59 | K | 77.8 | Confident | 79.7 | Confident | 104 Ų | 104 | 52 Ų | 52 | 45% | 0.452 | 27% | 0.267 | S | S | . | . | trans | -70.3 | 136.9 | -177.6 | -73 | -177.2 | 178.8 | 176.2 | 0 | 111.4 | R56 T89 | R56-K59 PolarHBondContact NH1-O 2.95Å; K59-T89 PolarHBondContact NZ-O 3.17Å; K59-T89 PolarHBondContact NZ-OG1 3.45Å | ||
| 60 | P | 71.7 | Confident | 78.2 | Confident | 50 Ų | 50 | 55.7 Ų | 55.7 | 33% | 0.325 | 29% | 0.287 | S | S | . | . | trans | -67.3 | 143.8 | -178.7 | 28.7 | -34.8 | 0 | 0 | 0 | 111.3 | T62 Y522 | P60-T62 PolarHBondContact O-N 3.44Å; P60-Y522 HydrophobicContact CB-CD1 4.39Å; P60-Y522 HydrophobicContact CB-CE1 3.64Å; P60-Y522 HydrophobicContact CB-CE2 4.45Å | ||
| 61 | P | 70.3 | Confident | 76.9 | Confident | 28 Ų | 28 | 51.1 Ų | 51.1 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -14.6 | 177.6 | 29.4 | -34 | 0 | 0 | 0 | 113.3 | A63 V64 F65 Y522 | P61-A63 VanDerWaalsContact C-N 3.28Å; P61-A63 PolarHBondContact O-N 3.07Å; P61-V64 VanDerWaalsContact O-CB 3.26Å; P61-V64 WeakPolarHBondContact O-CB 3.31Å; P61-V64 PolarHBondContact O-N 2.91Å; P61-V64 VanDerWaalsContact O-N 3.07Å; P61-F65 PolarHBondContact O-N 2.85Å; P61-Y522 HydrophobicContact CG-CD2 3.63Å; P61-Y522 HydrophobicContact CG-CE2 4.17Å; P61-Y522 HydrophobicContact CG-CG 4.08Å |
| 62 | T | 70.5 | Confident | 75.4 | Confident | 21 Ų | 21 | 55.7 Ų | 55.7 | 13% | 0.129 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.7 | -39.6 | -178.6 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | P60 V64 F65 E66 Y522 | P60-T62 PolarHBondContact O-N 3.44Å; T62-V64 PolarHBondContact O-N 3.15Å; T62-F65 PolarHBondContact O-N 3.38Å; T62-E66 WeakPolarHBondContact O-CG 3.3Å; T62-E66 PolarHBondContact O-N 3.3Å; T62-Y522 HydrophobicContact CG2-CD1 3.39Å; T62-Y522 HydrophobicContact CG2-CE1 4.31Å; T62-Y522 HydrophobicContact CG2-CG 3.82Å |
| 63 | A | 68.7 | Low | 73.8 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 25% | 0.248 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.3 | -31.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P61 T67 P86 | P61-A63 VanDerWaalsContact C-N 3.28Å; P61-A63 PolarHBondContact O-N 3.07Å; A63-T67 VanDerWaalsContact O-CB 3.29Å; A63-T67 WeakPolarHBondContact O-CB 3.47Å; A63-T67 PolarHBondContact O-N 3.07Å; A63-T67 PolarHBondContact O-OG1 3.25Å; A63-P86 HydrophobicContact CB-CB 3.89Å |
| 64 | V | 69.4 | Low | 72.4 | Confident | 24 Ų | 24 | 59 Ų | 59 | 15% | 0.145 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.4 | -42.7 | 173.6 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | P61 T62 T67 L68 V87 T90 Y91 | P61-V64 VanDerWaalsContact O-CB 3.26Å; P61-V64 WeakPolarHBondContact O-CB 3.31Å; P61-V64 PolarHBondContact O-N 2.91Å; P61-V64 VanDerWaalsContact O-N 3.07Å; T62-V64 PolarHBondContact O-N 3.15Å; V64-T67 WeakPolarHBondContact O-CB 3.14Å; V64-L68 PolarHBondContact O-N 3.4Å; V64-V87 HydrophobicContact CB-CG2 4.33Å; V64-V87 HydrophobicContact CG1-CB 4.35Å; V64-V87 HydrophobicContact CG1-CG1 4.14Å; V64-V87 HydrophobicContact CG1-CG2 3.81Å; V64-T90 HydrophobicContact CG2-CG2 3.53Å; V64-Y91 HydrophobicContact CB-CE2 4.4Å; V64-Y91 HydrophobicContact CG1-CE2 3.84Å; V64-Y91 HydrophobicContact CG2-CD2 4.38Å; V64-Y91 HydrophobicContact CG2-CE2 3.77Å |
| 65 | F | 68.9 | Low | 70.7 | Confident | 32 Ų | 32 | 59.3 Ų | 59.3 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -73 | -47.8 | -175.7 | -161.5 | -93.2 | 0 | 0 | 0 | 112.4 | M2 P61 T62 T67 L68 V69 S526 I530 | M2-F65 HydrophobicContact CE-CE1 4.24Å; M2-F65 HydrophobicContact CE-CZ 3.84Å; P61-F65 PolarHBondContact O-N 2.85Å; T62-F65 PolarHBondContact O-N 3.38Å; F65-T67 PolarHBondContact O-N 3.47Å; F65-L68 PolarHBondContact O-N 2.93Å; F65-V69 HydrophobicContact CD1-CG2 3.7Å; F65-V69 HydrophobicContact CE1-CG2 3.5Å; F65-V69 VanDerWaalsContact CE1-CG2 3.5Å; F65-V69 HydrophobicContact CZ-CG2 4.23Å; F65-V69 WeakPolarHBondContact O-CG2 2.95Å; F65-V69 PolarHBondContact O-N 3.5Å; F65-S526 WeakPolarHBondContact CE1-O 3.48Å; F65-I530 HydrophobicContact CE1-CD1 3.36Å; F65-I530 HydrophobicContact CE1-CG1 3.75Å; F65-I530 HydrophobicContact CZ-CD1 3.31Å; F65-I530 HydrophobicContact CZ-CG1 4.22Å |
| 66 | E | 66.4 | Low | 68.9 | Low | 88 Ų | 88 | 65.7 Ų | 65.7 | 41% | 0.411 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -54.3 | -42.4 | 174 | -73.2 | 173.2 | -166.4 | 0 | 0 | 111.1 | T62 N70 | T62-E66 WeakPolarHBondContact O-CG 3.3Å; T62-E66 PolarHBondContact O-N 3.3Å; E66-N70 VanDerWaalsContact O-CB 3.28Å; E66-N70 WeakPolarHBondContact O-CB 3.06Å; E66-N70 PolarHBondContact O-N 2.82Å; E66-N70 PolarHBondContact O-ND2 3.33Å; E66-N70 VanDerWaalsContact O-ND2 3.13Å |
| 67 | T | 67.3 | Low | 67 | Low | 12 Ų | 12 | 71.5 Ų | 71.5 | 7% | 0.074 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.1 | -51.9 | 172.9 | -67.3 | 0 | 0 | 0 | 0 | 111.6 | A63 V64 F65 V69 N70 I71 S83 P86 V87 | A63-T67 VanDerWaalsContact O-CB 3.29Å; A63-T67 WeakPolarHBondContact O-CB 3.47Å; A63-T67 PolarHBondContact O-N 3.07Å; A63-T67 PolarHBondContact O-OG1 3.25Å; V64-T67 WeakPolarHBondContact O-CB 3.14Å; F65-T67 PolarHBondContact O-N 3.47Å; T67-V69 VanDerWaalsContact C-N 3.33Å; T67-V69 PolarHBondContact O-N 3.48Å; T67-N70 PolarHBondContact O-N 3.49Å; T67-I71 HydrophobicContact CG2-CD1 3.6Å; T67-I71 HydrophobicContact CG2-CG1 4.36Å; T67-I71 WeakPolarHBondContact O-CB 3.42Å; T67-I71 WeakPolarHBondContact O-CG1 3.28Å; T67-I71 PolarHBondContact O-N 3.04Å; T67-S83 WeakPolarHBondContact CG2-O 3.08Å; T67-S83 PolarHBondContact OG1-O 2.81Å; T67-P86 WeakPolarHBondContact OG1-CG 3.07Å; T67-V87 HydrophobicContact CG2-CG2 3.65Å |
| 68 | L | 67.7 | Low | 65.4 | Low | 65 Ų | 65 | 81 Ų | 81 | 34% | 0.34 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | -176.9 | -173.9 | 68.5 | 0 | 0 | 0 | 111.6 | M1 V64 F65 I71 Q72 | M1-L68 HydrophobicContact SD-CD2 3.83Å; V64-L68 PolarHBondContact O-N 3.4Å; F65-L68 PolarHBondContact O-N 2.93Å; L68-I71 PolarHBondContact O-N 2.72Å; L68-Q72 WeakPolarHBondContact O-CB 3.13Å; L68-Q72 PolarHBondContact O-N 2.66Å |
| 69 | V | 65.8 | Low | 64.2 | Low | 15 Ų | 15 | 78 Ų | 78 | 9% | 0.091 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.5 | -48.4 | 176.2 | 175.4 | 0 | 0 | 0 | 0 | 110.2 | F65 T67 I71 Q72 T73 I530 A533 | F65-V69 HydrophobicContact CD1-CG2 3.7Å; F65-V69 HydrophobicContact CE1-CG2 3.5Å; F65-V69 VanDerWaalsContact CE1-CG2 3.5Å; F65-V69 HydrophobicContact CZ-CG2 4.23Å; F65-V69 WeakPolarHBondContact O-CG2 2.95Å; F65-V69 PolarHBondContact O-N 3.5Å; T67-V69 VanDerWaalsContact C-N 3.33Å; T67-V69 PolarHBondContact O-N 3.48Å; V69-I71 VanDerWaalsContact C-N 3.27Å; V69-I71 PolarHBondContact O-N 3.43Å; V69-Q72 PolarHBondContact O-N 3.42Å; V69-Q72 VanDerWaalsContact O-N 3.1Å; V69-T73 HydrophobicContact CG1-CG2 4.29Å; V69-T73 WeakPolarHBondContact O-CG2 3.41Å; V69-T73 PolarHBondContact O-N 2.9Å; V69-T73 PolarHBondContact O-OG1 2.99Å; V69-I530 HydrophobicContact CG1-CG1 4.13Å; V69-I530 HydrophobicContact CG2-CD1 4.05Å; V69-I530 HydrophobicContact CG2-CG1 3.49Å; V69-I530 VanDerWaalsContact CG2-CG1 3.49Å; V69-A533 HydrophobicContact CG1-CB 3.78Å |
| 70 | N | 64.7 | Low | 63.2 | Low | 98 Ų | 98 | 75.8 Ų | 75.8 | 52% | 0.524 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.7 | -38.2 | 177 | -74.3 | -25.5 | 0 | 0 | 0 | 112.2 | E66 T67 S74 | E66-N70 VanDerWaalsContact O-CB 3.28Å; E66-N70 WeakPolarHBondContact O-CB 3.06Å; E66-N70 PolarHBondContact O-N 2.82Å; E66-N70 PolarHBondContact O-ND2 3.33Å; E66-N70 VanDerWaalsContact O-ND2 3.13Å; T67-N70 PolarHBondContact O-N 3.49Å; N70-S74 WeakPolarHBondContact O-CB 3.28Å; N70-S74 PolarHBondContact O-N 2.87Å; N70-S74 PolarHBondContact O-OG 3.3Å |
| 71 | I | 65.9 | Low | 62.6 | Low | 48 Ų | 48 | 82 Ų | 82 | 25% | 0.246 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 174.9 | -70.9 | 168.7 | 0 | 0 | 0 | 110.8 | T67 L68 V69 S74 L79 | T67-I71 HydrophobicContact CG2-CD1 3.6Å; T67-I71 HydrophobicContact CG2-CG1 4.36Å; T67-I71 WeakPolarHBondContact O-CB 3.42Å; T67-I71 WeakPolarHBondContact O-CG1 3.28Å; T67-I71 PolarHBondContact O-N 3.04Å; L68-I71 PolarHBondContact O-N 2.72Å; V69-I71 VanDerWaalsContact C-N 3.27Å; V69-I71 PolarHBondContact O-N 3.43Å; I71-S74 PolarHBondContact O-OG 3.14Å; I71-L79 HydrophobicContact CB-CD1 4.03Å; I71-L79 HydrophobicContact CD1-CD1 3.92Å; I71-L79 HydrophobicContact CG1-CD1 3.6Å; I71-L79 HydrophobicContact CG2-CD1 3.38Å |
| 72 | Q | 64.8 | Low | 62.1 | Low | 161 Ų | 161 | 90.9 Ų | 90.9 | 75% | 0.752 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -68.6 | -37.6 | -178 | -166.3 | 98 | -3.3 | 0 | 0 | 112.3 | L68 V69 | L68-Q72 WeakPolarHBondContact O-CB 3.13Å; L68-Q72 PolarHBondContact O-N 2.66Å; V69-Q72 PolarHBondContact O-N 3.42Å; V69-Q72 VanDerWaalsContact O-N 3.1Å |
| 73 | T | 61.5 | Low | 61.9 | Low | 56 Ų | 56 | 91.3 Ų | 91.3 | 34% | 0.344 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -90.3 | -22.8 | -177 | 60.2 | 0 | 0 | 0 | 0 | 113.5 | V69 H75 A533 | V69-T73 HydrophobicContact CG1-CG2 4.29Å; V69-T73 WeakPolarHBondContact O-CG2 3.41Å; V69-T73 PolarHBondContact O-N 2.9Å; V69-T73 PolarHBondContact O-OG1 2.99Å; T73-H75 PolarHBondContact O-N 3.44Å; T73-A533 HydrophobicContact CG2-CB 3.81Å |
| 74 | S | 60.9 | Low | 62 | Low | 63 Ų | 63 | 92.1 Ų | 92.1 | 44% | 0.441 | 46% | 0.457 | S | S | . | . | trans | -68.9 | 105 | 174.6 | 60.5 | 0 | 0 | 0 | 0 | 110.6 | N70 I71 H76 | N70-S74 WeakPolarHBondContact O-CB 3.28Å; N70-S74 PolarHBondContact O-N 2.87Å; N70-S74 PolarHBondContact O-OG 3.3Å; I71-S74 PolarHBondContact O-OG 3.14Å; S74-H76 PolarHBondContact O-N 3Å; S74-H76 VanDerWaalsContact O-N 3.08Å | ||
| 75 | H | 56.7 | Low | 62.4 | Low | 124 Ų | 124 | 95.1 Ų | 95.1 | 57% | 0.574 | 47% | 0.47 | S | S | * | . | trans | -60.6 | -14.3 | 170.4 | -88.5 | -72.7 | 0 | 0 | 0 | 113.4 | T73 S77 | T73-H75 PolarHBondContact O-N 3.44Å; H75-S77 PolarHBondContact O-N 3.35Å | ||
| 76 | H | 52.9 | Low | 62.6 | Low | 154 Ų | 154 | 95.3 Ų | 95.3 | 71% | 0.713 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -85.2 | 104.6 | -175.3 | -69.2 | 29.3 | 0 | 0 | 0 | 108.8 | S74 R78 | S74-H76 PolarHBondContact O-N 3Å; S74-H76 VanDerWaalsContact O-N 3.08Å; H76-R78 PolarHBondContact O-N 3.46Å |
| 77 | S | 49.8 | Very low | 63 | Low | 129 Ų | 129 | 93.2 Ų | 93.2 | 90% | 0.902 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -53.7 | 5.4 | -179.2 | 53 | 0 | 0 | 0 | 0 | 116.9 | H75 L79 | H75-S77 PolarHBondContact O-N 3.35Å; S77-L79 PolarHBondContact O-N 2.91Å |
| 78 | R | 52.5 | Low | 63.5 | Low | 228 Ų | 228 | 96.2 Ų | 96.2 | 86% | 0.86 | 49% | 0.485 | S | S | * | . | trans | -93.4 | 88.6 | 169.4 | -109.4 | 179.5 | 172.9 | 165.1 | -1.2 | 109.3 | H76 A80 | H76-R78 PolarHBondContact O-N 3.46Å; R78-A80 PolarHBondContact O-N 3.49Å | ||
| 79 | L | 53.3 | Low | 64.1 | Low | 109 Ų | 109 | 95.5 Ų | 95.5 | 57% | 0.571 | 48% | 0.484 | S | S | * | . | trans | -60 | 85.1 | 159 | -150.5 | 79.8 | 0 | 0 | 0 | 107.9 | I71 S77 V84 | I71-L79 HydrophobicContact CB-CD1 4.03Å; I71-L79 HydrophobicContact CD1-CD1 3.92Å; I71-L79 HydrophobicContact CG1-CD1 3.6Å; I71-L79 HydrophobicContact CG2-CD1 3.38Å; S77-L79 PolarHBondContact O-N 2.91Å; L79-V84 HydrophobicContact CD2-CG2 4Å; L79-V84 HydrophobicContact CG-CG2 4.31Å | ||
| 80 | A | 57.7 | Low | 64.9 | Low | 56 Ų | 56 | 95 Ų | 95 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | trans | -65 | 138.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | R78 R82 S83 | R78-A80 PolarHBondContact O-N 3.49Å; A80-R82 PolarHBondContact O-N 2.96Å; A80-S83 WeakPolarHBondContact O-CB 3.43Å; A80-S83 PolarHBondContact O-N 2.93Å; A80-S83 PolarHBondContact O-OG 3.36Å | ||
| 81 | Y | 59.6 | Low | 66 | Low | 182 Ų | 182 | 93.4 Ų | 93.4 | 71% | 0.714 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -45.8 | -37 | 174.7 | 168.9 | -95.8 | 0 | 0 | 0 | 113 | S83 V84 E85 | Y81-S83 PolarHBondContact O-N 3.4Å; Y81-S83 VanDerWaalsContact O-N 3.14Å; Y81-V84 PolarHBondContact O-N 2.99Å; Y81-E85 PolarHBondContact O-N 3.49Å |
| 82 | R | 60.2 | Low | 67.1 | Low | 214 Ų | 214 | 95.6 Ų | 95.6 | 81% | 0.808 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -57.2 | -25.5 | 176.5 | -159.2 | 179.5 | -123.9 | 164.8 | -0.2 | 114 | A80 | A80-R82 PolarHBondContact O-N 2.96Å |
| 83 | S | 65.5 | Low | 68.3 | Low | 29 Ų | 29 | 88.6 Ų | 88.6 | 20% | 0.203 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -69.9 | -45.2 | 173.1 | 64.6 | 0 | 0 | 0 | 0 | 110.9 | T67 A80 Y81 P86 | T67-S83 WeakPolarHBondContact CG2-O 3.08Å; T67-S83 PolarHBondContact OG1-O 2.81Å; A80-S83 WeakPolarHBondContact O-CB 3.43Å; A80-S83 PolarHBondContact O-N 2.93Å; A80-S83 PolarHBondContact O-OG 3.36Å; Y81-S83 PolarHBondContact O-N 3.4Å; Y81-S83 VanDerWaalsContact O-N 3.14Å; S83-P86 WeakPolarHBondContact O-CD 3.45Å |
| 84 | V | 70.5 | Confident | 69.8 | Low | 48 Ų | 48 | 86.4 Ų | 86.4 | 29% | 0.291 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -84.1 | -16.1 | -170.5 | -163.6 | 0 | 0 | 0 | 0 | 113.4 | L79 Y81 V87 V88 | L79-V84 HydrophobicContact CD2-CG2 4Å; L79-V84 HydrophobicContact CG-CG2 4.31Å; Y81-V84 PolarHBondContact O-N 2.99Å; V84-V87 WeakPolarHBondContact O-CB 3.23Å; V84-V87 PolarHBondContact O-N 3.42Å; V84-V87 VanDerWaalsContact O-N 3.1Å; V84-V88 HydrophobicContact CG1-CG2 3.93Å; V84-V88 PolarHBondContact O-N 2.85Å |
| 85 | E | 77.5 | Confident | 71.2 | Confident | 87 Ų | 87 | 85 Ų | 85 | 41% | 0.407 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -50.7 | -45.8 | -179 | -178.9 | -177.7 | 173.3 | 0 | 0 | 114.4 | Y81 V87 V88 T89 | Y81-E85 PolarHBondContact O-N 3.49Å; E85-V87 VanDerWaalsContact C-N 3.32Å; E85-V87 PolarHBondContact O-N 3.26Å; E85-V88 PolarHBondContact O-N 3.25Å; E85-T89 HydrophobicContact CG-CG2 4.06Å; E85-T89 WeakPolarHBondContact O-CB 3.36Å; E85-T89 WeakPolarHBondContact O-CG2 3.21Å; E85-T89 PolarHBondContact O-N 2.64Å; E85-T89 PolarHBondContact O-OG1 2.99Å |
| 86 | P | 74 | Confident | 73 | Confident | 35 Ų | 35 | 82.8 Ų | 82.8 | 23% | 0.227 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.2 | -36.7 | 179.1 | -21.5 | 35.6 | 0 | 0 | 0 | 112.7 | A63 T67 S83 T89 T90 | A63-P86 HydrophobicContact CB-CB 3.89Å; T67-P86 WeakPolarHBondContact OG1-CG 3.07Å; S83-P86 WeakPolarHBondContact O-CD 3.45Å; P86-T89 PolarHBondContact O-OG1 3.42Å; P86-T90 WeakPolarHBondContact O-CB 3.43Å; P86-T90 PolarHBondContact O-N 3.17Å; P86-T90 VanDerWaalsContact O-N 3.13Å; P86-T90 PolarHBondContact O-OG1 3.47Å |
| 87 | V | 74.5 | Confident | 75 | Confident | 44 Ų | 44 | 77 Ų | 77 | 27% | 0.267 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65 | -51.2 | 177.5 | 179.4 | 0 | 0 | 0 | 0 | 110.1 | V64 T67 V84 E85 T89 T90 Y91 | V64-V87 HydrophobicContact CB-CG2 4.33Å; V64-V87 HydrophobicContact CG1-CB 4.35Å; V64-V87 HydrophobicContact CG1-CG1 4.14Å; V64-V87 HydrophobicContact CG1-CG2 3.81Å; T67-V87 HydrophobicContact CG2-CG2 3.65Å; V84-V87 WeakPolarHBondContact O-CB 3.23Å; V84-V87 PolarHBondContact O-N 3.42Å; V84-V87 VanDerWaalsContact O-N 3.1Å; E85-V87 VanDerWaalsContact C-N 3.32Å; E85-V87 PolarHBondContact O-N 3.26Å; V87-T89 VanDerWaalsContact C-N 3.34Å; V87-T89 PolarHBondContact O-N 2.79Å; V87-T90 PolarHBondContact O-N 3.04Å; V87-Y91 HydrophobicContact CG1-CD2 4.44Å; V87-Y91 PolarHBondContact O-N 2.98Å; V87-Y91 VanDerWaalsContact O-N 3.08Å |
| 88 | V | 77.9 | Confident | 77.1 | Confident | 75 Ų | 75 | 73.4 Ų | 73.4 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62 | -44 | -178.6 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | V84 E85 T90 L92 | V84-V88 HydrophobicContact CG1-CG2 3.93Å; V84-V88 PolarHBondContact O-N 2.85Å; E85-V88 PolarHBondContact O-N 3.25Å; V88-T90 PolarHBondContact O-N 3.38Å; V88-L92 HydrophobicContact CG1-CD1 4.5Å; V88-L92 VanDerWaalsContact O-CA 3.25Å; V88-L92 WeakPolarHBondContact O-CA 3.41Å; V88-L92 VanDerWaalsContact O-CB 3.29Å; V88-L92 WeakPolarHBondContact O-CB 3.45Å; V88-L92 PolarHBondContact O-N 2.85Å |
| 89 | T | 80.7 | Confident | 79.2 | Confident | 51 Ų | 51 | 66.5 Ų | 66.5 | 31% | 0.313 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -75.1 | -14.1 | -177.7 | 64.6 | 0 | 0 | 0 | 0 | 113.7 | K59 E85 P86 V87 | K59-T89 PolarHBondContact NZ-O 3.17Å; K59-T89 PolarHBondContact NZ-OG1 3.45Å; E85-T89 HydrophobicContact CG-CG2 4.06Å; E85-T89 WeakPolarHBondContact O-CB 3.36Å; E85-T89 WeakPolarHBondContact O-CG2 3.21Å; E85-T89 PolarHBondContact O-N 2.64Å; E85-T89 PolarHBondContact O-OG1 2.99Å; P86-T89 PolarHBondContact O-OG1 3.42Å; V87-T89 VanDerWaalsContact C-N 3.34Å; V87-T89 PolarHBondContact O-N 2.79Å |
| 90 | T | 82.6 | Confident | 81.1 | Confident | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -91.4 | -38.5 | 179.3 | -63.9 | 0 | 0 | 0 | 0 | 111.5 | R56 V64 P86 V87 V88 | R56-T90 PolarHBondContact NH1-O 2.79Å; V64-T90 HydrophobicContact CG2-CG2 3.53Å; P86-T90 WeakPolarHBondContact O-CB 3.43Å; P86-T90 PolarHBondContact O-N 3.17Å; P86-T90 VanDerWaalsContact O-N 3.13Å; P86-T90 PolarHBondContact O-OG1 3.47Å; V87-T90 PolarHBondContact O-N 3.04Å; V88-T90 PolarHBondContact O-N 3.38Å |
| 91 | Y | 87.2 | Confident | 82.9 | Confident | 64 Ų | 64 | 65.7 Ų | 65.7 | 25% | 0.251 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -104.7 | 20.8 | 176.4 | -63.3 | -72 | 0 | 0 | 0 | 113.6 | R56 V64 V87 G93 Y94 G95 E503 | R56-Y91 VanDerWaalsContact NE-CE1 3.3Å; V64-Y91 HydrophobicContact CB-CE2 4.4Å; V64-Y91 HydrophobicContact CG1-CE2 3.84Å; V64-Y91 HydrophobicContact CG2-CD2 4.38Å; V64-Y91 HydrophobicContact CG2-CE2 3.77Å; V87-Y91 HydrophobicContact CG1-CD2 4.44Å; V87-Y91 PolarHBondContact O-N 2.98Å; V87-Y91 VanDerWaalsContact O-N 3.08Å; Y91-G93 VanDerWaalsContact C-N 3.29Å; Y91-G93 PolarHBondContact O-N 3.49Å; Y91-Y94 HydrophobicContact CD1-CD2 4.11Å; Y91-Y94 PolarHBondContact O-N 3.26Å; Y91-Y94 VanDerWaalsContact O-N 3.16Å; Y91-G95 PolarHBondContact O-N 3.23Å; Y91-E503 HydrophobicContact CE1-CG 4.32Å; Y91-E503 PolarHBondContact OH-OE2 3.34Å |
| 92 | L | 88.3 | Confident | 84.7 | Confident | 94 Ų | 94 | 61.1 Ų | 61.1 | 49% | 0.492 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55.4 | -43.5 | -175.3 | -174.8 | 62.4 | 0 | 0 | 0 | 112.1 | V88 G95 I96 | V88-L92 HydrophobicContact CG1-CD1 4.5Å; V88-L92 VanDerWaalsContact O-CA 3.25Å; V88-L92 WeakPolarHBondContact O-CA 3.41Å; V88-L92 VanDerWaalsContact O-CB 3.29Å; V88-L92 WeakPolarHBondContact O-CB 3.45Å; V88-L92 PolarHBondContact O-N 2.85Å; L92-G95 PolarHBondContact O-N 2.79Å; L92-I96 HydrophobicContact CD1-CD1 4.25Å; L92-I96 HydrophobicContact CD1-CG1 4.4Å; L92-I96 HydrophobicContact CD2-CD1 4.45Å; L92-I96 HydrophobicContact CG-CD1 3.85Å; L92-I96 HydrophobicContact CG-CG1 4.41Å; L92-I96 WeakPolarHBondContact O-CB 3.38Å; L92-I96 VanDerWaalsContact O-CG1 3.26Å; L92-I96 WeakPolarHBondContact O-CG1 3.2Å; L92-I96 PolarHBondContact O-N 2.68Å |
| 93 | G | 91 | Very high | 86.5 | Confident | 13 Ų | 13 | 54.3 Ų | 54.3 | 13% | 0.134 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I55 Y91 G95 I96 C97 | I55-G93 VanDerWaalsContact O-CA 3.31Å; I55-G93 WeakPolarHBondContact O-CA 3.27Å; Y91-G93 VanDerWaalsContact C-N 3.29Å; Y91-G93 PolarHBondContact O-N 3.49Å; G93-G95 VanDerWaalsContact C-N 3.34Å; G93-G95 PolarHBondContact O-N 2.88Å; G93-I96 PolarHBondContact O-N 2.79Å; G93-C97 PolarHBondContact O-N 3.19Å; G93-C97 PolarHBondContact O-SG 2.78Å |
| 94 | Y | 92.9 | Very high | 87.9 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 4% | 0.039 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 172.6 | -80.8 | -80.9 | 0 | 0 | 0 | 112 | L52 I55 R56 Y91 C97 L98 F494 G498 T499 T502 | L52-Y94 HydrophobicContact CD2-CE1 4.36Å; I55-Y94 HydrophobicContact CD1-CD1 3.84Å; I55-Y94 HydrophobicContact CD1-CD2 4.1Å; I55-Y94 HydrophobicContact CD1-CE1 3.65Å; I55-Y94 HydrophobicContact CD1-CE2 3.95Å; I55-Y94 HydrophobicContact CD1-CG 4.06Å; I55-Y94 HydrophobicContact CG1-CD2 4.38Å; I55-Y94 HydrophobicContact CG1-CE2 4.16Å; R56-Y94 HydrophobicContact CB-CE2 4.15Å; Y91-Y94 HydrophobicContact CD1-CD2 4.11Å; Y91-Y94 PolarHBondContact O-N 3.26Å; Y91-Y94 VanDerWaalsContact O-N 3.16Å; Y94-C97 PolarHBondContact O-N 3.45Å; Y94-L98 WeakPolarHBondContact O-CB 3.24Å; Y94-L98 PolarHBondContact O-N 3.34Å; Y94-F494 AromaticContact CD1-CE1 3.76Å; Y94-F494 HydrophobicContact CD1-CE1 3.76Å; Y94-F494 HydrophobicContact CD1-CE2 4.04Å; Y94-F494 AromaticContact CD1-CZ 3.39Å; Y94-F494 HydrophobicContact CD1-CZ 3.39Å; Y94-F494 HydrophobicContact CE1-CE1 4.3Å; Y94-F494 AromaticContact CE1-CE2 3.84Å; Y94-F494 HydrophobicContact CE1-CE2 3.84Å; Y94-F494 AromaticContact CE1-CZ 3.69Å; Y94-F494 HydrophobicContact CE1-CZ 3.69Å; Y94-F494 HydrophobicContact CG-CZ 4.36Å; Y94-G498 WeakPolarHBondContact OH-CA 3.28Å; Y94-G498 PolarHBondContact OH-O 3Å; Y94-T499 HydrophobicContact CD1-CG2 4.44Å; Y94-T499 HydrophobicContact CE1-CG2 4.12Å; Y94-T499 PolarHBondContact OH-N 2.66Å; Y94-T502 HydrophobicContact CE2-CG2 4.45Å; Y94-T502 WeakPolarHBondContact OH-CG2 3.41Å; Y94-T502 PolarHBondContact OH-OG1 3.06Å; Y94-T502 VanDerWaalsContact OH-OG1 3.1Å |
| 95 | G | 91 | Very high | 89.1 | Confident | 34 Ų | 34 | 52.4 Ų | 52.4 | 35% | 0.351 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y91 L92 G93 L98 V99 | Y91-G95 PolarHBondContact O-N 3.23Å; L92-G95 PolarHBondContact O-N 2.79Å; G93-G95 VanDerWaalsContact C-N 3.34Å; G93-G95 PolarHBondContact O-N 2.88Å; G95-L98 PolarHBondContact O-N 3.22Å; G95-V99 VanDerWaalsContact O-CG2 3.31Å; G95-V99 WeakPolarHBondContact O-CG2 3.32Å; G95-V99 PolarHBondContact O-N 3.18Å |
| 96 | I | 93.3 | Very high | 89.9 | Confident | 78 Ų | 78 | 53 Ų | 53 | 40% | 0.4 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61 | -49.3 | 175.7 | -71.1 | 168.5 | 0 | 0 | 0 | 110.5 | L92 G93 L98 V99 F100 | L92-I96 HydrophobicContact CD1-CD1 4.25Å; L92-I96 HydrophobicContact CD1-CG1 4.4Å; L92-I96 HydrophobicContact CD2-CD1 4.45Å; L92-I96 HydrophobicContact CG-CD1 3.85Å; L92-I96 HydrophobicContact CG-CG1 4.41Å; L92-I96 WeakPolarHBondContact O-CB 3.38Å; L92-I96 VanDerWaalsContact O-CG1 3.26Å; L92-I96 WeakPolarHBondContact O-CG1 3.2Å; L92-I96 PolarHBondContact O-N 2.68Å; G93-I96 PolarHBondContact O-N 2.79Å; I96-L98 VanDerWaalsContact C-N 3.33Å; I96-L98 PolarHBondContact O-N 3.26Å; I96-V99 PolarHBondContact O-N 3Å; I96-F100 HydrophobicContact CG2-CD2 3.51Å; I96-F100 HydrophobicContact CG2-CE2 3.5Å; I96-F100 VanDerWaalsContact CG2-CE2 3.5Å; I96-F100 VanDerWaalsContact O-CD2 3.24Å; I96-F100 WeakPolarHBondContact O-CD2 3.39Å; I96-F100 PolarHBondContact O-N 2.74Å |
| 97 | C | 94.3 | Very high | 90.9 | Very high | 33 Ų | 33 | 56.8 Ų | 56.8 | 22% | 0.223 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 178 | -69.9 | 0 | 0 | 0 | 0 | 112.3 | G93 Y94 F100 G101 F494 | G93-C97 PolarHBondContact O-N 3.19Å; G93-C97 PolarHBondContact O-SG 2.78Å; Y94-C97 PolarHBondContact O-N 3.45Å; C97-F100 PolarHBondContact O-N 3.42Å; C97-G101 PolarHBondContact O-N 3.02Å; C97-F494 HydrophobicContact CB-CE1 3.77Å; C97-F494 HydrophobicContact CB-CZ 3.66Å |
| 98 | L | 94.9 | Very high | 91.8 | Very high | 53 Ų | 53 | 55.4 Ų | 55.4 | 28% | 0.277 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 176.9 | -178.4 | 61.5 | 0 | 0 | 0 | 111.6 | Y94 G95 I96 G101 L102 I491 L495 | Y94-L98 WeakPolarHBondContact O-CB 3.24Å; Y94-L98 PolarHBondContact O-N 3.34Å; G95-L98 PolarHBondContact O-N 3.22Å; I96-L98 VanDerWaalsContact C-N 3.33Å; I96-L98 PolarHBondContact O-N 3.26Å; L98-G101 PolarHBondContact O-N 3.47Å; L98-L102 HydrophobicContact CD1-CD1 4.26Å; L98-L102 HydrophobicContact CD1-CG 4.3Å; L98-L102 HydrophobicContact CG-CD1 4.14Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L98-L102 WeakPolarHBondContact O-CG 3.43Å; L98-L102 PolarHBondContact O-N 3.44Å; L98-I491 HydrophobicContact CD1-CG2 3.62Å; L98-L495 HydrophobicContact CD1-CD1 4.05Å |
| 99 | V | 95.9 | Very high | 92.5 | Very high | 83 Ų | 83 | 53.7 Ų | 53.7 | 50% | 0.503 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.5 | -46.9 | 177.3 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | G95 I96 G101 L102 L103 | G95-V99 VanDerWaalsContact O-CG2 3.31Å; G95-V99 WeakPolarHBondContact O-CG2 3.32Å; G95-V99 PolarHBondContact O-N 3.18Å; I96-V99 PolarHBondContact O-N 3Å; V99-G101 VanDerWaalsContact C-N 3.33Å; V99-G101 PolarHBondContact O-N 3.31Å; V99-L102 PolarHBondContact O-N 3.1Å; V99-L103 HydrophobicContact CG1-CD1 3.75Å; V99-L103 HydrophobicContact CG1-CG 4.17Å; V99-L103 WeakPolarHBondContact O-CB 3.33Å; V99-L103 WeakPolarHBondContact O-CG 3.43Å; V99-L103 PolarHBondContact O-N 3.34Å |
| 100 | F | 94.9 | Very high | 93.1 | Very high | 141 Ų | 141 | 55.5 Ų | 55.5 | 62% | 0.618 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.7 | -40.4 | 176.1 | -83.1 | -64.9 | 0 | 0 | 0 | 112.6 | I96 C97 L103 F104 | I96-F100 HydrophobicContact CG2-CD2 3.51Å; I96-F100 HydrophobicContact CG2-CE2 3.5Å; I96-F100 VanDerWaalsContact CG2-CE2 3.5Å; I96-F100 VanDerWaalsContact O-CD2 3.24Å; I96-F100 WeakPolarHBondContact O-CD2 3.39Å; I96-F100 PolarHBondContact O-N 2.74Å; C97-F100 PolarHBondContact O-N 3.42Å; F100-L103 PolarHBondContact O-N 2.89Å; F100-F104 VanDerWaalsContact O-CB 3.26Å; F100-F104 WeakPolarHBondContact O-CB 3.49Å; F100-F104 PolarHBondContact O-N 3.02Å |
| 101 | G | 95.5 | Very high | 93.6 | Very high | 6 Ų | 6 | 59 Ų | 59 | 6% | 0.062 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | C97 L98 V99 F104 A105 M487 | C97-G101 PolarHBondContact O-N 3.02Å; L98-G101 PolarHBondContact O-N 3.47Å; V99-G101 VanDerWaalsContact C-N 3.33Å; V99-G101 PolarHBondContact O-N 3.31Å; G101-F104 PolarHBondContact O-N 3.48Å; G101-A105 WeakPolarHBondContact O-CB 3.3Å; G101-A105 PolarHBondContact O-N 3.4Å; G101-M487 WeakPolarHBondContact O-CG 3.41Å |
| 102 | L | 97 | Very high | 93.8 | Very high | 86 Ų | 86 | 56 Ų | 56 | 45% | 0.45 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 176.8 | -70.5 | 174 | 0 | 0 | 0 | 112 | L98 V99 F104 A105 I106 I491 | L98-L102 HydrophobicContact CD1-CD1 4.26Å; L98-L102 HydrophobicContact CD1-CG 4.3Å; L98-L102 HydrophobicContact CG-CD1 4.14Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L98-L102 WeakPolarHBondContact O-CG 3.43Å; L98-L102 PolarHBondContact O-N 3.44Å; V99-L102 PolarHBondContact O-N 3.1Å; L102-F104 VanDerWaalsContact C-N 3.31Å; L102-F104 PolarHBondContact O-N 2.86Å; L102-A105 PolarHBondContact O-N 3.09Å; L102-I106 WeakPolarHBondContact O-CB 3.49Å; L102-I106 VanDerWaalsContact O-CG1 3.31Å; L102-I106 WeakPolarHBondContact O-CG1 3.19Å; L102-I106 PolarHBondContact O-N 3.19Å; L102-I491 HydrophobicContact CD2-CD1 4.35Å |
| 103 | L | 96.4 | Very high | 93.9 | Very high | 72 Ų | 72 | 56.5 Ų | 56.5 | 38% | 0.377 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 175.3 | -71.2 | 176.5 | 0 | 0 | 0 | 110.8 | V99 F100 I106 F107 | V99-L103 HydrophobicContact CG1-CD1 3.75Å; V99-L103 HydrophobicContact CG1-CG 4.17Å; V99-L103 WeakPolarHBondContact O-CB 3.33Å; V99-L103 WeakPolarHBondContact O-CG 3.43Å; V99-L103 PolarHBondContact O-N 3.34Å; F100-L103 PolarHBondContact O-N 2.89Å; L103-I106 PolarHBondContact O-N 3.44Å; L103-F107 HydrophobicContact CB-CD2 3.95Å; L103-F107 HydrophobicContact CB-CE2 4.15Å; L103-F107 HydrophobicContact CD2-CD2 4.1Å; L103-F107 HydrophobicContact CD2-CE2 3.48Å; L103-F107 VanDerWaalsContact CD2-CE2 3.48Å; L103-F107 HydrophobicContact CD2-CZ 4.36Å; L103-F107 HydrophobicContact CG-CE2 4.27Å; L103-F107 VanDerWaalsContact O-CB 3.22Å; L103-F107 WeakPolarHBondContact O-CB 3.06Å; L103-F107 WeakPolarHBondContact O-CD2 3.16Å; L103-F107 PolarHBondContact O-N 2.92Å |
| 104 | F | 96 | Very high | 93.8 | Very high | 25 Ų | 25 | 60.7 Ų | 60.7 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 174 | -178.2 | -83.1 | 0 | 0 | 0 | 111.3 | F100 G101 L102 I106 M108 M487 L791 I795 | F100-F104 VanDerWaalsContact O-CB 3.26Å; F100-F104 WeakPolarHBondContact O-CB 3.49Å; F100-F104 PolarHBondContact O-N 3.02Å; G101-F104 PolarHBondContact O-N 3.48Å; L102-F104 VanDerWaalsContact C-N 3.31Å; L102-F104 PolarHBondContact O-N 2.86Å; F104-I106 VanDerWaalsContact C-N 3.25Å; F104-I106 PolarHBondContact O-N 3.48Å; F104-M108 HydrophobicContact CD1-CG 3.89Å; F104-M108 HydrophobicContact CD2-CG 3.86Å; F104-M108 HydrophobicContact CD2-SD 4.46Å; F104-M108 HydrophobicContact CE1-CE 4.35Å; F104-M108 HydrophobicContact CE1-CG 3.81Å; F104-M108 HydrophobicContact CE2-CE 4.03Å; F104-M108 HydrophobicContact CE2-CG 3.77Å; F104-M108 HydrophobicContact CE2-SD 3.97Å; F104-M108 HydrophobicContact CG-CG 3.93Å; F104-M108 HydrophobicContact CZ-CE 3.68Å; F104-M108 HydrophobicContact CZ-CG 3.76Å; F104-M108 HydrophobicContact CZ-SD 4.14Å; F104-M108 VanDerWaalsContact O-CB 3.22Å; F104-M108 WeakPolarHBondContact O-CB 3.09Å; F104-M108 WeakPolarHBondContact O-CG 3.17Å; F104-M108 PolarHBondContact O-N 3.47Å; F104-M487 HydrophobicContact CB-CE 4.02Å; F104-M487 HydrophobicContact CD1-CB 4.01Å; F104-M487 HydrophobicContact CD1-CE 3.24Å; F104-M487 HydrophobicContact CD1-CG 3.97Å; F104-M487 HydrophobicContact CD1-SD 4.44Å; F104-M487 HydrophobicContact CD2-CE 4.25Å; F104-M487 HydrophobicContact CE1-CB 4.34Å; F104-M487 HydrophobicContact CE1-CE 3.61Å; F104-M487 HydrophobicContact CG-CE 3.6Å; F104-M487 HydrophobicContact CZ-CE 4.25Å; F104-L791 HydrophobicContact CE1-CB 4.27Å; F104-L791 HydrophobicContact CE1-CD2 4.3Å; F104-L791 HydrophobicContact CZ-CB 4.04Å; F104-L791 HydrophobicContact CZ-CD2 4.46Å; F104-L791 WeakPolarHBondContact CZ-O 3.27Å; F104-I795 HydrophobicContact CD2-CD1 4.22Å; F104-I795 HydrophobicContact CE2-CD1 4.08Å; F104-I795 HydrophobicContact CE2-CG1 4.07Å |
| 105 | A | 95.1 | Very high | 93.6 | Very high | 12 Ų | 12 | 61.4 Ų | 61.4 | 10% | 0.099 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.8 | -31 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G101 L102 P109 T484 M487 | G101-A105 WeakPolarHBondContact O-CB 3.3Å; G101-A105 PolarHBondContact O-N 3.4Å; L102-A105 PolarHBondContact O-N 3.09Å; A105-P109 WeakPolarHBondContact O-CD 3.36Å; A105-P109 WeakPolarHBondContact O-CG 3.49Å; A105-T484 HydrophobicContact CB-CG2 4.27Å; A105-T484 PolarHBondContact O-OG1 2.9Å; A105-M487 HydrophobicContact CB-CB 4.21Å; A105-M487 HydrophobicContact CB-CG 4.06Å |
| 106 | I | 94.7 | Very high | 93.3 | Very high | 99 Ų | 99 | 64.3 Ų | 64.3 | 51% | 0.508 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -88.1 | -47.9 | 178.2 | -65.2 | 167.1 | 0 | 0 | 0 | 111.6 | L102 L103 F104 P109 L110 | L102-I106 WeakPolarHBondContact O-CB 3.49Å; L102-I106 VanDerWaalsContact O-CG1 3.31Å; L102-I106 WeakPolarHBondContact O-CG1 3.19Å; L102-I106 PolarHBondContact O-N 3.19Å; L103-I106 PolarHBondContact O-N 3.44Å; F104-I106 VanDerWaalsContact C-N 3.25Å; F104-I106 PolarHBondContact O-N 3.48Å; I106-P109 WeakPolarHBondContact O-CD 3.39Å; I106-P109 VanDerWaalsContact O-CG 3.32Å; I106-P109 WeakPolarHBondContact O-CG 3.24Å; I106-L110 HydrophobicContact CG2-CD1 3.81Å; I106-L110 VanDerWaalsContact O-CG 3.28Å; I106-L110 WeakPolarHBondContact O-CG 3.48Å; I106-L110 PolarHBondContact O-N 3.31Å |
| 107 | F | 94.6 | Very high | 92.9 | Very high | 114 Ų | 114 | 64 Ų | 64 | 50% | 0.5 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -74.6 | -34.8 | -174 | -75.7 | -58.2 | 0 | 0 | 0 | 113.1 | L103 L110 V111 | L103-F107 HydrophobicContact CB-CD2 3.95Å; L103-F107 HydrophobicContact CB-CE2 4.15Å; L103-F107 HydrophobicContact CD2-CD2 4.1Å; L103-F107 HydrophobicContact CD2-CE2 3.48Å; L103-F107 VanDerWaalsContact CD2-CE2 3.48Å; L103-F107 HydrophobicContact CD2-CZ 4.36Å; L103-F107 HydrophobicContact CG-CE2 4.27Å; L103-F107 VanDerWaalsContact O-CB 3.22Å; L103-F107 WeakPolarHBondContact O-CB 3.06Å; L103-F107 WeakPolarHBondContact O-CD2 3.16Å; L103-F107 PolarHBondContact O-N 2.92Å; F107-L110 HydrophobicContact CD1-CD1 4.47Å; F107-L110 PolarHBondContact O-N 3.33Å; F107-V111 VanDerWaalsContact O-CB 3.3Å; F107-V111 WeakPolarHBondContact O-CB 3.19Å; F107-V111 VanDerWaalsContact O-CG2 3.23Å; F107-V111 WeakPolarHBondContact O-CG2 3.39Å; F107-V111 PolarHBondContact O-N 3.03Å |
| 108 | M | 94.2 | Very high | 92.4 | Very high | 16 Ų | 16 | 63.3 Ų | 63.3 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.1 | -51.7 | 179.4 | -75.8 | -75.1 | -80.2 | 0 | 0 | 112.9 | F104 G112 F480 S483 F794 I795 I798 | F104-M108 HydrophobicContact CD1-CG 3.89Å; F104-M108 HydrophobicContact CD2-CG 3.86Å; F104-M108 HydrophobicContact CD2-SD 4.46Å; F104-M108 HydrophobicContact CE1-CE 4.35Å; F104-M108 HydrophobicContact CE1-CG 3.81Å; F104-M108 HydrophobicContact CE2-CE 4.03Å; F104-M108 HydrophobicContact CE2-CG 3.77Å; F104-M108 HydrophobicContact CE2-SD 3.97Å; F104-M108 HydrophobicContact CG-CG 3.93Å; F104-M108 HydrophobicContact CZ-CE 3.68Å; F104-M108 HydrophobicContact CZ-CG 3.76Å; F104-M108 HydrophobicContact CZ-SD 4.14Å; F104-M108 VanDerWaalsContact O-CB 3.22Å; F104-M108 WeakPolarHBondContact O-CB 3.09Å; F104-M108 WeakPolarHBondContact O-CG 3.17Å; F104-M108 PolarHBondContact O-N 3.47Å; M108-G112 PolarHBondContact O-N 3.01Å; M108-F480 HydrophobicContact CE-CD1 4.27Å; M108-F480 HydrophobicContact CE-CE1 4.45Å; M108-F480 WeakPolarHBondContact O-CD1 3.37Å; M108-F480 HydrophobicContact SD-CD1 4.38Å; M108-F480 HydrophobicContact SD-CE1 4.23Å; M108-S483 WeakPolarHBondContact CB-OG 3.49Å; M108-F794 HydrophobicContact CE-CB 4.02Å; M108-F794 HydrophobicContact CE-CD2 4.33Å; M108-I795 HydrophobicContact SD-CG1 4.35Å; M108-I798 HydrophobicContact CE-CD1 3.64Å; M108-I798 HydrophobicContact SD-CD1 4.41Å |
| 109 | P | 92.1 | Very high | 91.6 | Very high | 38 Ų | 38 | 63 Ų | 63 | 25% | 0.247 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.9 | -35.4 | 176.7 | 27 | -36.4 | 0 | 0 | 0 | 112.9 | A105 I106 G112 I113 T484 | A105-P109 WeakPolarHBondContact O-CD 3.36Å; A105-P109 WeakPolarHBondContact O-CG 3.49Å; I106-P109 WeakPolarHBondContact O-CD 3.39Å; I106-P109 VanDerWaalsContact O-CG 3.32Å; I106-P109 WeakPolarHBondContact O-CG 3.24Å; P109-G112 CarbonylContact O-C 3.42Å; P109-G112 WeakPolarHBondContact O-CA 3.48Å; P109-G112 PolarHBondContact O-N 3.29Å; P109-I113 WeakPolarHBondContact O-CG1 3.43Å; P109-I113 PolarHBondContact O-N 3Å; P109-T484 WeakPolarHBondContact CG-OG1 3.45Å |
| 110 | L | 93.2 | Very high | 90.8 | Very high | 89 Ų | 89 | 64.5 Ų | 64.5 | 47% | 0.466 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 176.7 | -70.5 | 175.8 | 0 | 0 | 0 | 112 | I106 F107 G112 I113 V114 | I106-L110 HydrophobicContact CG2-CD1 3.81Å; I106-L110 VanDerWaalsContact O-CG 3.28Å; I106-L110 WeakPolarHBondContact O-CG 3.48Å; I106-L110 PolarHBondContact O-N 3.31Å; F107-L110 HydrophobicContact CD1-CD1 4.47Å; F107-L110 PolarHBondContact O-N 3.33Å; L110-G112 VanDerWaalsContact C-N 3.26Å; L110-G112 PolarHBondContact O-N 2.82Å; L110-I113 PolarHBondContact O-N 3.39Å; L110-V114 WeakPolarHBondContact O-CG2 3.38Å; L110-V114 PolarHBondContact O-N 2.95Å |
| 111 | V | 92.6 | Very high | 90 | Very high | 79 Ų | 79 | 62.4 Ų | 62.4 | 48% | 0.479 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 172.8 | 171.6 | 0 | 0 | 0 | 0 | 109.7 | F107 V114 F115 F480 | F107-V111 VanDerWaalsContact O-CB 3.3Å; F107-V111 WeakPolarHBondContact O-CB 3.19Å; F107-V111 VanDerWaalsContact O-CG2 3.23Å; F107-V111 WeakPolarHBondContact O-CG2 3.39Å; F107-V111 PolarHBondContact O-N 3.03Å; V111-V114 PolarHBondContact O-N 2.94Å; V111-F115 WeakPolarHBondContact O-CB 3.4Å; V111-F115 PolarHBondContact O-N 3.4Å; V111-F480 HydrophobicContact CB-CE1 4.46Å; V111-F480 HydrophobicContact CG1-CE1 4.11Å; V111-F480 HydrophobicContact CG1-CZ 4.16Å |
| 112 | G | 91.4 | Very high | 88.7 | Confident | 2 Ų | 2 | 63.1 Ų | 63.1 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -56 | -51.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M108 P109 L110 V114 F115 F116 | M108-G112 PolarHBondContact O-N 3.01Å; P109-G112 CarbonylContact O-C 3.42Å; P109-G112 WeakPolarHBondContact O-CA 3.48Å; P109-G112 PolarHBondContact O-N 3.29Å; L110-G112 VanDerWaalsContact C-N 3.26Å; L110-G112 PolarHBondContact O-N 2.82Å; G112-V114 PolarHBondContact O-N 2.93Å; G112-F115 WeakPolarHBondContact O-CB 3.37Å; G112-F115 PolarHBondContact O-N 3.3Å; G112-F116 WeakPolarHBondContact O-CB 3.47Å; G112-F116 WeakPolarHBondContact O-CD2 3.44Å; G112-F116 PolarHBondContact O-N 3.44Å |
| 113 | I | 90.5 | Very high | 87.4 | Confident | 103 Ų | 103 | 66.3 Ų | 66.3 | 53% | 0.528 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.2 | -48.9 | 178.8 | -67 | 163.5 | 0 | 0 | 0 | 110.7 | P109 L110 F115 F116 C117 | P109-I113 WeakPolarHBondContact O-CG1 3.43Å; P109-I113 PolarHBondContact O-N 3Å; L110-I113 PolarHBondContact O-N 3.39Å; I113-F115 VanDerWaalsContact C-N 3.3Å; I113-F115 PolarHBondContact O-N 2.95Å; I113-F116 PolarHBondContact O-N 3.38Å; I113-C117 WeakPolarHBondContact O-CB 3.14Å; I113-C117 PolarHBondContact O-N 2.87Å; I113-C117 PolarHBondContact O-SG 3.16Å |
| 114 | V | 89.7 | Confident | 85.9 | Confident | 101 Ų | 101 | 66.2 Ų | 66.2 | 61% | 0.612 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.4 | -41.6 | 177.8 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | L110 V111 G112 A118 | L110-V114 WeakPolarHBondContact O-CG2 3.38Å; L110-V114 PolarHBondContact O-N 2.95Å; V111-V114 PolarHBondContact O-N 2.94Å; G112-V114 PolarHBondContact O-N 2.93Å; V114-A118 WeakPolarHBondContact O-CB 3.32Å; V114-A118 PolarHBondContact O-N 3.25Å |
| 115 | F | 87.7 | Confident | 84.3 | Confident | 26 Ų | 26 | 67 Ų | 67 | 11% | 0.114 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62 | -46.1 | 177 | 177 | -99.9 | 0 | 0 | 0 | 111.4 | V111 G112 I113 R119 C124 L473 V476 F480 V802 | V111-F115 WeakPolarHBondContact O-CB 3.4Å; V111-F115 PolarHBondContact O-N 3.4Å; G112-F115 WeakPolarHBondContact O-CB 3.37Å; G112-F115 PolarHBondContact O-N 3.3Å; I113-F115 VanDerWaalsContact C-N 3.3Å; I113-F115 PolarHBondContact O-N 2.95Å; F115-R119 WeakPolarHBondContact O-CB 3.35Å; F115-R119 PolarHBondContact O-N 2.91Å; F115-C124 HydrophobicContact CD2-CB 4.17Å; F115-C124 HydrophobicContact CE2-CB 4.18Å; F115-L473 HydrophobicContact CZ-CD2 4.29Å; F115-V476 HydrophobicContact CE1-CG1 4.2Å; F115-F480 HydrophobicContact CB-CE2 4.48Å; F115-F480 HydrophobicContact CD1-CE2 4.05Å; F115-F480 HydrophobicContact CG-CE2 4.35Å; F115-V802 HydrophobicContact CE1-CG2 4.31Å; F115-V802 HydrophobicContact CE2-CG1 3.78Å; F115-V802 HydrophobicContact CE2-CG2 3.92Å; F115-V802 HydrophobicContact CZ-CB 4.38Å; F115-V802 HydrophobicContact CZ-CG1 3.85Å; F115-V802 HydrophobicContact CZ-CG2 3.51Å |
| 116 | F | 84.9 | Confident | 82.7 | Confident | 95 Ų | 95 | 67.4 Ų | 67.4 | 42% | 0.417 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.2 | -49 | 176.5 | -82.1 | -65.4 | 0 | 0 | 0 | 112 | G112 I113 A118 R119 C120 G477 F480 | G112-F116 WeakPolarHBondContact O-CB 3.47Å; G112-F116 WeakPolarHBondContact O-CD2 3.44Å; G112-F116 PolarHBondContact O-N 3.44Å; I113-F116 PolarHBondContact O-N 3.38Å; F116-A118 PolarHBondContact O-N 3.46Å; F116-R119 PolarHBondContact O-N 3.44Å; F116-C120 PolarHBondContact O-N 3.39Å; F116-C120 PolarHBondContact O-SG 3.21Å; F116-G477 VanDerWaalsContact CZ-CA 3.48Å; F116-F480 HydrophobicContact CE2-CD2 4.5Å |
| 117 | C | 85.9 | Confident | 81.4 | Confident | 71 Ų | 71 | 72.7 Ų | 72.7 | 48% | 0.48 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 177.2 | -67.6 | 0 | 0 | 0 | 0 | 111.9 | I113 R119 C120 C121 | I113-C117 WeakPolarHBondContact O-CB 3.14Å; I113-C117 PolarHBondContact O-N 2.87Å; I113-C117 PolarHBondContact O-SG 3.16Å; C117-R119 VanDerWaalsContact C-N 3.25Å; C117-R119 PolarHBondContact O-N 3.47Å; C117-C120 PolarHBondContact O-N 3.49Å; C117-C121 PolarHBondContact O-N 3.03Å; C117-C121 PolarHBondContact O-SG 3.49Å |
| 118 | A | 83.8 | Confident | 80.1 | Confident | 19 Ų | 19 | 69.7 Ų | 69.7 | 16% | 0.157 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.4 | -39.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | V114 F116 C121 G122 K123 C124 | V114-A118 WeakPolarHBondContact O-CB 3.32Å; V114-A118 PolarHBondContact O-N 3.25Å; F116-A118 PolarHBondContact O-N 3.46Å; A118-C121 CarbonylContact O-C 3.49Å; A118-C121 PolarHBondContact O-N 2.88Å; A118-G122 PolarHBondContact O-N 2.81Å; A118-K123 HydrophobicContact CB-CB 4.16Å; A118-K123 CarbonylContact O-C 3.5Å; A118-K123 VanDerWaalsContact O-CA 3.27Å; A118-K123 WeakPolarHBondContact O-CA 3.41Å; A118-K123 VanDerWaalsContact O-CB 3.31Å; A118-K123 WeakPolarHBondContact O-CB 3.31Å; A118-K123 PolarHBondContact O-N 3.26Å; A118-C124 HydrophobicContact CB-CB 4.13Å |
| 119 | R | 77.8 | Confident | 78.9 | Confident | 46 Ų | 46 | 75.3 Ų | 75.3 | 17% | 0.174 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -69 | -40.7 | 177.8 | -171.5 | 159.7 | 176.8 | 71.1 | 9.7 | 113.2 | F115 F116 C117 C121 G122 K123 C124 G125 G126 R809 | F115-R119 WeakPolarHBondContact O-CB 3.35Å; F115-R119 PolarHBondContact O-N 2.91Å; F116-R119 PolarHBondContact O-N 3.44Å; C117-R119 VanDerWaalsContact C-N 3.25Å; C117-R119 PolarHBondContact O-N 3.47Å; R119-C121 PolarHBondContact O-N 3.23Å; R119-G122 PolarHBondContact O-N 2.84Å; R119-K123 VanDerWaalsContact CA-O 3.3Å; R119-K123 WeakPolarHBondContact CA-O 3.29Å; R119-C124 PolarHBondContact NH1-O 3.21Å; R119-G125 PolarHBondContact NH1-O 2.91Å; R119-G126 VanDerWaalsContact NH1-N 3.13Å; R119-R809 VanDerWaalsContact NH2-NH1 3.11Å |
| 120 | C | 78.2 | Confident | 78 | Confident | 114 Ų | 114 | 78.1 Ų | 78.1 | 77% | 0.77 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59.5 | -36.6 | 170.6 | -67.5 | 0 | 0 | 0 | 0 | 111.7 | F116 C117 G122 | F116-C120 PolarHBondContact O-N 3.39Å; F116-C120 PolarHBondContact O-SG 3.21Å; C117-C120 PolarHBondContact O-N 3.49Å; C120-G122 PolarHBondContact O-N 2.88Å |
| 121 | C | 78 | Confident | 77.1 | Confident | 98 Ų | 98 | 75.8 Ų | 75.8 | 66% | 0.662 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 10.2 | 174.4 | -63.6 | 0 | 0 | 0 | 0 | 114.2 | C117 A118 R119 K123 | C117-C121 PolarHBondContact O-N 3.03Å; C117-C121 PolarHBondContact O-SG 3.49Å; A118-C121 CarbonylContact O-C 3.49Å; A118-C121 PolarHBondContact O-N 2.88Å; R119-C121 PolarHBondContact O-N 3.23Å; C121-K123 VanDerWaalsContact C-N 3.26Å; C121-K123 PolarHBondContact O-N 2.92Å |
| 122 | G | 68.2 | Low | 76.5 | Confident | 21 Ų | 21 | 72.2 Ų | 72.2 | 22% | 0.216 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 2.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | A118 R119 C120 R127 | A118-G122 PolarHBondContact O-N 2.81Å; R119-G122 PolarHBondContact O-N 2.84Å; C120-G122 PolarHBondContact O-N 2.88Å; G122-R127 WeakPolarHBondContact O-CG 3.32Å; G122-R127 PolarHBondContact O-N 3.2Å |
| 123 | K | 70.2 | Confident | 76 | Confident | 152 Ų | 152 | 74.9 Ų | 74.9 | 66% | 0.661 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 176.4 | 172.2 | -62.2 | -178.3 | -180 | 176.1 | 0 | 110.5 | A118 R119 C121 G125 G126 | A118-K123 HydrophobicContact CB-CB 4.16Å; A118-K123 CarbonylContact O-C 3.5Å; A118-K123 VanDerWaalsContact O-CA 3.27Å; A118-K123 WeakPolarHBondContact O-CA 3.41Å; A118-K123 VanDerWaalsContact O-CB 3.31Å; A118-K123 WeakPolarHBondContact O-CB 3.31Å; A118-K123 PolarHBondContact O-N 3.26Å; R119-K123 VanDerWaalsContact CA-O 3.3Å; R119-K123 WeakPolarHBondContact CA-O 3.29Å; C121-K123 VanDerWaalsContact C-N 3.26Å; C121-K123 PolarHBondContact O-N 2.92Å; K123-G125 VanDerWaalsContact C-N 3.33Å; K123-G125 PolarHBondContact O-N 3.28Å; K123-G126 PolarHBondContact O-N 3.38Å |
| 124 | C | 66.3 | Low | 75.5 | Confident | 70 Ų | 70 | 76.8 Ų | 76.8 | 47% | 0.473 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 48.6 | 179 | -61.5 | 0 | 0 | 0 | 0 | 113.9 | F115 A118 R119 G126 | F115-C124 HydrophobicContact CD2-CB 4.17Å; F115-C124 HydrophobicContact CE2-CB 4.18Å; A118-C124 HydrophobicContact CB-CB 4.13Å; R119-C124 PolarHBondContact NH1-O 3.21Å; C124-G126 VanDerWaalsContact C-N 3.32Å; C124-G126 PolarHBondContact O-N 2.88Å |
| 125 | G | 62.2 | Low | 75.2 | Confident | 43 Ų | 43 | 77.6 Ų | 77.6 | 44% | 0.443 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 4.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R119 K123 R127 | R119-G125 PolarHBondContact NH1-O 2.91Å; K123-G125 VanDerWaalsContact C-N 3.33Å; K123-G125 PolarHBondContact O-N 3.28Å; G125-R127 VanDerWaalsContact C-N 3.3Å; G125-R127 PolarHBondContact O-N 2.99Å |
| 126 | G | 61.4 | Low | 75.1 | Confident | 19 Ų | 19 | 76.7 Ų | 76.7 | 20% | 0.196 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -40.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R119 K123 C124 V128 | R119-G126 VanDerWaalsContact NH1-N 3.13Å; K123-G126 PolarHBondContact O-N 3.38Å; C124-G126 VanDerWaalsContact C-N 3.32Å; C124-G126 PolarHBondContact O-N 2.88Å; G126-V128 PolarHBondContact O-N 3.42Å |
| 127 | R | 66.7 | Low | 75 | Confident | 211 Ų | 211 | 75.1 Ų | 75.1 | 80% | 0.796 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -69.9 | 124 | 167.7 | -75.6 | 176.2 | -174.8 | 163.9 | 1.8 | 111.1 | G122 G125 | G122-R127 WeakPolarHBondContact O-CG 3.32Å; G122-R127 PolarHBondContact O-N 3.2Å; G125-R127 VanDerWaalsContact C-N 3.3Å; G125-R127 PolarHBondContact O-N 2.99Å |
| 128 | V | 67.2 | Low | 75.2 | Confident | 51 Ų | 51 | 75.6 Ų | 75.6 | 31% | 0.309 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -85.2 | 123 | 174.1 | -171 | 0 | 0 | 0 | 0 | 108 | G126 R809 | G126-V128 PolarHBondContact O-N 3.42Å; V128-R809 HydrophobicContact CG1-CB 3.79Å; V128-R809 WeakPolarHBondContact CG1-O 3.35Å |
| 129 | Q | 69.9 | Low | 75.5 | Confident | 134 Ų | 134 | 78.7 Ų | 78.7 | 63% | 0.626 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -82.2 | 125.7 | 164.5 | -71.6 | -179 | -20.8 | 0 | 0 | 107.6 | K810 | Q129-K810 WeakPolarHBondContact O-CG 3.49Å; Q129-K810 VanDerWaalsContact OE1-NZ 3.14Å |
| 130 | F | 71.6 | Confident | 76.1 | Confident | 96 Ų | 96 | 77.6 Ų | 77.6 | 42% | 0.421 | 42% | 0.421 | S | S | . | . | trans | -71 | -37.9 | -177.2 | -61.9 | -73.7 | 0 | 0 | 0 | 112.2 | T811 E812 M831 | F130-T811 HydrophobicContact CD1-CG2 4.36Å; F130-T811 PolarHBondContact O-N 3.01Å; F130-T811 PolarHBondContact O-OG1 3.38Å; F130-E812 PolarHBondContact O-N 3.46Å; F130-M831 HydrophobicContact CD2-CE 4.42Å; F130-M831 HydrophobicContact CD2-SD 4.26Å; F130-M831 HydrophobicContact CE2-CE 4.45Å; F130-M831 HydrophobicContact CE2-SD 4.36Å | ||
| 131 | V | 76.2 | Confident | 76.7 | Confident | 41 Ų | 41 | 76.2 Ų | 76.2 | 25% | 0.248 | 41% | 0.409 | C | S | . | . | B | Isolated β-bridge | trans | -100.4 | 135.1 | -171.1 | -164.7 | 0 | 0 | 0 | 0 | 112.7 | K810 E812 Y818 | V131-K810 PolarHBondContact O-NZ 2.97Å; V131-E812 HydrophobicContact CG2-CB 4.38Å; V131-Y818 HydrophobicContact CG1-CD1 4.1Å; V131-Y818 HydrophobicContact CG1-CD2 3.78Å; V131-Y818 HydrophobicContact CG1-CE1 4.11Å; V131-Y818 HydrophobicContact CG1-CE2 3.81Å; V131-Y818 HydrophobicContact CG1-CG 4Å; V131-Y818 HydrophobicContact CG2-CD1 3.96Å; V131-Y818 HydrophobicContact CG2-CE1 3.71Å |
| 132 | D | 79.7 | Confident | 77.5 | Confident | 4 Ų | 4 | 74.7 Ų | 74.7 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 135.6 | 167.8 | -81.3 | -30.6 | 0 | 0 | 0 | 110.6 | D136 R140 R455 K810 E812 Y814 | D132-D136 HydrophobicContact CB-CB 4.29Å; D132-R140 IonicContact OD1-NH2 3.42Å; D132-R140 PolarHBondContact OD1-NH2 3.21Å; D132-R140 IonicContact OD2-NH1 3.47Å; D132-R140 IonicContact OD2-NH2 2.84Å; D132-R140 PolarHBondContact OD2-NH2 3.45Å; D132-R455 IonicContact OD2-CZ 3.08Å; D132-R455 IonicContact OD2-NE 3.47Å; D132-R455 IonicContact OD2-NH2 3.69Å; D132-R455 PolarHBondContact OD2-NH2 3.31Å; D132-K810 WeakPolarHBondContact OD1-CD 2.91Å; D132-E812 PolarHBondContact N-O 2.93Å; D132-Y814 WeakPolarHBondContact O-CA 3.23Å; D132-Y814 VanDerWaalsContact O-CB 3.27Å; D132-Y814 WeakPolarHBondContact O-CB 3.3Å |
| 133 | S | 81.2 | Confident | 78.8 | Confident | 57 Ų | 57 | 76 Ų | 76 | 40% | 0.399 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 161.2 | 165.9 | -178 | 0 | 0 | 0 | 0 | 110.5 | H135 D136 | S133-H135 PolarHBondContact O-N 3.39Å; S133-D136 WeakPolarHBondContact CB-OD2 3.22Å; S133-D136 PolarHBondContact N-OD2 2.8Å; S133-D136 WeakPolarHBondContact O-CB 3.34Å; S133-D136 PolarHBondContact O-N 2.8Å |
| 134 | K | 79.3 | Confident | 79.9 | Confident | 144 Ų | 144 | 69.6 Ų | 69.6 | 63% | 0.626 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46 | -39.2 | 178.7 | -172.5 | 177 | -178.4 | 179.5 | 0 | 114.2 | Y814 | K134-Y814 HydrophobicContact CB-CD2 4.41Å; K134-Y814 HydrophobicContact CB-CE2 4.11Å |
| 135 | H | 83 | Confident | 81.3 | Confident | 118 Ų | 118 | 70.8 Ų | 70.8 | 55% | 0.546 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -3 | -176.9 | -61.5 | 97.6 | 0 | 0 | 0 | 114.4 | S133 C138 K139 | S133-H135 PolarHBondContact O-N 3.39Å; H135-C138 PolarHBondContact O-N 3.42Å; H135-K139 WeakPolarHBondContact O-CG 3.4Å; H135-K139 PolarHBondContact O-N 2.88Å |
| 136 | D | 85.3 | Confident | 83 | Confident | 7 Ų | 7 | 70.6 Ų | 70.6 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.6 | -35.3 | -173.3 | -74.1 | -6.7 | 0 | 0 | 0 | 114.7 | D132 S133 C138 K139 R140 L807 K810 | D132-D136 HydrophobicContact CB-CB 4.29Å; S133-D136 WeakPolarHBondContact CB-OD2 3.22Å; S133-D136 PolarHBondContact N-OD2 2.8Å; S133-D136 WeakPolarHBondContact O-CB 3.34Å; S133-D136 PolarHBondContact O-N 2.8Å; D136-C138 VanDerWaalsContact C-N 3.32Å; D136-C138 PolarHBondContact O-N 2.8Å; D136-K139 PolarHBondContact O-N 3.16Å; D136-K139 IonicContact OD1-NZ 3.72Å; D136-K139 PolarHBondContact OD1-NZ 2.86Å; D136-R140 WeakPolarHBondContact O-CB 3.21Å; D136-R140 PolarHBondContact O-N 2.81Å; D136-L807 HydrophobicContact CB-CD2 3.84Å; D136-K810 WeakPolarHBondContact OD2-CE 3.5Å; D136-K810 IonicContact OD2-NZ 2.64Å; D136-K810 PolarHBondContact OD2-NZ 3Å |
| 137 | P | 83.9 | Confident | 84.7 | Confident | 61 Ų | 61 | 69.7 Ų | 69.7 | 40% | 0.396 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.2 | -44.7 | 171.4 | -25.9 | 35.4 | 0 | 0 | 0 | 112.3 | R140 V141 | P137-R140 PolarHBondContact O-N 3.42Å; P137-V141 WeakPolarHBondContact O-CG2 3.22Å; P137-V141 PolarHBondContact O-N 3.01Å; P137-V141 VanDerWaalsContact O-N 3.1Å |
| 138 | C | 88.8 | Confident | 86.1 | Confident | 82 Ų | 82 | 62.1 Ų | 62.1 | 55% | 0.554 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.2 | -48 | 177 | -179 | 0 | 0 | 0 | 0 | 111.1 | H135 D136 R140 V141 V142 | H135-C138 PolarHBondContact O-N 3.42Å; D136-C138 VanDerWaalsContact C-N 3.32Å; D136-C138 PolarHBondContact O-N 2.8Å; C138-R140 VanDerWaalsContact C-N 3.27Å; C138-R140 PolarHBondContact O-N 3.25Å; C138-V141 PolarHBondContact O-N 2.94Å; C138-V142 WeakPolarHBondContact O-CG2 3.19Å; C138-V142 PolarHBondContact O-N 2.99Å |
| 139 | K | 90.2 | Very high | 87.6 | Confident | 83 Ų | 83 | 64 Ų | 64 | 36% | 0.361 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.5 | -40.2 | 175.7 | -69 | 175.2 | -171.6 | 165.3 | 0 | 112.2 | H135 D136 V142 Y143 L807 | H135-K139 WeakPolarHBondContact O-CG 3.4Å; H135-K139 PolarHBondContact O-N 2.88Å; D136-K139 PolarHBondContact O-N 3.16Å; D136-K139 IonicContact OD1-NZ 3.72Å; D136-K139 PolarHBondContact OD1-NZ 2.86Å; K139-V142 PolarHBondContact O-N 2.86Å; K139-Y143 HydrophobicContact CB-CD2 4.44Å; K139-Y143 HydrophobicContact CB-CE2 4.08Å; K139-Y143 WeakPolarHBondContact O-CB 3.2Å; K139-Y143 WeakPolarHBondContact O-CD2 3.42Å; K139-Y143 PolarHBondContact O-N 2.92Å; K139-L807 HydrophobicContact CB-CD1 3.9Å |
| 140 | R | 90.4 | Very high | 88.9 | Confident | 23 Ų | 23 | 58.7 Ų | 58.7 | 9% | 0.087 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 178.4 | -171.6 | -175.8 | -69.7 | 133.5 | 0.2 | 110.4 | D132 D136 P137 C138 T144 R465 L804 L807 Y808 | D132-R140 IonicContact OD1-NH2 3.42Å; D132-R140 PolarHBondContact OD1-NH2 3.21Å; D132-R140 IonicContact OD2-NH1 3.47Å; D132-R140 IonicContact OD2-NH2 2.84Å; D132-R140 PolarHBondContact OD2-NH2 3.45Å; D136-R140 WeakPolarHBondContact O-CB 3.21Å; D136-R140 PolarHBondContact O-N 2.81Å; P137-R140 PolarHBondContact O-N 3.42Å; C138-R140 VanDerWaalsContact C-N 3.27Å; C138-R140 PolarHBondContact O-N 3.25Å; R140-T144 VanDerWaalsContact O-CB 3.25Å; R140-T144 WeakPolarHBondContact O-CB 3.37Å; R140-T144 PolarHBondContact O-N 2.9Å; R140-T144 PolarHBondContact O-OG1 3.21Å; R140-R465 VanDerWaalsContact NH1-NH1 3.12Å; R140-L804 HydrophobicContact CG-CD1 3.91Å; R140-L807 HydrophobicContact CB-CD1 4.07Å; R140-L807 PolarHBondContact NE-O 3.2Å; R140-L807 PolarHBondContact NH2-O 3.4Å; R140-Y808 HydrophobicContact CG-CD1 4.11Å; R140-Y808 HydrophobicContact CG-CE1 3.66Å |
| 141 | V | 91.1 | Very high | 90.1 | Very high | 85 Ų | 85 | 54.1 Ų | 54.1 | 52% | 0.515 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.5 | -51.1 | 176.3 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | P137 C138 Y143 T144 I145 | P137-V141 WeakPolarHBondContact O-CG2 3.22Å; P137-V141 PolarHBondContact O-N 3.01Å; P137-V141 VanDerWaalsContact O-N 3.1Å; C138-V141 PolarHBondContact O-N 2.94Å; V141-Y143 PolarHBondContact O-N 3.11Å; V141-T144 WeakPolarHBondContact O-CB 3.37Å; V141-T144 PolarHBondContact O-N 3.08Å; V141-I145 HydrophobicContact CG1-CD1 3.71Å; V141-I145 HydrophobicContact CG1-CG1 4.44Å; V141-I145 WeakPolarHBondContact O-CG1 3.39Å; V141-I145 PolarHBondContact O-N 3.49Å |
| 142 | V | 95.2 | Very high | 91 | Very high | 67 Ų | 67 | 54.8 Ų | 54.8 | 41% | 0.406 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.5 | -49.5 | -178.9 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | C138 K139 T144 I145 C146 | C138-V142 WeakPolarHBondContact O-CG2 3.19Å; C138-V142 PolarHBondContact O-N 2.99Å; K139-V142 PolarHBondContact O-N 2.86Å; V142-T144 VanDerWaalsContact C-N 3.32Å; V142-T144 PolarHBondContact O-N 3.23Å; V142-I145 PolarHBondContact O-N 3.26Å; V142-C146 WeakPolarHBondContact O-CB 3.14Å; V142-C146 PolarHBondContact O-N 3.45Å; V142-C146 PolarHBondContact O-SG 3.28Å |
| 143 | Y | 94.5 | Very high | 91.8 | Very high | 48 Ų | 48 | 61.1 Ų | 61.1 | 19% | 0.188 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.2 | -33 | 180 | -62.4 | -16.3 | 0 | 0 | 0 | 112.6 | K139 V141 L147 F800 K803 L807 | K139-Y143 HydrophobicContact CB-CD2 4.44Å; K139-Y143 HydrophobicContact CB-CE2 4.08Å; K139-Y143 WeakPolarHBondContact O-CB 3.2Å; K139-Y143 WeakPolarHBondContact O-CD2 3.42Å; K139-Y143 PolarHBondContact O-N 2.92Å; V141-Y143 PolarHBondContact O-N 3.11Å; Y143-L147 VanDerWaalsContact O-CB 3.24Å; Y143-L147 WeakPolarHBondContact O-CB 3.38Å; Y143-L147 PolarHBondContact O-N 3.27Å; Y143-F800 AromaticContact CD1-CD1 3.62Å; Y143-F800 HydrophobicContact CD1-CD1 3.62Å; Y143-F800 AromaticContact CD1-CE1 3.67Å; Y143-F800 HydrophobicContact CD1-CE1 3.67Å; Y143-F800 HydrophobicContact CE1-CD1 4.32Å; Y143-F800 HydrophobicContact CE1-CE1 4.1Å; Y143-F800 HydrophobicContact CG-CD1 4.02Å; Y143-K803 HydrophobicContact CD2-CB 3.83Å; Y143-K803 HydrophobicContact CE2-CB 3.77Å; Y143-K803 HydrophobicContact CE2-CD 3.94Å; Y143-K803 HydrophobicContact CE2-CG 4.41Å; Y143-L807 HydrophobicContact CD2-CD1 3.7Å; Y143-L807 HydrophobicContact CE2-CD1 4.05Å |
| 144 | T | 94.7 | Very high | 92.5 | Very high | 18 Ų | 18 | 58.4 Ų | 58.4 | 11% | 0.11 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.1 | -50.6 | 172.5 | -58.8 | 0 | 0 | 0 | 0 | 110.3 | R140 V141 V142 C146 L147 V148 L447 T451 Y808 | R140-T144 VanDerWaalsContact O-CB 3.25Å; R140-T144 WeakPolarHBondContact O-CB 3.37Å; R140-T144 PolarHBondContact O-N 2.9Å; R140-T144 PolarHBondContact O-OG1 3.21Å; V141-T144 WeakPolarHBondContact O-CB 3.37Å; V141-T144 PolarHBondContact O-N 3.08Å; V142-T144 VanDerWaalsContact C-N 3.32Å; V142-T144 PolarHBondContact O-N 3.23Å; T144-C146 PolarHBondContact O-N 3.17Å; T144-L147 PolarHBondContact O-N 2.89Å; T144-V148 HydrophobicContact CG2-CG2 4.36Å; T144-V148 WeakPolarHBondContact O-CB 3.31Å; T144-V148 VanDerWaalsContact O-CG2 3.27Å; T144-V148 WeakPolarHBondContact O-CG2 3.18Å; T144-V148 PolarHBondContact O-N 3.32Å; T144-L447 HydrophobicContact CG2-CD2 3.93Å; T144-T451 HydrophobicContact CG2-CG2 3.46Å; T144-T451 VanDerWaalsContact CG2-CG2 3.46Å; T144-Y808 PolarHBondContact OG1-OH 3.31Å |
| 145 | I | 95.8 | Very high | 93.3 | Very high | 94 Ų | 94 | 54.6 Ų | 54.6 | 48% | 0.482 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.7 | -47.6 | 179.7 | -67 | 168.7 | 0 | 0 | 0 | 110.5 | V141 V142 L147 V148 L149 | V141-I145 HydrophobicContact CG1-CD1 3.71Å; V141-I145 HydrophobicContact CG1-CG1 4.44Å; V141-I145 WeakPolarHBondContact O-CG1 3.39Å; V141-I145 PolarHBondContact O-N 3.49Å; V142-I145 PolarHBondContact O-N 3.26Å; I145-L147 VanDerWaalsContact C-N 3.34Å; I145-L147 PolarHBondContact O-N 2.99Å; I145-V148 PolarHBondContact O-N 3.27Å; I145-L149 HydrophobicContact CG2-CD1 4.06Å; I145-L149 HydrophobicContact CG2-CG 4.49Å; I145-L149 WeakPolarHBondContact O-CG 3.41Å; I145-L149 PolarHBondContact O-N 2.92Å |
| 146 | C | 97.2 | Very high | 93.9 | Very high | 39 Ų | 39 | 51.4 Ų | 51.4 | 26% | 0.264 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.9 | -45 | 177.3 | -67.9 | 0 | 0 | 0 | 0 | 112 | V142 T144 L149 I150 F800 | V142-C146 WeakPolarHBondContact O-CB 3.14Å; V142-C146 PolarHBondContact O-N 3.45Å; V142-C146 PolarHBondContact O-SG 3.28Å; T144-C146 PolarHBondContact O-N 3.17Å; C146-L149 PolarHBondContact O-N 2.79Å; C146-I150 WeakPolarHBondContact O-CD1 3.32Å; C146-I150 VanDerWaalsContact O-CG1 3.22Å; C146-I150 WeakPolarHBondContact O-CG1 3.41Å; C146-I150 PolarHBondContact O-N 2.98Å; C146-F800 HydrophobicContact CB-CD1 4.05Å; C146-F800 HydrophobicContact CB-CD2 4.09Å; C146-F800 HydrophobicContact CB-CE1 3.89Å; C146-F800 HydrophobicContact CB-CE2 3.93Å; C146-F800 HydrophobicContact CB-CG 4.15Å; C146-F800 HydrophobicContact CB-CZ 3.83Å |
| 147 | L | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68 | -41.6 | -179.6 | -173.7 | 61 | 0 | 0 | 0 | 111.8 | Y143 T144 I145 L149 I150 V151 L447 L472 A797 F800 A801 L804 | Y143-L147 VanDerWaalsContact O-CB 3.24Å; Y143-L147 WeakPolarHBondContact O-CB 3.38Å; Y143-L147 PolarHBondContact O-N 3.27Å; T144-L147 PolarHBondContact O-N 2.89Å; I145-L147 VanDerWaalsContact C-N 3.34Å; I145-L147 PolarHBondContact O-N 2.99Å; L147-L149 VanDerWaalsContact C-N 3.35Å; L147-L149 PolarHBondContact O-N 3.46Å; L147-I150 PolarHBondContact O-N 3.28Å; L147-V151 HydrophobicContact CD1-CG2 3.94Å; L147-V151 HydrophobicContact CG-CG2 4.22Å; L147-V151 WeakPolarHBondContact O-CB 3.49Å; L147-V151 VanDerWaalsContact O-CG2 3.25Å; L147-V151 WeakPolarHBondContact O-CG2 3.38Å; L147-V151 PolarHBondContact O-N 2.82Å; L147-L447 HydrophobicContact CB-CD2 4.4Å; L147-L447 HydrophobicContact CD2-CD1 4.49Å; L147-L447 HydrophobicContact CD2-CD2 3.98Å; L147-L447 HydrophobicContact CD2-CG 4.28Å; L147-L447 HydrophobicContact CG-CD1 4.36Å; L147-L447 HydrophobicContact CG-CD2 4.36Å; L147-L472 HydrophobicContact CD2-CD2 3.78Å; L147-A797 HydrophobicContact CD1-CB 4.19Å; L147-F800 HydrophobicContact CB-CB 4.18Å; L147-F800 HydrophobicContact CD1-CB 4.28Å; L147-A801 HydrophobicContact CD1-CB 4.37Å; L147-A801 HydrophobicContact CD2-CB 4.06Å; L147-L804 HydrophobicContact CD2-CD2 4.01Å |
| 148 | V | 97.1 | Very high | 94.9 | Very high | 53 Ų | 53 | 48.8 Ų | 48.8 | 32% | 0.321 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.6 | -50.5 | 174 | 168.8 | 0 | 0 | 0 | 0 | 109.9 | T144 I145 I150 V151 T152 L447 | T144-V148 HydrophobicContact CG2-CG2 4.36Å; T144-V148 WeakPolarHBondContact O-CB 3.31Å; T144-V148 VanDerWaalsContact O-CG2 3.27Å; T144-V148 WeakPolarHBondContact O-CG2 3.18Å; T144-V148 PolarHBondContact O-N 3.32Å; I145-V148 PolarHBondContact O-N 3.27Å; V148-I150 PolarHBondContact O-N 2.94Å; V148-V151 PolarHBondContact O-N 3.33Å; V148-T152 HydrophobicContact CG1-CG2 4.26Å; V148-T152 VanDerWaalsContact O-CG2 3.25Å; V148-T152 WeakPolarHBondContact O-CG2 3.14Å; V148-T152 PolarHBondContact O-N 3.35Å; V148-T152 PolarHBondContact O-OG1 3.48Å; V148-L447 HydrophobicContact CG2-CD1 3.8Å; V148-L447 HydrophobicContact CG2-CD2 4.09Å; V148-L447 HydrophobicContact CG2-CG 4.5Å |
| 149 | L | 97.5 | Very high | 95.2 | Very high | 90 Ų | 90 | 48.3 Ų | 48.3 | 47% | 0.471 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 179.3 | -69.8 | 174.3 | 0 | 0 | 0 | 112.2 | I145 C146 L147 T152 F153 | I145-L149 HydrophobicContact CG2-CD1 4.06Å; I145-L149 HydrophobicContact CG2-CG 4.49Å; I145-L149 WeakPolarHBondContact O-CG 3.41Å; I145-L149 PolarHBondContact O-N 2.92Å; C146-L149 PolarHBondContact O-N 2.79Å; L147-L149 VanDerWaalsContact C-N 3.35Å; L147-L149 PolarHBondContact O-N 3.46Å; L149-T152 WeakPolarHBondContact CA-OG1 3.07Å; L149-T152 PolarHBondContact O-N 3.21Å; L149-T152 PolarHBondContact O-OG1 3.49Å; L149-F153 WeakPolarHBondContact O-CD2 3.45Å; L149-F153 PolarHBondContact O-N 3.44Å |
| 150 | I | 97.3 | Very high | 95.4 | Very high | 23 Ų | 23 | 46 Ų | 46 | 12% | 0.118 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.6 | -47.4 | 179.4 | -68.4 | 161.2 | 0 | 0 | 0 | 110.6 | C146 L147 V148 T152 F153 Q154 L793 P796 A797 F800 | C146-I150 WeakPolarHBondContact O-CD1 3.32Å; C146-I150 VanDerWaalsContact O-CG1 3.22Å; C146-I150 WeakPolarHBondContact O-CG1 3.41Å; C146-I150 PolarHBondContact O-N 2.98Å; L147-I150 PolarHBondContact O-N 3.28Å; V148-I150 PolarHBondContact O-N 2.94Å; I150-T152 VanDerWaalsContact C-N 3.34Å; I150-T152 PolarHBondContact O-N 3.42Å; I150-F153 PolarHBondContact O-N 3.37Å; I150-Q154 HydrophobicContact CG2-CG 4.42Å; I150-Q154 VanDerWaalsContact O-CG 3.26Å; I150-Q154 WeakPolarHBondContact O-CG 3.45Å; I150-Q154 PolarHBondContact O-N 3.46Å; I150-L793 HydrophobicContact CG2-CB 4.11Å; I150-P796 HydrophobicContact CD1-CB 3.92Å; I150-P796 HydrophobicContact CD1-CG 4.39Å; I150-A797 HydrophobicContact CG2-CB 3.85Å; I150-F800 HydrophobicContact CD1-CD2 3.51Å; I150-F800 HydrophobicContact CD1-CE2 3.76Å |
| 151 | V | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.8 | -33.6 | -178.6 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | L147 V148 Q154 L155 F440 L443 Y444 | L147-V151 HydrophobicContact CD1-CG2 3.94Å; L147-V151 HydrophobicContact CG-CG2 4.22Å; L147-V151 WeakPolarHBondContact O-CB 3.49Å; L147-V151 VanDerWaalsContact O-CG2 3.25Å; L147-V151 WeakPolarHBondContact O-CG2 3.38Å; L147-V151 PolarHBondContact O-N 2.82Å; V148-V151 PolarHBondContact O-N 3.33Å; V151-Q154 PolarHBondContact O-N 3.45Å; V151-L155 WeakPolarHBondContact O-CB 3.36Å; V151-L155 PolarHBondContact O-N 3.23Å; V151-F440 HydrophobicContact CG1-CB 4.1Å; V151-F440 HydrophobicContact CG1-CD1 4.15Å; V151-F440 HydrophobicContact CG1-CG 4.27Å; V151-L443 HydrophobicContact CG2-CB 4.3Å; V151-L443 HydrophobicContact CG2-CD1 3.78Å; V151-Y444 HydrophobicContact CG1-CD2 4.08Å; V151-Y444 HydrophobicContact CG1-CE1 4.28Å; V151-Y444 HydrophobicContact CG1-CE2 3.53Å |
| 152 | T | 96.1 | Very high | 95.9 | Very high | 55 Ų | 55 | 44.7 Ų | 44.7 | 34% | 0.337 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.9 | -43.1 | 173.7 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | V148 L149 I150 Q154 L155 A156 Y444 | V148-T152 HydrophobicContact CG1-CG2 4.26Å; V148-T152 VanDerWaalsContact O-CG2 3.25Å; V148-T152 WeakPolarHBondContact O-CG2 3.14Å; V148-T152 PolarHBondContact O-N 3.35Å; V148-T152 PolarHBondContact O-OG1 3.48Å; L149-T152 WeakPolarHBondContact CA-OG1 3.07Å; L149-T152 PolarHBondContact O-N 3.21Å; L149-T152 PolarHBondContact O-OG1 3.49Å; I150-T152 VanDerWaalsContact C-N 3.34Å; I150-T152 PolarHBondContact O-N 3.42Å; T152-Q154 VanDerWaalsContact C-N 3.33Å; T152-Q154 PolarHBondContact O-N 3.13Å; T152-L155 PolarHBondContact O-N 3.25Å; T152-A156 PolarHBondContact O-N 3.06Å; T152-Y444 WeakPolarHBondContact CA-OH 3.36Å; T152-Y444 WeakPolarHBondContact CG2-OH 3.3Å; T152-Y444 PolarHBondContact N-OH 3.47Å |
| 153 | F | 96.4 | Very high | 95.9 | Very high | 137 Ų | 137 | 43.2 Ų | 43.2 | 60% | 0.601 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62.8 | -40 | 174.3 | -79.7 | -62.5 | 0 | 0 | 0 | 112.1 | L149 I150 A156 A157 L793 | L149-F153 WeakPolarHBondContact O-CD2 3.45Å; L149-F153 PolarHBondContact O-N 3.44Å; I150-F153 PolarHBondContact O-N 3.37Å; F153-A156 PolarHBondContact O-N 2.83Å; F153-A157 PolarHBondContact O-N 3.41Å; F153-L793 HydrophobicContact CB-CD1 4.05Å |
| 154 | Q | 95.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.4 | -43.1 | 175 | -72.3 | 177.7 | -55.8 | 0 | 0 | 112.3 | I150 V151 T152 A156 A157 V158 F440 T790 L793 F794 | I150-Q154 HydrophobicContact CG2-CG 4.42Å; I150-Q154 VanDerWaalsContact O-CG 3.26Å; I150-Q154 WeakPolarHBondContact O-CG 3.45Å; I150-Q154 PolarHBondContact O-N 3.46Å; V151-Q154 PolarHBondContact O-N 3.45Å; T152-Q154 VanDerWaalsContact C-N 3.33Å; T152-Q154 PolarHBondContact O-N 3.13Å; Q154-A156 VanDerWaalsContact C-N 3.32Å; Q154-A156 PolarHBondContact O-N 3.03Å; Q154-A157 PolarHBondContact O-N 3.36Å; Q154-V158 WeakPolarHBondContact O-CG2 3.32Å; Q154-V158 PolarHBondContact O-N 2.97Å; Q154-F440 HydrophobicContact CB-CE1 3.69Å; Q154-F440 HydrophobicContact CB-CE2 4.19Å; Q154-F440 HydrophobicContact CB-CZ 3.51Å; Q154-F440 HydrophobicContact CG-CE1 4.45Å; Q154-T790 HydrophobicContact CB-CG2 4.48Å; Q154-T790 PolarHBondContact NE2-O 2.84Å; Q154-L793 HydrophobicContact CG-CB 3.47Å; Q154-L793 VanDerWaalsContact CG-CB 3.47Å; Q154-L793 HydrophobicContact CG-CD1 3.71Å; Q154-L793 HydrophobicContact CG-CG 4.25Å; Q154-L793 VanDerWaalsContact NE2-CB 3.31Å; Q154-L793 PolarHBondContact NE2-O 3.44Å; Q154-F794 VanDerWaalsContact NE2-CD1 3.26Å |
| 155 | L | 95.8 | Very high | 95.9 | Very high | 63 Ų | 63 | 40.5 Ų | 40.5 | 33% | 0.33 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.1 | -45.8 | 175.9 | -179.6 | 64.1 | 0 | 0 | 0 | 110.7 | V151 T152 A157 V158 V159 F440 Y444 | V151-L155 WeakPolarHBondContact O-CB 3.36Å; V151-L155 PolarHBondContact O-N 3.23Å; T152-L155 PolarHBondContact O-N 3.25Å; L155-A157 VanDerWaalsContact C-N 3.35Å; L155-A157 PolarHBondContact O-N 3.27Å; L155-V158 PolarHBondContact O-N 3.13Å; L155-V159 HydrophobicContact CD1-CG2 4.38Å; L155-V159 VanDerWaalsContact O-CG2 3.26Å; L155-V159 WeakPolarHBondContact O-CG2 3.24Å; L155-V159 PolarHBondContact O-N 3.42Å; L155-F440 HydrophobicContact CB-CD2 4.27Å; L155-F440 HydrophobicContact CD1-CD2 4Å; L155-Y444 HydrophobicContact CD2-CE2 4.29Å |
| 156 | A | 95.5 | Very high | 95.8 | Very high | 51 Ų | 51 | 39.7 Ų | 39.7 | 42% | 0.421 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.1 | -43.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T152 F153 Q154 V159 L160 | T152-A156 PolarHBondContact O-N 3.06Å; F153-A156 PolarHBondContact O-N 2.83Å; Q154-A156 VanDerWaalsContact C-N 3.32Å; Q154-A156 PolarHBondContact O-N 3.03Å; A156-V159 PolarHBondContact O-N 3.27Å; A156-L160 PolarHBondContact O-N 2.95Å |
| 157 | A | 95.8 | Very high | 95.7 | Very high | 14 Ų | 14 | 38.3 Ų | 38.3 | 12% | 0.116 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.6 | -39.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F153 Q154 L155 L160 A161 F789 | F153-A157 PolarHBondContact O-N 3.41Å; Q154-A157 PolarHBondContact O-N 3.36Å; L155-A157 VanDerWaalsContact C-N 3.35Å; L155-A157 PolarHBondContact O-N 3.27Å; A157-L160 PolarHBondContact O-N 3.42Å; A157-A161 PolarHBondContact O-N 2.62Å; A157-F789 HydrophobicContact CB-CB 4.24Å |
| 158 | V | 95.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -71 | -38.1 | 175.1 | 174 | 0 | 0 | 0 | 0 | 112 | Q154 L155 L160 A161 F162 L433 P436 I437 F440 T790 | Q154-V158 WeakPolarHBondContact O-CG2 3.32Å; Q154-V158 PolarHBondContact O-N 2.97Å; L155-V158 PolarHBondContact O-N 3.13Å; V158-L160 VanDerWaalsContact C-N 3.29Å; V158-L160 PolarHBondContact O-N 3.28Å; V158-A161 WeakPolarHBondContact O-CB 3.24Å; V158-A161 PolarHBondContact O-N 2.98Å; V158-A161 VanDerWaalsContact O-N 3.15Å; V158-F162 WeakPolarHBondContact O-CB 3.36Å; V158-F162 PolarHBondContact O-N 2.95Å; V158-L433 HydrophobicContact CG1-CD2 4.33Å; V158-P436 HydrophobicContact CG1-CG 4.09Å; V158-P436 HydrophobicContact CG2-CB 4Å; V158-P436 HydrophobicContact CG2-CG 4.01Å; V158-I437 HydrophobicContact CG1-CD1 4.39Å; V158-I437 HydrophobicContact CG1-CG1 3.97Å; V158-F440 HydrophobicContact CB-CE2 4.04Å; V158-F440 HydrophobicContact CG2-CE2 3.57Å; V158-F440 HydrophobicContact CG2-CZ 3.86Å; V158-T790 HydrophobicContact CG2-CG2 3.59Å; V158-T790 WeakPolarHBondContact CG2-OG1 3.25Å |
| 159 | V | 95 | Very high | 95.3 | Very high | 71 Ų | 71 | 37.7 Ų | 37.7 | 43% | 0.43 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 174 | 169.3 | 0 | 0 | 0 | 0 | 110.3 | L155 A156 F162 I163 | L155-V159 HydrophobicContact CD1-CG2 4.38Å; L155-V159 VanDerWaalsContact O-CG2 3.26Å; L155-V159 WeakPolarHBondContact O-CG2 3.24Å; L155-V159 PolarHBondContact O-N 3.42Å; A156-V159 PolarHBondContact O-N 3.27Å; V159-F162 WeakPolarHBondContact O-CB 3.43Å; V159-F162 PolarHBondContact O-N 3.1Å; V159-I163 HydrophobicContact CG1-CD1 3.9Å; V159-I163 HydrophobicContact CG1-CG1 4.5Å; V159-I163 WeakPolarHBondContact O-CG1 3.35Å; V159-I163 PolarHBondContact O-N 2.92Å |
| 160 | L | 94.9 | Very high | 94.9 | Very high | 35 Ų | 35 | 35.6 Ų | 35.6 | 18% | 0.183 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.5 | -42.5 | 172.7 | -78.9 | 157.3 | 0 | 0 | 0 | 112.2 | V41 F43 A156 A157 V158 F162 I163 N164 | V41-L160 HydrophobicContact CB-CD2 4.27Å; V41-L160 HydrophobicContact CG1-CD2 3.92Å; F43-L160 HydrophobicContact CE1-CD2 4.03Å; F43-L160 HydrophobicContact CE2-CD1 3.96Å; F43-L160 HydrophobicContact CE2-CD2 4.21Å; F43-L160 HydrophobicContact CZ-CD1 3.78Å; F43-L160 HydrophobicContact CZ-CD2 3.5Å; F43-L160 VanDerWaalsContact CZ-CD2 3.5Å; F43-L160 HydrophobicContact CZ-CG 4.23Å; A156-L160 PolarHBondContact O-N 2.95Å; A157-L160 PolarHBondContact O-N 3.42Å; V158-L160 VanDerWaalsContact C-N 3.29Å; V158-L160 PolarHBondContact O-N 3.28Å; L160-F162 VanDerWaalsContact C-N 3.3Å; L160-F162 PolarHBondContact O-N 3.3Å; L160-I163 PolarHBondContact O-N 3.24Å; L160-N164 WeakPolarHBondContact O-CB 3.45Å; L160-N164 PolarHBondContact O-N 3.45Å; L160-N164 PolarHBondContact O-ND2 2.86Å |
| 161 | A | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62 | -39.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A157 V158 N164 H165 L433 F783 | A157-A161 PolarHBondContact O-N 2.62Å; V158-A161 WeakPolarHBondContact O-CB 3.24Å; V158-A161 PolarHBondContact O-N 2.98Å; V158-A161 VanDerWaalsContact O-N 3.15Å; A161-N164 PolarHBondContact O-N 3.18Å; A161-H165 VanDerWaalsContact O-CB 3.31Å; A161-H165 WeakPolarHBondContact O-CB 3.35Å; A161-H165 PolarHBondContact O-N 2.9Å; A161-L433 HydrophobicContact CB-CD2 3.85Å; A161-F783 HydrophobicContact CB-CD2 4.3Å |
| 162 | F | 95.1 | Very high | 94.2 | Very high | 80 Ų | 80 | 35.1 Ų | 35.1 | 35% | 0.351 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.9 | -47.2 | 177.6 | -166 | -81.4 | 0 | 0 | 0 | 112.4 | V158 V159 L160 N164 H165 H166 V430 L433 | V158-F162 WeakPolarHBondContact O-CB 3.36Å; V158-F162 PolarHBondContact O-N 2.95Å; V159-F162 WeakPolarHBondContact O-CB 3.43Å; V159-F162 PolarHBondContact O-N 3.1Å; L160-F162 VanDerWaalsContact C-N 3.3Å; L160-F162 PolarHBondContact O-N 3.3Å; F162-N164 VanDerWaalsContact C-N 3.34Å; F162-N164 PolarHBondContact O-N 3.34Å; F162-H165 PolarHBondContact O-N 2.88Å; F162-H166 PolarHBondContact O-N 3.42Å; F162-V430 HydrophobicContact CE2-CG1 4.3Å; F162-V430 HydrophobicContact CE2-CG2 4.2Å; F162-V430 HydrophobicContact CZ-CG2 4.38Å; F162-L433 HydrophobicContact CB-CD1 3.99Å; F162-L433 HydrophobicContact CD2-CB 4.17Å; F162-L433 HydrophobicContact CD2-CD1 3.86Å; F162-L433 HydrophobicContact CG-CD1 4.29Å |
| 163 | I | 95.2 | Very high | 93.6 | Very high | 37 Ų | 37 | 34.6 Ų | 34.6 | 19% | 0.19 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.7 | -46.4 | 176.4 | -66.2 | 165.4 | 0 | 0 | 0 | 110.2 | L37 V41 V159 L160 H165 H166 L167 | L37-I163 HydrophobicContact CD1-CD1 4.42Å; L37-I163 HydrophobicContact CD1-CG1 4.47Å; L37-I163 HydrophobicContact CD1-CG2 3.71Å; L37-I163 HydrophobicContact CD2-CG2 3.96Å; L37-I163 HydrophobicContact CG-CG2 3.69Å; V41-I163 HydrophobicContact CG1-CB 4.28Å; V41-I163 HydrophobicContact CG1-CD1 4.25Å; V41-I163 HydrophobicContact CG1-CG2 3.62Å; V41-I163 HydrophobicContact CG2-CG2 4.34Å; V159-I163 HydrophobicContact CG1-CD1 3.9Å; V159-I163 HydrophobicContact CG1-CG1 4.5Å; V159-I163 WeakPolarHBondContact O-CG1 3.35Å; V159-I163 PolarHBondContact O-N 2.92Å; L160-I163 PolarHBondContact O-N 3.24Å; I163-H165 VanDerWaalsContact C-N 3.34Å; I163-H165 PolarHBondContact O-N 3.44Å; I163-H166 PolarHBondContact O-N 3.14Å; I163-L167 HydrophobicContact CG2-CD1 3.92Å; I163-L167 HydrophobicContact CG2-CG 4.3Å; I163-L167 WeakPolarHBondContact O-CG 3.25Å; I163-L167 PolarHBondContact O-N 3.32Å |
| 164 | N | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.6 | -32.5 | 179.7 | -76.4 | -59.2 | 0 | 0 | 0 | 113.1 | S44 Y45 L160 A161 F162 L167 F168 P779 A782 F783 | S44-N164 PolarHBondContact OG-ND2 3.36Å; S44-N164 VanDerWaalsContact OG-ND2 3.15Å; Y45-N164 WeakPolarHBondContact CE1-OD1 3.47Å; L160-N164 WeakPolarHBondContact O-CB 3.45Å; L160-N164 PolarHBondContact O-N 3.45Å; L160-N164 PolarHBondContact O-ND2 2.86Å; A161-N164 PolarHBondContact O-N 3.18Å; F162-N164 VanDerWaalsContact C-N 3.34Å; F162-N164 PolarHBondContact O-N 3.34Å; N164-L167 PolarHBondContact O-N 3.44Å; N164-F168 VanDerWaalsContact O-CB 3.29Å; N164-F168 WeakPolarHBondContact O-CB 3.48Å; N164-F168 PolarHBondContact O-N 2.87Å; N164-P779 WeakPolarHBondContact O-CB 3.16Å; N164-A782 HydrophobicContact CB-CB 4.06Å; N164-A782 VanDerWaalsContact CG-CB 3.45Å; N164-A782 WeakPolarHBondContact ND2-CB 3.42Å; N164-F783 HydrophobicContact CB-CB 4.45Å |
| 165 | H | 94.6 | Very high | 92.2 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.2 | -41.1 | 171.3 | -175 | 59.5 | 0 | 0 | 0 | 111.7 | A161 F162 I163 F168 H169 V425 L426 G429 L433 F783 | A161-H165 VanDerWaalsContact O-CB 3.31Å; A161-H165 WeakPolarHBondContact O-CB 3.35Å; A161-H165 PolarHBondContact O-N 2.9Å; F162-H165 PolarHBondContact O-N 2.88Å; I163-H165 VanDerWaalsContact C-N 3.34Å; I163-H165 PolarHBondContact O-N 3.44Å; H165-F168 PolarHBondContact O-N 3.48Å; H165-H169 PolarHBondContact O-N 3.37Å; H165-V425 PolarHBondContact CE1-O 3.09Å; H165-V425 PolarHBondContact NE2-O 2.91Å; H165-L426 WeakPolarHBondContact NE2-CA 3.31Å; H165-L426 PolarHBondContact NE2-O 3.26Å; H165-G429 WeakPolarHBondContact NE2-CA 3.48Å; H165-L433 HydrophobicContact CB-CD1 4.19Å; H165-F783 HydrophobicContact CB-CD2 3.84Å; H165-F783 HydrophobicContact CB-CE2 4.31Å |
| 166 | H | 93.6 | Very high | 91.7 | Very high | 77 Ų | 77 | 29.7 Ų | 29.7 | 36% | 0.356 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -65.6 | -45.3 | 174.1 | -178.1 | 17.3 | 0 | 0 | 0 | 112 | F162 I163 F168 H169 E170 | F162-H166 PolarHBondContact O-N 3.42Å; I163-H166 PolarHBondContact O-N 3.14Å; H166-F168 VanDerWaalsContact C-N 3.27Å; H166-F168 PolarHBondContact O-N 2.87Å; H166-H169 WeakPolarHBondContact O-CB 3.35Å; H166-H169 PolarHBondContact O-N 3.48Å; H166-H169 VanDerWaalsContact O-N 3.13Å; H166-E170 IonicContact CE1-OE1 2.6Å; H166-E170 PolarHBondContact CE1-OE1 3.29Å; H166-E170 VanDerWaalsContact CE1-OE1 3.24Å; H166-E170 IonicContact ND1-OE1 3.58Å; H166-E170 WeakPolarHBondContact O-CG 3.25Å; H166-E170 PolarHBondContact O-N 3.37Å |
| 167 | L | 94.4 | Very high | 91.4 | Very high | 10 Ų | 10 | 29.3 Ų | 29.3 | 5% | 0.052 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.7 | -35.4 | 176 | -70.3 | 172.5 | 0 | 0 | 0 | 112.1 | T34 L37 R38 V41 Y45 I163 N164 E170 A171 P779 | T34-L167 HydrophobicContact CG2-CD2 3.95Å; L37-L167 HydrophobicContact CB-CD2 4.45Å; L37-L167 HydrophobicContact CD2-CD2 4.24Å; L37-L167 HydrophobicContact CG-CD2 4.32Å; R38-L167 HydrophobicContact CB-CD1 4.28Å; R38-L167 HydrophobicContact CB-CD2 4.16Å; V41-L167 HydrophobicContact CG2-CD1 3.5Å; V41-L167 VanDerWaalsContact CG2-CD1 3.5Å; Y45-L167 WeakPolarHBondContact OH-CD1 3.27Å; I163-L167 HydrophobicContact CG2-CD1 3.92Å; I163-L167 HydrophobicContact CG2-CG 4.3Å; I163-L167 WeakPolarHBondContact O-CG 3.25Å; I163-L167 PolarHBondContact O-N 3.32Å; N164-L167 PolarHBondContact O-N 3.44Å; L167-E170 PolarHBondContact O-N 2.84Å; L167-A171 WeakPolarHBondContact O-CB 3.43Å; L167-A171 PolarHBondContact O-N 3.34Å; L167-P779 HydrophobicContact CB-CB 4.06Å |
| 168 | F | 93.9 | Very high | 91.1 | Very high | 17 Ų | 17 | 35 Ų | 35 | 8% | 0.075 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.1 | -45.3 | 172.5 | 176.5 | -113.7 | 0 | 0 | 0 | 111 | N164 H165 H166 A171 L172 V425 F776 P779 F780 | N164-F168 VanDerWaalsContact O-CB 3.29Å; N164-F168 WeakPolarHBondContact O-CB 3.48Å; N164-F168 PolarHBondContact O-N 2.87Å; H165-F168 PolarHBondContact O-N 3.48Å; H166-F168 VanDerWaalsContact C-N 3.27Å; H166-F168 PolarHBondContact O-N 2.87Å; F168-A171 WeakPolarHBondContact O-CB 3.48Å; F168-A171 PolarHBondContact O-N 3.47Å; F168-L172 HydrophobicContact CD1-CD1 4.23Å; F168-L172 HydrophobicContact CE1-CD1 3.65Å; F168-L172 HydrophobicContact CE1-CG 4.47Å; F168-L172 HydrophobicContact CE2-CD1 4.27Å; F168-L172 HydrophobicContact CE2-CD2 4.2Å; F168-L172 HydrophobicContact CE2-CG 4.31Å; F168-L172 HydrophobicContact CZ-CD1 3.67Å; F168-L172 HydrophobicContact CZ-CD2 4.22Å; F168-L172 HydrophobicContact CZ-CG 4.2Å; F168-L172 WeakPolarHBondContact O-CG 3.44Å; F168-L172 PolarHBondContact O-N 3.15Å; F168-V425 HydrophobicContact CE1-CG1 4.4Å; F168-F776 AromaticContact CE2-CD2 3.77Å; F168-F776 HydrophobicContact CE2-CD2 3.77Å; F168-F776 AromaticContact CE2-CE2 3.54Å; F168-F776 HydrophobicContact CE2-CE2 3.54Å; F168-F776 HydrophobicContact CE2-CG 4.39Å; F168-F776 AromaticContact CE2-CZ 3.95Å; F168-F776 HydrophobicContact CE2-CZ 3.95Å; F168-F776 AromaticContact CZ-CE2 3.91Å; F168-F776 HydrophobicContact CZ-CE2 3.91Å; F168-F776 HydrophobicContact CZ-CZ 4.23Å; F168-P779 HydrophobicContact CB-CB 4.06Å; F168-P779 HydrophobicContact CB-CG 4.31Å; F168-F780 HydrophobicContact CD1-CD2 4.44Å; F168-F780 HydrophobicContact CD2-CB 3.86Å; F168-F780 HydrophobicContact CD2-CD2 4.11Å; F168-F780 HydrophobicContact CD2-CG 4.49Å; F168-F780 AromaticContact CE1-CD2 3.99Å; F168-F780 HydrophobicContact CE1-CD2 3.99Å; F168-F780 HydrophobicContact CE1-CE2 4.48Å; F168-F780 HydrophobicContact CE2-CB 3.94Å; F168-F780 AromaticContact CE2-CD2 3.62Å; F168-F780 HydrophobicContact CE2-CD2 3.62Å; F168-F780 HydrophobicContact CE2-CG 4.19Å; F168-F780 HydrophobicContact CG-CD2 4.49Å; F168-F780 AromaticContact CZ-CD2 3.56Å; F168-F780 HydrophobicContact CZ-CD2 3.56Å; F168-F780 HydrophobicContact CZ-CE2 4.13Å |
| 169 | H | 91.2 | Very high | 90.7 | Very high | 22 Ų | 22 | 35.5 Ų | 35.5 | 10% | 0.102 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.3 | -47.6 | 173.9 | 175.1 | -89.8 | 0 | 0 | 0 | 112.4 | H165 H166 A171 L172 V173 L426 | H165-H169 PolarHBondContact O-N 3.37Å; H166-H169 WeakPolarHBondContact O-CB 3.35Å; H166-H169 PolarHBondContact O-N 3.48Å; H166-H169 VanDerWaalsContact O-N 3.13Å; H169-A171 VanDerWaalsContact C-N 3.25Å; H169-A171 PolarHBondContact O-N 2.92Å; H169-L172 PolarHBondContact O-N 3.45Å; H169-V173 PolarHBondContact O-N 2.79Å; H169-V173 VanDerWaalsContact O-N 3.12Å; H169-L426 HydrophobicContact CB-CD1 3.95Å |
| 170 | E | 90.1 | Very high | 90.4 | Very high | 46 Ų | 46 | 32.1 Ų | 32.1 | 22% | 0.215 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.3 | -37.8 | 176.2 | -69.6 | -53.7 | 128.1 | 0 | 0 | 112 | T34 H166 L167 L172 V173 S174 I179 | T34-E170 HydrophobicContact CG2-CB 4.16Å; T34-E170 HydrophobicContact CG2-CG 4.13Å; H166-E170 IonicContact CE1-OE1 2.6Å; H166-E170 PolarHBondContact CE1-OE1 3.29Å; H166-E170 VanDerWaalsContact CE1-OE1 3.24Å; H166-E170 IonicContact ND1-OE1 3.58Å; H166-E170 WeakPolarHBondContact O-CG 3.25Å; H166-E170 PolarHBondContact O-N 3.37Å; L167-E170 PolarHBondContact O-N 2.84Å; E170-L172 PolarHBondContact O-N 3.32Å; E170-V173 PolarHBondContact O-N 3.17Å; E170-S174 WeakPolarHBondContact O-CB 3.31Å; E170-S174 PolarHBondContact O-N 2.99Å; E170-I179 HydrophobicContact CB-CG2 3.98Å |
| 171 | A | 90.4 | Very high | 90.2 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.3 | -26.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L167 F168 H169 I179 G180 A181 T775 | L167-A171 WeakPolarHBondContact O-CB 3.43Å; L167-A171 PolarHBondContact O-N 3.34Å; F168-A171 WeakPolarHBondContact O-CB 3.48Å; F168-A171 PolarHBondContact O-N 3.47Å; H169-A171 VanDerWaalsContact C-N 3.25Å; H169-A171 PolarHBondContact O-N 2.92Å; A171-I179 WeakPolarHBondContact CA-O 2.86Å; A171-G180 CarbonylContact O-C 3.6Å; A171-G180 WeakPolarHBondContact O-CA 2.97Å; A171-A181 WeakPolarHBondContact O-CB 3.47Å; A171-A181 PolarHBondContact O-N 2.83Å; A171-T775 HydrophobicContact CB-CG2 4.06Å; A171-T775 WeakPolarHBondContact CB-O 3.24Å |
| 172 | L | 87.1 | Confident | 89.6 | Confident | 10 Ų | 10 | 31.5 Ų | 31.5 | 5% | 0.052 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -86.6 | -26 | 178 | -62.8 | 178.5 | 0 | 0 | 0 | 113.7 | L16 F168 H169 E170 F182 Y418 V422 F776 | L16-L172 HydrophobicContact CD2-CD2 4.47Å; F168-L172 HydrophobicContact CD1-CD1 4.23Å; F168-L172 HydrophobicContact CE1-CD1 3.65Å; F168-L172 HydrophobicContact CE1-CG 4.47Å; F168-L172 HydrophobicContact CE2-CD1 4.27Å; F168-L172 HydrophobicContact CE2-CD2 4.2Å; F168-L172 HydrophobicContact CE2-CG 4.31Å; F168-L172 HydrophobicContact CZ-CD1 3.67Å; F168-L172 HydrophobicContact CZ-CD2 4.22Å; F168-L172 HydrophobicContact CZ-CG 4.2Å; F168-L172 WeakPolarHBondContact O-CG 3.44Å; F168-L172 PolarHBondContact O-N 3.15Å; H169-L172 PolarHBondContact O-N 3.45Å; E170-L172 PolarHBondContact O-N 3.32Å; L172-F182 HydrophobicContact CB-CE2 4.3Å; L172-F182 HydrophobicContact CD2-CE2 3.51Å; L172-F182 HydrophobicContact CD2-CZ 3.93Å; L172-F182 HydrophobicContact CG-CE2 4.49Å; L172-F182 WeakPolarHBondContact O-CD2 3.38Å; L172-Y418 PolarHBondContact O-OH 3.4Å; L172-V422 HydrophobicContact CB-CG1 4.05Å; L172-V422 HydrophobicContact CD1-CG1 4.02Å; L172-V422 HydrophobicContact CD1-CG2 4.29Å; L172-F776 HydrophobicContact CD2-CD2 3.69Å; L172-F776 HydrophobicContact CD2-CE2 3.64Å |
| 173 | V | 83.6 | Confident | 89.2 | Confident | 44 Ų | 44 | 28.2 Ų | 28.2 | 27% | 0.267 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -109.4 | -30.4 | -170.4 | -179.2 | 0 | 0 | 0 | 0 | 113.1 | H169 E170 L419 V422 | H169-V173 PolarHBondContact O-N 2.79Å; H169-V173 VanDerWaalsContact O-N 3.12Å; E170-V173 PolarHBondContact O-N 3.17Å; V173-L419 HydrophobicContact CG1-CD1 4.3Å; V173-L419 HydrophobicContact CG2-CD1 4.33Å; V173-V422 HydrophobicContact CG2-CG1 3.68Å |
| 174 | S | 85.1 | Confident | 88.9 | Confident | 15 Ų | 15 | 27.7 Ų | 27.7 | 11% | 0.105 | 13% | 0.132 | C | C | . | . | trans | -66 | 137.6 | -172.5 | -175.4 | 0 | 0 | 0 | 0 | 113.2 | E170 D176 G180 S183 | E170-S174 WeakPolarHBondContact O-CB 3.31Å; E170-S174 PolarHBondContact O-N 2.99Å; S174-D176 PolarHBondContact OG-N 3.12Å; S174-G180 WeakPolarHBondContact O-CA 3.47Å; S174-S183 PolarHBondContact O-OG 3.48Å | ||
| 175 | R | 78.5 | Confident | 88.6 | Confident | 62 Ų | 62 | 28.4 Ų | 28.4 | 23% | 0.234 | 14% | 0.138 | C | C | . | . | trans | -82.7 | -23.3 | 173.2 | -74.6 | -145.2 | -167.8 | 85.6 | 58.8 | 114.2 | C21 S23 P177 S183 | C21-R175 VanDerWaalsContact C-NE 3.31Å; C21-R175 PolarHBondContact O-NE 3.29Å; C21-R175 PolarHBondContact O-NH2 3.4Å; C21-R175 VanDerWaalsContact O-NH2 3.12Å; S23-R175 VanDerWaalsContact C-NH1 3.28Å; S23-R175 PolarHBondContact O-NH1 3.24Å; S23-R175 PolarHBondContact OG-NH2 2.57Å; R175-P177 VanDerWaalsContact O-CD 3.3Å; R175-P177 WeakPolarHBondContact O-CD 3.49Å; R175-S183 WeakPolarHBondContact O-CB 3.21Å; R175-S183 PolarHBondContact O-OG 3.42Å | ||
| 176 | D | 85.9 | Confident | 88.2 | Confident | 20 Ų | 20 | 29.7 Ų | 29.7 | 11% | 0.107 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -69.3 | 117.7 | 179 | -169.9 | -34.9 | 0 | 0 | 0 | 108.6 | T31 S174 R178 I179 G180 S183 | T31-D176 HydrophobicContact CG2-CB 4.46Å; T31-D176 WeakPolarHBondContact CG2-OD2 3.14Å; S174-D176 PolarHBondContact OG-N 3.12Å; D176-R178 PolarHBondContact O-N 2.67Å; D176-R178 WeakPolarHBondContact OD1-CB 3.49Å; D176-R178 WeakPolarHBondContact OD1-CG 3.47Å; D176-R178 IonicContact OD1-CZ 2.79Å; D176-R178 PolarHBondContact OD1-N 3.44Å; D176-R178 IonicContact OD1-NE 3.56Å; D176-R178 PolarHBondContact OD1-NE 2.9Å; D176-R178 IonicContact OD2-CZ 2.74Å; D176-R178 IonicContact OD2-NE 2.66Å; D176-R178 PolarHBondContact OD2-NE 2.78Å; D176-R178 IonicContact OD2-NH2 3.58Å; D176-R178 PolarHBondContact OD2-NH2 3.42Å; D176-I179 PolarHBondContact O-N 3.37Å; D176-G180 PolarHBondContact O-N 2.84Å; D176-S183 PolarHBondContact O-OG 3.05Å |
| 177 | P | 87.5 | Confident | 88.1 | Confident | 44 Ų | 44 | 28.4 Ų | 28.4 | 29% | 0.286 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -8.1 | -179.6 | 28.4 | -36.9 | 0 | 0 | 0 | 113.6 | R175 I179 S183 Q184 L187 | R175-P177 VanDerWaalsContact O-CD 3.3Å; R175-P177 WeakPolarHBondContact O-CD 3.49Å; P177-I179 VanDerWaalsContact C-N 3.32Å; P177-S183 WeakPolarHBondContact CA-OG 3.21Å; P177-Q184 HydrophobicContact CB-CB 4.27Å; P177-Q184 WeakPolarHBondContact O-CB 3.33Å; P177-L187 HydrophobicContact CB-CD2 3.75Å; P177-L187 HydrophobicContact CG-CD2 3.8Å |
| 178 | R | 89.5 | Confident | 88 | Confident | 132 Ų | 132 | 28.4 Ų | 28.4 | 50% | 0.498 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -25.1 | 170.8 | -61.3 | 177.3 | -73.1 | -157.3 | 5.9 | 112.4 | D28 L35 R38 D176 | D28-R178 IonicContact OD1-NH2 3.53Å; L35-R178 HydrophobicContact CD1-CB 4.42Å; L35-R178 HydrophobicContact CD2-CB 4.4Å; R38-R178 PolarHBondContact NH1-O 3.46Å; D176-R178 PolarHBondContact O-N 2.67Å; D176-R178 WeakPolarHBondContact OD1-CB 3.49Å; D176-R178 WeakPolarHBondContact OD1-CG 3.47Å; D176-R178 IonicContact OD1-CZ 2.79Å; D176-R178 PolarHBondContact OD1-N 3.44Å; D176-R178 IonicContact OD1-NE 3.56Å; D176-R178 PolarHBondContact OD1-NE 2.9Å; D176-R178 IonicContact OD2-CZ 2.74Å; D176-R178 IonicContact OD2-NE 2.66Å; D176-R178 PolarHBondContact OD2-NE 2.78Å; D176-R178 IonicContact OD2-NH2 3.58Å; D176-R178 PolarHBondContact OD2-NH2 3.42Å |
| 179 | I | 88.5 | Confident | 87.8 | Confident | 11 Ų | 11 | 28.4 Ų | 28.4 | 6% | 0.056 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -46.5 | -175.6 | -59.5 | 170.8 | 0 | 0 | 0 | 111.2 | T31 T34 L35 E170 A171 D176 P177 T775 | T31-I179 HydrophobicContact CG2-CD1 3.51Å; T31-I179 HydrophobicContact CG2-CG1 4.27Å; T34-I179 HydrophobicContact CG2-CD1 3.92Å; T34-I179 HydrophobicContact CG2-CG1 4.37Å; T34-I179 HydrophobicContact CG2-CG2 3.86Å; L35-I179 HydrophobicContact CD2-CG1 3.96Å; L35-I179 HydrophobicContact CG-CD1 4.42Å; L35-I179 HydrophobicContact CG-CG1 4.14Å; E170-I179 HydrophobicContact CB-CG2 3.98Å; A171-I179 WeakPolarHBondContact CA-O 2.86Å; D176-I179 PolarHBondContact O-N 3.37Å; P177-I179 VanDerWaalsContact C-N 3.32Å; I179-T775 WeakPolarHBondContact O-CG2 3.43Å |
| 180 | G | 88.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -77.8 | 125.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A171 S174 D176 S183 Q184 | A171-G180 CarbonylContact O-C 3.6Å; A171-G180 WeakPolarHBondContact O-CA 2.97Å; S174-G180 WeakPolarHBondContact O-CA 3.47Å; D176-G180 PolarHBondContact O-N 2.84Å; G180-S183 WeakPolarHBondContact CA-OG 3.19Å; G180-S183 PolarHBondContact O-OG 3.33Å; G180-Q184 WeakPolarHBondContact O-CB 3.15Å; G180-Q184 PolarHBondContact O-N 3.41Å | ||
| 181 | A | 89.3 | Confident | 87.8 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 2% | 0.017 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.7 | -45.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | A171 Q184 A185 S771 T775 F776 | A171-A181 WeakPolarHBondContact O-CB 3.47Å; A171-A181 PolarHBondContact O-N 2.83Å; A181-Q184 PolarHBondContact O-N 3.49Å; A181-A185 WeakPolarHBondContact O-CB 3.47Å; A181-A185 PolarHBondContact O-N 2.85Å; A181-S771 PolarHBondContact O-OG 3.35Å; A181-T775 HydrophobicContact CB-CG2 3.95Å; A181-F776 HydrophobicContact CB-CB 3.93Å |
| 182 | F | 84.2 | Confident | 87.8 | Confident | 21 Ų | 21 | 32.9 Ų | 32.9 | 9% | 0.092 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -73.6 | -38.9 | -176.3 | -60.3 | -59.8 | 0 | 0 | 0 | 113.5 | L16 I18 V20 L172 Q184 A185 N186 Y418 | L16-F182 HydrophobicContact CD2-CZ 4.16Å; I18-F182 HydrophobicContact CB-CD1 4.23Å; I18-F182 HydrophobicContact CB-CE1 4.21Å; I18-F182 HydrophobicContact CD1-CE1 4.38Å; I18-F182 HydrophobicContact CG1-CD1 3.97Å; I18-F182 HydrophobicContact CG1-CE1 3.54Å; I18-F182 HydrophobicContact CG1-CZ 4.07Å; I18-F182 HydrophobicContact CG2-CB 3.93Å; I18-F182 HydrophobicContact CG2-CD1 3.21Å; I18-F182 HydrophobicContact CG2-CD2 4.16Å; I18-F182 HydrophobicContact CG2-CE1 3.66Å; I18-F182 HydrophobicContact CG2-CG 3.49Å; I18-F182 VanDerWaalsContact CG2-CG 3.49Å; I18-F182 HydrophobicContact CG2-CZ 4.28Å; V20-F182 HydrophobicContact CG2-CB 4.16Å; L172-F182 HydrophobicContact CB-CE2 4.3Å; L172-F182 HydrophobicContact CD2-CE2 3.51Å; L172-F182 HydrophobicContact CD2-CZ 3.93Å; L172-F182 HydrophobicContact CG-CE2 4.49Å; L172-F182 WeakPolarHBondContact O-CD2 3.38Å; F182-Q184 VanDerWaalsContact C-N 3.33Å; F182-A185 PolarHBondContact O-N 2.89Å; F182-N186 WeakPolarHBondContact O-CB 3.33Å; F182-N186 PolarHBondContact O-N 3.45Å; F182-Y418 WeakPolarHBondContact CE2-OH 3.08Å |
| 183 | S | 86 | Confident | 87.8 | Confident | 11 Ų | 11 | 33.3 Ų | 33.3 | 8% | 0.077 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.8 | -40.3 | 172.3 | 53.1 | 0 | 0 | 0 | 0 | 111.3 | S174 R175 D176 P177 G180 N186 L187 | S174-S183 PolarHBondContact O-OG 3.48Å; R175-S183 WeakPolarHBondContact O-CB 3.21Å; R175-S183 PolarHBondContact O-OG 3.42Å; D176-S183 PolarHBondContact O-OG 3.05Å; P177-S183 WeakPolarHBondContact CA-OG 3.21Å; G180-S183 WeakPolarHBondContact CA-OG 3.19Å; G180-S183 PolarHBondContact O-OG 3.33Å; S183-N186 PolarHBondContact O-N 2.97Å; S183-L187 WeakPolarHBondContact O-CB 3.4Å; S183-L187 PolarHBondContact O-N 3.05Å |
| 184 | Q | 90.3 | Very high | 88.1 | Confident | 25 Ų | 25 | 36.6 Ų | 36.6 | 12% | 0.117 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.8 | -41.7 | 172.9 | -169.3 | 177.8 | 13.9 | 0 | 0 | 112.3 | P177 G180 A181 F182 L187 S188 R767 T775 | P177-Q184 HydrophobicContact CB-CB 4.27Å; P177-Q184 WeakPolarHBondContact O-CB 3.33Å; G180-Q184 WeakPolarHBondContact O-CB 3.15Å; G180-Q184 PolarHBondContact O-N 3.41Å; A181-Q184 PolarHBondContact O-N 3.49Å; F182-Q184 VanDerWaalsContact C-N 3.33Å; Q184-L187 PolarHBondContact O-N 3.46Å; Q184-S188 WeakPolarHBondContact O-CB 3.32Å; Q184-S188 PolarHBondContact O-N 3.42Å; Q184-R767 HydrophobicContact CG-CG 3.69Å; Q184-T775 PolarHBondContact OE1-OG1 3.26Å |
| 185 | A | 88.4 | Confident | 88.3 | Confident | 15 Ų | 15 | 36.1 Ų | 36.1 | 12% | 0.124 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.6 | -48.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | A181 F182 L187 S188 L189 I406 | A181-A185 WeakPolarHBondContact O-CB 3.47Å; A181-A185 PolarHBondContact O-N 2.85Å; F182-A185 PolarHBondContact O-N 2.89Å; A185-L187 VanDerWaalsContact C-N 3.33Å; A185-L187 PolarHBondContact O-N 3.14Å; A185-S188 WeakPolarHBondContact O-CB 3.47Å; A185-S188 PolarHBondContact O-N 2.95Å; A185-S188 VanDerWaalsContact O-N 3.09Å; A185-S188 PolarHBondContact O-OG 3.46Å; A185-L189 WeakPolarHBondContact O-CG 3.31Å; A185-L189 PolarHBondContact O-N 3.24Å; A185-I406 HydrophobicContact CB-CD1 4.3Å |
| 186 | N | 87.3 | Confident | 88.6 | Confident | 36 Ų | 36 | 33.9 Ų | 33.9 | 19% | 0.193 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58 | -45.9 | 177.7 | -174.1 | 35.3 | 0 | 0 | 0 | 111.8 | F182 S183 S188 L189 I190 I406 | F182-N186 WeakPolarHBondContact O-CB 3.33Å; F182-N186 PolarHBondContact O-N 3.45Å; S183-N186 PolarHBondContact O-N 2.97Å; N186-S188 VanDerWaalsContact C-N 3.32Å; N186-S188 PolarHBondContact O-N 2.81Å; N186-L189 PolarHBondContact O-N 3.04Å; N186-L189 VanDerWaalsContact O-N 3.14Å; N186-I190 WeakPolarHBondContact O-CG1 3.38Å; N186-I190 PolarHBondContact O-N 3.45Å; N186-I406 HydrophobicContact CB-CG2 4.13Å |
| 187 | L | 89.9 | Confident | 88.7 | Confident | 51 Ų | 51 | 37.9 Ų | 37.9 | 27% | 0.267 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.3 | -43 | 175.2 | 180 | 58.5 | 0 | 0 | 0 | 111.7 | P177 S183 Q184 A185 L189 I190 E191 R767 | P177-L187 HydrophobicContact CB-CD2 3.75Å; P177-L187 HydrophobicContact CG-CD2 3.8Å; S183-L187 WeakPolarHBondContact O-CB 3.4Å; S183-L187 PolarHBondContact O-N 3.05Å; Q184-L187 PolarHBondContact O-N 3.46Å; A185-L187 VanDerWaalsContact C-N 3.33Å; A185-L187 PolarHBondContact O-N 3.14Å; L187-L189 VanDerWaalsContact C-N 3.29Å; L187-L189 PolarHBondContact O-N 3.24Å; L187-I190 PolarHBondContact O-N 2.97Å; L187-E191 HydrophobicContact CD1-CG 4.29Å; L187-E191 WeakPolarHBondContact O-CG 3.26Å; L187-E191 PolarHBondContact O-N 3.41Å; L187-R767 VanDerWaalsContact CG-NH1 3.27Å |
| 188 | S | 92.5 | Very high | 88.6 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 6% | 0.063 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.8 | -39.1 | 175.7 | 80.1 | 0 | 0 | 0 | 0 | 112.5 | Q184 A185 N186 F192 A764 G768 | Q184-S188 WeakPolarHBondContact O-CB 3.32Å; Q184-S188 PolarHBondContact O-N 3.42Å; A185-S188 WeakPolarHBondContact O-CB 3.47Å; A185-S188 PolarHBondContact O-N 2.95Å; A185-S188 VanDerWaalsContact O-N 3.09Å; A185-S188 PolarHBondContact O-OG 3.46Å; N186-S188 VanDerWaalsContact C-N 3.32Å; N186-S188 PolarHBondContact O-N 2.81Å; S188-F192 WeakPolarHBondContact O-CB 3.26Å; S188-F192 PolarHBondContact O-N 3.28Å; S188-A764 WeakPolarHBondContact CB-O 3.38Å; S188-G768 WeakPolarHBondContact OG-CA 3.4Å |
| 189 | L | 89.7 | Confident | 88.1 | Confident | 18 Ų | 18 | 34 Ų | 34 | 9% | 0.094 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.8 | -35.6 | 179 | -62.5 | 171 | 0 | 0 | 0 | 112 | A185 N186 L187 E193 L399 I402 R403 I406 | A185-L189 WeakPolarHBondContact O-CG 3.31Å; A185-L189 PolarHBondContact O-N 3.24Å; N186-L189 PolarHBondContact O-N 3.04Å; N186-L189 VanDerWaalsContact O-N 3.14Å; L187-L189 VanDerWaalsContact C-N 3.29Å; L187-L189 PolarHBondContact O-N 3.24Å; L189-E193 WeakPolarHBondContact O-CB 3.07Å; L189-E193 PolarHBondContact O-N 3.39Å; L189-E193 VanDerWaalsContact O-N 3.13Å; L189-L399 HydrophobicContact CD2-CD2 3.33Å; L189-L399 HydrophobicContact CG-CD2 4.48Å; L189-I402 HydrophobicContact CD1-CB 4.33Å; L189-I402 HydrophobicContact CD1-CG2 3.74Å; L189-I402 HydrophobicContact CD2-CG2 4.32Å; L189-R403 HydrophobicContact CD1-CB 4.19Å; L189-R403 PolarHBondContact O-NH2 3.02Å; L189-I406 HydrophobicContact CD1-CD1 3.5Å |
| 190 | I | 88.8 | Confident | 87.7 | Confident | 74 Ų | 74 | 33.9 Ų | 33.9 | 38% | 0.379 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66.7 | -52.3 | 176.5 | -67.5 | 166.9 | 0 | 0 | 0 | 109.8 | N186 L187 F192 E193 E194 | N186-I190 WeakPolarHBondContact O-CG1 3.38Å; N186-I190 PolarHBondContact O-N 3.45Å; L187-I190 PolarHBondContact O-N 2.97Å; I190-F192 VanDerWaalsContact C-N 3.28Å; I190-F192 PolarHBondContact O-N 3.27Å; I190-E193 PolarHBondContact O-N 3.15Å; I190-E194 PolarHBondContact O-N 3.29Å |
| 191 | E | 92.4 | Very high | 87.2 | Confident | 51 Ų | 51 | 38.3 Ų | 38.3 | 24% | 0.238 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.2 | -35 | 179.2 | -69.6 | -178.7 | 154.3 | 0 | 0 | 112.3 | L187 E194 A195 A764 R767 | L187-E191 HydrophobicContact CD1-CG 4.29Å; L187-E191 WeakPolarHBondContact O-CG 3.26Å; L187-E191 PolarHBondContact O-N 3.41Å; E191-E194 PolarHBondContact O-N 2.91Å; E191-A195 VanDerWaalsContact O-CB 3.25Å; E191-A195 WeakPolarHBondContact O-CB 3.08Å; E191-A195 PolarHBondContact O-N 3.29Å; E191-A764 HydrophobicContact CB-CB 3.73Å; E191-R767 VanDerWaalsContact CD-NH2 3.28Å; E191-R767 IonicContact OE1-CZ 3.46Å; E191-R767 IonicContact OE1-NH1 2.65Å; E191-R767 PolarHBondContact OE1-NH1 3.3Å; E191-R767 IonicContact OE1-NH2 3.73Å; E191-R767 PolarHBondContact OE1-NH2 3.28Å; E191-R767 IonicContact OE2-CZ 2.93Å; E191-R767 IonicContact OE2-NE 2.68Å; E191-R767 PolarHBondContact OE2-NE 3.18Å; E191-R767 IonicContact OE2-NH1 3.16Å; E191-R767 PolarHBondContact OE2-NH1 2.92Å; E191-R767 IonicContact OE2-NH2 3.24Å; E191-R767 PolarHBondContact OE2-NH2 3.34Å |
| 192 | F | 90.8 | Very high | 86.6 | Confident | 39 Ų | 39 | 41.6 Ų | 41.6 | 17% | 0.171 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.4 | -41.7 | 176.7 | -164.9 | -80.3 | 0 | 0 | 0 | 111 | S188 I190 L196 V395 L399 L761 A764 A765 | S188-F192 WeakPolarHBondContact O-CB 3.26Å; S188-F192 PolarHBondContact O-N 3.28Å; I190-F192 VanDerWaalsContact C-N 3.28Å; I190-F192 PolarHBondContact O-N 3.27Å; F192-L196 HydrophobicContact CD1-CD1 3.86Å; F192-L196 HydrophobicContact CD1-CG 4.17Å; F192-L196 HydrophobicContact CE1-CD1 3.68Å; F192-L196 HydrophobicContact CE1-CG 4.07Å; F192-L196 WeakPolarHBondContact O-CG 3.22Å; F192-L196 PolarHBondContact O-N 3.34Å; F192-V395 HydrophobicContact CD1-CG1 4.36Å; F192-V395 HydrophobicContact CE1-CG1 3.89Å; F192-L399 HydrophobicContact CD1-CD1 3.82Å; F192-L399 HydrophobicContact CD1-CD2 4.42Å; F192-L761 HydrophobicContact CD1-CD1 4.03Å; F192-L761 HydrophobicContact CD2-CD1 3.64Å; F192-L761 HydrophobicContact CD2-CG 4.45Å; F192-L761 HydrophobicContact CE1-CD1 3.85Å; F192-L761 HydrophobicContact CE2-CD1 3.43Å; F192-L761 VanDerWaalsContact CE2-CD1 3.43Å; F192-L761 HydrophobicContact CE2-CG 4Å; F192-L761 HydrophobicContact CG-CD1 3.95Å; F192-L761 HydrophobicContact CZ-CD1 3.56Å; F192-L761 HydrophobicContact CZ-CG 4.33Å; F192-A764 HydrophobicContact CB-CB 3.88Å; F192-A764 HydrophobicContact CD2-CB 4.18Å; F192-A765 HydrophobicContact CD2-CB 4.28Å; F192-A765 HydrophobicContact CE2-CB 4.08Å |
| 193 | E | 88.2 | Confident | 86.1 | Confident | 20 Ų | 20 | 40.6 Ų | 40.6 | 9% | 0.093 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.7 | -40.9 | 175 | -169.9 | -173.5 | 160.1 | 0 | 0 | 111.7 | L189 I190 L196 K197 L399 R403 | L189-E193 WeakPolarHBondContact O-CB 3.07Å; L189-E193 PolarHBondContact O-N 3.39Å; L189-E193 VanDerWaalsContact O-N 3.13Å; I190-E193 PolarHBondContact O-N 3.15Å; E193-L196 PolarHBondContact O-N 3.21Å; E193-K197 WeakPolarHBondContact O-CG 3.4Å; E193-K197 PolarHBondContact O-N 3.43Å; E193-K197 WeakPolarHBondContact OE1-CE 3.32Å; E193-K197 IonicContact OE1-NZ 3.23Å; E193-K197 PolarHBondContact OE1-NZ 2.97Å; E193-L399 HydrophobicContact CB-CD1 4.17Å; E193-R403 IonicContact OE2-CZ 2.77Å; E193-R403 VanDerWaalsContact OE2-CZ 3.27Å; E193-R403 IonicContact OE2-NH1 3.17Å; E193-R403 PolarHBondContact OE2-NH1 3.49Å; E193-R403 IonicContact OE2-NH2 3.57Å; E193-R403 PolarHBondContact OE2-NH2 3.26Å |
| 194 | E | 89.6 | Confident | 85.4 | Confident | 112 Ų | 112 | 44.2 Ų | 44.2 | 52% | 0.523 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.1 | -45.6 | 176.7 | -171.1 | 168.2 | -160.5 | 0 | 0 | 111.8 | I190 E191 L196 K197 D198 | I190-E194 PolarHBondContact O-N 3.29Å; E191-E194 PolarHBondContact O-N 2.91Å; E194-L196 VanDerWaalsContact C-N 3.29Å; E194-L196 PolarHBondContact O-N 3.37Å; E194-K197 WeakPolarHBondContact O-CA 3.49Å; E194-K197 WeakPolarHBondContact O-CB 3.26Å; E194-K197 PolarHBondContact O-N 2.93Å; E194-D198 PolarHBondContact O-N 2.93Å |
| 195 | A | 89.1 | Confident | 84.4 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 5% | 0.05 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.2 | -39.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E191 D198 M199 L761 | E191-A195 VanDerWaalsContact O-CB 3.25Å; E191-A195 WeakPolarHBondContact O-CB 3.08Å; E191-A195 PolarHBondContact O-N 3.29Å; A195-D198 PolarHBondContact O-N 3Å; A195-M199 WeakPolarHBondContact O-CB 3.49Å; A195-M199 VanDerWaalsContact O-CG 3.24Å; A195-M199 WeakPolarHBondContact O-CG 3.38Å; A195-M199 PolarHBondContact O-N 3.12Å; A195-L761 HydrophobicContact CB-CB 4.14Å; A195-L761 HydrophobicContact CB-CD1 4.13Å |
| 196 | L | 85.2 | Confident | 83.2 | Confident | 15 Ų | 15 | 47.8 Ų | 47.8 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.6 | -38.2 | 173.1 | -74.7 | 179.8 | 0 | 0 | 0 | 112.4 | F192 E193 E194 M199 V200 M392 V395 L761 | F192-L196 HydrophobicContact CD1-CD1 3.86Å; F192-L196 HydrophobicContact CD1-CG 4.17Å; F192-L196 HydrophobicContact CE1-CD1 3.68Å; F192-L196 HydrophobicContact CE1-CG 4.07Å; F192-L196 WeakPolarHBondContact O-CG 3.22Å; F192-L196 PolarHBondContact O-N 3.34Å; E193-L196 PolarHBondContact O-N 3.21Å; E194-L196 VanDerWaalsContact C-N 3.29Å; E194-L196 PolarHBondContact O-N 3.37Å; L196-M199 HydrophobicContact CD2-SD 4.34Å; L196-M199 PolarHBondContact O-N 2.96Å; L196-V200 PolarHBondContact O-N 3.45Å; L196-M392 HydrophobicContact CB-CE 4.09Å; L196-M392 WeakPolarHBondContact O-CE 3.43Å; L196-V395 HydrophobicContact CD1-CB 4.05Å; L196-V395 HydrophobicContact CD1-CG1 3.56Å; L196-L761 HydrophobicContact CD2-CD1 4.06Å; L196-L761 HydrophobicContact CG-CD1 4.13Å |
| 197 | K | 86.5 | Confident | 81.5 | Confident | 103 Ų | 103 | 50.1 Ų | 50.1 | 45% | 0.448 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 176.4 | -75.3 | 172.2 | -173.5 | 163.1 | 0 | 111.6 | E193 E194 M199 V200 Q201 M392 | E193-K197 WeakPolarHBondContact O-CG 3.4Å; E193-K197 PolarHBondContact O-N 3.43Å; E193-K197 WeakPolarHBondContact OE1-CE 3.32Å; E193-K197 IonicContact OE1-NZ 3.23Å; E193-K197 PolarHBondContact OE1-NZ 2.97Å; E194-K197 WeakPolarHBondContact O-CA 3.49Å; E194-K197 WeakPolarHBondContact O-CB 3.26Å; E194-K197 PolarHBondContact O-N 2.93Å; K197-M199 VanDerWaalsContact C-N 3.34Å; K197-M199 PolarHBondContact O-N 3.23Å; K197-V200 PolarHBondContact O-N 3.3Å; K197-Q201 WeakPolarHBondContact O-CB 3.02Å; K197-Q201 PolarHBondContact O-N 3.48Å; K197-M392 HydrophobicContact CB-CE 4.1Å; K197-M392 HydrophobicContact CG-CE 3.68Å; K197-M392 HydrophobicContact CG-SD 4.21Å; K197-M392 VanDerWaalsContact N-CE 3.35Å |
| 198 | D | 85.3 | Confident | 79.7 | Confident | 91 Ų | 91 | 52.2 Ų | 52.2 | 49% | 0.487 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 176.5 | -71.5 | -11.1 | 0 | 0 | 0 | 111.6 | E194 A195 Q201 M202 | E194-D198 PolarHBondContact O-N 2.93Å; A195-D198 PolarHBondContact O-N 3Å; D198-Q201 PolarHBondContact O-N 3.49Å; D198-M202 VanDerWaalsContact O-CB 3.3Å; D198-M202 WeakPolarHBondContact O-CB 3.34Å; D198-M202 PolarHBondContact O-N 2.87Å |
| 199 | M | 80.8 | Confident | 78 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.015 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 174.7 | -75.4 | 175.5 | 169.9 | 0 | 0 | 112.4 | A195 L196 K197 M202 A203 F581 I756 P757 C758 L761 | A195-M199 WeakPolarHBondContact O-CB 3.49Å; A195-M199 VanDerWaalsContact O-CG 3.24Å; A195-M199 WeakPolarHBondContact O-CG 3.38Å; A195-M199 PolarHBondContact O-N 3.12Å; L196-M199 HydrophobicContact CD2-SD 4.34Å; L196-M199 PolarHBondContact O-N 2.96Å; K197-M199 VanDerWaalsContact C-N 3.34Å; K197-M199 PolarHBondContact O-N 3.23Å; M199-M202 PolarHBondContact O-N 3.4Å; M199-A203 VanDerWaalsContact O-CB 3.26Å; M199-A203 WeakPolarHBondContact O-CB 3.42Å; M199-A203 PolarHBondContact O-N 3.01Å; M199-F581 HydrophobicContact CE-CB 4.27Å; M199-F581 HydrophobicContact CE-CD2 3.76Å; M199-F581 HydrophobicContact CE-CE2 4.42Å; M199-F581 HydrophobicContact CE-CG 4.24Å; M199-F581 HydrophobicContact SD-CD2 4.11Å; M199-F581 HydrophobicContact SD-CE2 4.36Å; M199-F581 HydrophobicContact SD-CG 4.47Å; M199-I756 HydrophobicContact CB-CG2 4.15Å; M199-I756 HydrophobicContact CG-CG2 3.86Å; M199-P757 WeakPolarHBondContact CE-O 2.96Å; M199-C758 HydrophobicContact CE-CB 4.28Å; M199-L761 HydrophobicContact CE-CB 3.5Å; M199-L761 VanDerWaalsContact CE-CB 3.5Å; M199-L761 HydrophobicContact CE-CD2 3.64Å; M199-L761 HydrophobicContact CE-CG 4.13Å; M199-L761 HydrophobicContact SD-CB 4.43Å; M199-L761 HydrophobicContact SD-CD2 3.97Å |
| 200 | V | 78.6 | Confident | 76.8 | Confident | 9 Ų | 9 | 58 Ų | 58 | 6% | 0.055 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 175.9 | 167.5 | 0 | 0 | 0 | 0 | 111 | L196 K197 M202 A203 K204 F388 E389 M392 | L196-V200 PolarHBondContact O-N 3.45Å; K197-V200 PolarHBondContact O-N 3.3Å; V200-M202 VanDerWaalsContact C-N 3.33Å; V200-M202 PolarHBondContact O-N 3.05Å; V200-A203 WeakPolarHBondContact O-CB 3.39Å; V200-A203 PolarHBondContact O-N 3.46Å; V200-K204 HydrophobicContact CG1-CD 4.44Å; V200-K204 WeakPolarHBondContact O-CG 3.29Å; V200-K204 PolarHBondContact O-N 3.46Å; V200-F388 HydrophobicContact CG2-CB 3.55Å; V200-E389 HydrophobicContact CG1-CG 3.88Å; V200-M392 HydrophobicContact CB-CE 3.74Å; V200-M392 HydrophobicContact CG1-CE 4.48Å; V200-M392 HydrophobicContact CG2-CE 3.34Å; V200-M392 HydrophobicContact CG2-SD 4.33Å |
| 201 | Q | 79.2 | Confident | 75.8 | Confident | 93 Ų | 93 | 55.6 Ų | 55.6 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.7 | -38.7 | -179.3 | -171.8 | 57.2 | 48.7 | 0 | 0 | 111.2 | K197 D198 K204 N205 | K197-Q201 WeakPolarHBondContact O-CB 3.02Å; K197-Q201 PolarHBondContact O-N 3.48Å; D198-Q201 PolarHBondContact O-N 3.49Å; Q201-K204 PolarHBondContact O-N 2.84Å; Q201-N205 PolarHBondContact NE2-ND2 3.22Å; Q201-N205 VanDerWaalsContact NE2-ND2 3.2Å; Q201-N205 PolarHBondContact NE2-OD1 3.31Å; Q201-N205 VanDerWaalsContact O-CB 3.3Å; Q201-N205 WeakPolarHBondContact O-CB 3.3Å; Q201-N205 PolarHBondContact O-N 2.98Å; Q201-N205 PolarHBondContact O-ND2 2.78Å; Q201-N205 PolarHBondContact O-OD1 3.45Å |
| 202 | M | 76.5 | Confident | 75 | Confident | 71 Ų | 71 | 55.9 Ų | 55.9 | 35% | 0.35 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.6 | -45.8 | 173.8 | -169.8 | 168.1 | -64.3 | 0 | 0 | 111.1 | D198 M199 V200 K204 N205 T206 D755 P757 | D198-M202 VanDerWaalsContact O-CB 3.3Å; D198-M202 WeakPolarHBondContact O-CB 3.34Å; D198-M202 PolarHBondContact O-N 2.87Å; M199-M202 PolarHBondContact O-N 3.4Å; V200-M202 VanDerWaalsContact C-N 3.33Å; V200-M202 PolarHBondContact O-N 3.05Å; M202-K204 PolarHBondContact O-N 2.87Å; M202-K204 VanDerWaalsContact O-N 3.11Å; M202-N205 CarbonylContact O-C 3.58Å; M202-N205 WeakPolarHBondContact O-CA 3.48Å; M202-N205 PolarHBondContact O-N 3.45Å; M202-T206 WeakPolarHBondContact CG-OG1 3.05Å; M202-T206 WeakPolarHBondContact O-CB 3.06Å; M202-T206 PolarHBondContact O-N 3.5Å; M202-T206 PolarHBondContact O-OG1 3.49Å; M202-D755 VanDerWaalsContact SD-O 3.41Å; M202-P757 HydrophobicContact CE-CG 4.01Å; M202-P757 WeakPolarHBondContact SD-CD 2.73Å; M202-P757 HydrophobicContact SD-CG 4.1Å |
| 203 | A | 73.1 | Confident | 74.3 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -51.3 | -36.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | M199 V200 W753 I756 | M199-A203 VanDerWaalsContact O-CB 3.26Å; M199-A203 WeakPolarHBondContact O-CB 3.42Å; M199-A203 PolarHBondContact O-N 3.01Å; V200-A203 WeakPolarHBondContact O-CB 3.39Å; V200-A203 PolarHBondContact O-N 3.46Å; A203-W753 HydrophobicContact CB-CE3 4.45Å; A203-W753 HydrophobicContact CB-CH2 3.24Å; A203-W753 HydrophobicContact CB-CZ2 3.46Å; A203-W753 VanDerWaalsContact CB-CZ2 3.46Å; A203-W753 HydrophobicContact CB-CZ3 3.68Å; A203-I756 HydrophobicContact CB-CD1 4.05Å |
| 204 | K | 71 | Confident | 73.8 | Confident | 87 Ų | 87 | 63.2 Ų | 63.2 | 38% | 0.378 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -73.2 | -39.9 | 173 | -69.4 | 175.7 | -179.4 | -178.3 | 0 | 112.9 | V200 Q201 M202 A385 E389 | V200-K204 HydrophobicContact CG1-CD 4.44Å; V200-K204 WeakPolarHBondContact O-CG 3.29Å; V200-K204 PolarHBondContact O-N 3.46Å; Q201-K204 PolarHBondContact O-N 2.84Å; M202-K204 PolarHBondContact O-N 2.87Å; M202-K204 VanDerWaalsContact O-N 3.11Å; K204-A385 HydrophobicContact CG-CB 3.66Å; K204-E389 WeakPolarHBondContact CE-OE1 3.47Å; K204-E389 IonicContact NZ-OE1 2.81Å; K204-E389 PolarHBondContact NZ-OE1 2.97Å |
| 205 | N | 70.6 | Confident | 73.6 | Confident | 101 Ų | 101 | 60.6 Ų | 60.6 | 54% | 0.54 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -86.4 | -17.5 | -174.1 | -68.8 | -7.6 | 0 | 0 | 0 | 114.2 | Q201 M202 S207 | Q201-N205 PolarHBondContact NE2-ND2 3.22Å; Q201-N205 VanDerWaalsContact NE2-ND2 3.2Å; Q201-N205 PolarHBondContact NE2-OD1 3.31Å; Q201-N205 VanDerWaalsContact O-CB 3.3Å; Q201-N205 WeakPolarHBondContact O-CB 3.3Å; Q201-N205 PolarHBondContact O-N 2.98Å; Q201-N205 PolarHBondContact O-ND2 2.78Å; Q201-N205 PolarHBondContact O-OD1 3.45Å; M202-N205 CarbonylContact O-C 3.58Å; M202-N205 WeakPolarHBondContact O-CA 3.48Å; M202-N205 PolarHBondContact O-N 3.45Å; N205-S207 PolarHBondContact O-N 2.98Å |
| 206 | T | 62.3 | Low | 73.4 | Confident | 14 Ų | 14 | 65.5 Ų | 65.5 | 9% | 0.086 | 34% | 0.341 | C | S | . | . | trans | -67.8 | 96.9 | -177.1 | -58.9 | 0 | 0 | 0 | 0 | 109 | M202 T752 | M202-T206 WeakPolarHBondContact CG-OG1 3.05Å; M202-T206 WeakPolarHBondContact O-CB 3.06Å; M202-T206 PolarHBondContact O-N 3.5Å; M202-T206 PolarHBondContact O-OG1 3.49Å; T206-T752 WeakPolarHBondContact CG2-O 3.23Å | ||
| 207 | S | 50.9 | Low | 73.4 | Confident | 86 Ų | 86 | 70.6 Ų | 70.6 | 60% | 0.601 | 36% | 0.36 | S | S | * | . | trans | -119.1 | 13 | 177.5 | 65.1 | 0 | 0 | 0 | 0 | 112.9 | N205 | N205-S207 PolarHBondContact O-N 2.98Š| ||
| 208 | S | 52.4 | Low | 73.4 | Confident | 94 Ų | 94 | 65.7 Ų | 65.7 | 66% | 0.657 | 34% | 0.338 | S | S | * | . | trans | -131.4 | 12.8 | -161.4 | 69.3 | 0 | 0 | 0 | 0 | 117.2 | D210 | S208-D210 PolarHBondContact O-N 2.82Š| ||
| 209 | T | 57.7 | Low | 73.5 | Confident | 28 Ų | 28 | 63.2 Ų | 63.2 | 17% | 0.172 | 32% | 0.324 | C | S | . | . | trans | -70.2 | 124.2 | 166.5 | 53.2 | 0 | 0 | 0 | 0 | 108.3 | L211 A751 T752 D755 | T209-L211 VanDerWaalsContact C-N 3.31Å; T209-L211 WeakPolarHBondContact O-CD1 3.44Å; T209-L211 PolarHBondContact O-N 3.47Å; T209-A751 WeakPolarHBondContact CG2-O 3.41Å; T209-A751 PolarHBondContact OG1-O 2.67Å; T209-A751 VanDerWaalsContact OG1-O 3.06Å; T209-T752 WeakPolarHBondContact OG1-CA 3.28Å; T209-D755 WeakPolarHBondContact CG2-OD2 3.36Å | ||
| 210 | D | 63.3 | Low | 74 | Confident | 122 Ų | 122 | 69.2 Ų | 69.2 | 65% | 0.652 | 35% | 0.347 | S | S | * | . | trans | -64.4 | 95.6 | 173.1 | 176.9 | 20.4 | 0 | 0 | 0 | 108.6 | S208 S212 | S208-D210 PolarHBondContact O-N 2.82Å; D210-S212 PolarHBondContact O-N 2.96Å; D210-S212 WeakPolarHBondContact OD1-CB 3.47Å; D210-S212 PolarHBondContact OD1-N 3.37Å; D210-S212 PolarHBondContact OD1-OG 3.47Å; D210-S212 PolarHBondContact OD2-OG 3Å | ||
| 211 | L | 69.1 | Low | 74.4 | Confident | 23 Ų | 23 | 70.2 Ų | 70.2 | 12% | 0.12 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 15.1 | 176.7 | -61.2 | 114.8 | 0 | 0 | 0 | 112.2 | T209 K213 Q214 K215 W371 A375 A748 T752 | T209-L211 VanDerWaalsContact C-N 3.31Å; T209-L211 WeakPolarHBondContact O-CD1 3.44Å; T209-L211 PolarHBondContact O-N 3.47Å; L211-K213 VanDerWaalsContact C-N 3.27Å; L211-K213 PolarHBondContact O-N 2.91Å; L211-Q214 PolarHBondContact O-N 3Å; L211-K215 WeakPolarHBondContact O-CB 3.26Å; L211-K215 PolarHBondContact O-N 3.06Å; L211-W371 HydrophobicContact CB-CZ2 3.88Å; L211-A375 HydrophobicContact CD1-CB 4.11Å; L211-A748 HydrophobicContact CD2-CB 4.15Å; L211-A748 WeakPolarHBondContact CD2-O 3.43Å; L211-T752 HydrophobicContact CD1-CG2 4.01Å; L211-T752 HydrophobicContact CD2-CG2 3.79Å; L211-T752 HydrophobicContact CG-CG2 4.45Å |
| 212 | S | 76.1 | Confident | 74.9 | Confident | 56 Ų | 56 | 66 Ų | 66 | 39% | 0.392 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -53.3 | -43.5 | 178.9 | 61.1 | 0 | 0 | 0 | 0 | 112.4 | D210 K215 E216 | D210-S212 PolarHBondContact O-N 2.96Å; D210-S212 WeakPolarHBondContact OD1-CB 3.47Å; D210-S212 PolarHBondContact OD1-N 3.37Å; D210-S212 PolarHBondContact OD1-OG 3.47Å; D210-S212 PolarHBondContact OD2-OG 3Å; S212-K215 WeakPolarHBondContact O-CB 3.13Å; S212-K215 PolarHBondContact O-N 3.37Å; S212-E216 WeakPolarHBondContact O-CB 3.33Å; S212-E216 PolarHBondContact O-N 3.17Å |
| 213 | K | 76 | Confident | 75.6 | Confident | 161 Ų | 161 | 65.1 Ų | 65.1 | 70% | 0.7 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.2 | -43.7 | 178.6 | -69.4 | -179.7 | -179.5 | 173.6 | 0 | 112.2 | L211 K215 E216 R217 | L211-K213 VanDerWaalsContact C-N 3.27Å; L211-K213 PolarHBondContact O-N 2.91Å; K213-K215 VanDerWaalsContact C-N 3.34Å; K213-E216 PolarHBondContact O-N 3.34Å; K213-R217 PolarHBondContact O-N 3.45Å |
| 214 | Q | 77.6 | Confident | 76.4 | Confident | 52 Ų | 52 | 70.1 Ų | 70.1 | 24% | 0.243 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.5 | -35.6 | 177.9 | -71.5 | 76.5 | -5.4 | 0 | 0 | 110.5 | L211 R217 F218 W371 A748 | L211-Q214 PolarHBondContact O-N 3Å; Q214-R217 PolarHBondContact O-N 2.62Å; Q214-F218 WeakPolarHBondContact O-CB 3.27Å; Q214-F218 PolarHBondContact O-N 3.36Å; Q214-W371 HydrophobicContact CB-CH2 3.67Å; Q214-W371 HydrophobicContact CB-CZ2 4.15Å; Q214-A748 HydrophobicContact CB-CB 4.39Å |
| 215 | K | 83.6 | Confident | 77.3 | Confident | 58 Ų | 58 | 66.6 Ų | 66.6 | 25% | 0.252 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 173.2 | -169.9 | 177.2 | -178.7 | 174.6 | 0 | 110.9 | L211 S212 K213 R217 F218 M219 D368 W371 | L211-K215 WeakPolarHBondContact O-CB 3.26Å; L211-K215 PolarHBondContact O-N 3.06Å; S212-K215 WeakPolarHBondContact O-CB 3.13Å; S212-K215 PolarHBondContact O-N 3.37Å; K213-K215 VanDerWaalsContact C-N 3.34Å; K215-R217 VanDerWaalsContact C-N 3.3Å; K215-R217 PolarHBondContact O-N 2.68Å; K215-F218 PolarHBondContact O-N 2.97Å; K215-M219 WeakPolarHBondContact O-CG 3.29Å; K215-M219 PolarHBondContact O-N 3.17Å; K215-D368 VanDerWaalsContact CE-OD1 3.27Å; K215-D368 WeakPolarHBondContact CE-OD1 3.4Å; K215-D368 IonicContact NZ-OD1 3.38Å; K215-D368 PolarHBondContact NZ-OD1 3.31Å; K215-W371 HydrophobicContact CB-CD2 4.08Å; K215-W371 VanDerWaalsContact CB-CE2 3.43Å; K215-W371 HydrophobicContact CB-CH2 4.26Å; K215-W371 HydrophobicContact CB-CZ2 3.52Å; K215-W371 HydrophobicContact CD-CG 4.14Å; K215-W371 HydrophobicContact CG-CD2 3.88Å; K215-W371 HydrophobicContact CG-CG 3.96Å; K215-W371 HydrophobicContact CG-CZ2 4.26Å; K215-W371 VanDerWaalsContact N-CH2 3.32Å |
| 216 | E | 85.8 | Confident | 78.2 | Confident | 109 Ų | 109 | 62 Ų | 62 | 51% | 0.509 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 177.1 | -169 | -164.2 | 145.1 | 0 | 0 | 110.8 | S212 K213 M219 R220 | S212-E216 WeakPolarHBondContact O-CB 3.33Å; S212-E216 PolarHBondContact O-N 3.17Å; K213-E216 PolarHBondContact O-N 3.34Å; E216-M219 PolarHBondContact O-N 2.76Å; E216-R220 WeakPolarHBondContact O-CB 2.93Å; E216-R220 PolarHBondContact O-N 3.32Å; E216-R220 IonicContact OE1-CZ 3.79Å; E216-R220 IonicContact OE1-NH1 3.15Å; E216-R220 IonicContact OE1-NH2 2.94Å; E216-R220 PolarHBondContact OE1-NH2 3.24Å |
| 217 | R | 86 | Confident | 79.6 | Confident | 122 Ų | 122 | 64.8 Ų | 64.8 | 46% | 0.46 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 178.5 | -171.4 | 159.2 | 175 | -133.6 | 13.2 | 112.8 | K213 Q214 K215 R220 I221 E744 | K213-R217 PolarHBondContact O-N 3.45Å; Q214-R217 PolarHBondContact O-N 2.62Å; K215-R217 VanDerWaalsContact C-N 3.3Å; K215-R217 PolarHBondContact O-N 2.68Å; R217-R220 PolarHBondContact O-N 3.12Å; R217-I221 HydrophobicContact CG-CD1 4.48Å; R217-I221 WeakPolarHBondContact O-CG1 3.17Å; R217-I221 PolarHBondContact O-N 2.91Å; R217-E744 WeakPolarHBondContact CD-OE1 3.34Å; R217-E744 HydrophobicContact CG-CG 4.38Å; R217-E744 VanDerWaalsContact CG-OE1 3.25Å; R217-E744 WeakPolarHBondContact CG-OE1 3.36Å; R217-E744 IonicContact CZ-OE1 3.45Å; R217-E744 IonicContact CZ-OE2 2.77Å; R217-E744 IonicContact NE-OE1 4Å; R217-E744 PolarHBondContact NE-OE1 3.06Å; R217-E744 IonicContact NE-OE2 2.75Å; R217-E744 IonicContact NH1-OE1 3.21Å; R217-E744 PolarHBondContact NH1-OE1 3.36Å; R217-E744 IonicContact NH1-OE2 3.59Å; R217-E744 PolarHBondContact NH1-OE2 3.42Å; R217-E744 VanDerWaalsContact NH1-OE2 3.08Å |
| 218 | F | 85.6 | Confident | 81.5 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.5 | -48 | 172.6 | 174.6 | -94.9 | 0 | 0 | 0 | 111.5 | Q214 K215 R220 I221 I222 L367 W371 L606 L741 E744 L745 | Q214-F218 WeakPolarHBondContact O-CB 3.27Å; Q214-F218 PolarHBondContact O-N 3.36Å; K215-F218 PolarHBondContact O-N 2.97Å; F218-R220 PolarHBondContact O-N 3.32Å; F218-I221 PolarHBondContact O-N 3.45Å; F218-I222 HydrophobicContact CE1-CG1 4.45Å; F218-I222 PolarHBondContact O-N 2.9Å; F218-L367 HydrophobicContact CE1-CD2 3.8Å; F218-L367 HydrophobicContact CZ-CD2 3.9Å; F218-W371 HydrophobicContact CB-CE3 3.9Å; F218-W371 HydrophobicContact CB-CH2 4.42Å; F218-W371 HydrophobicContact CB-CZ3 3.58Å; F218-W371 AromaticContact CD1-CE3 3.81Å; F218-W371 HydrophobicContact CD1-CE3 3.81Å; F218-W371 HydrophobicContact CD1-CZ3 4.37Å; F218-W371 HydrophobicContact CD2-CE3 4.18Å; F218-W371 HydrophobicContact CD2-CZ3 4.17Å; F218-W371 HydrophobicContact CE1-CE3 4.38Å; F218-W371 AromaticContact CG-CE3 3.7Å; F218-W371 HydrophobicContact CG-CE3 3.7Å; F218-W371 AromaticContact CG-CZ3 3.8Å; F218-W371 HydrophobicContact CG-CZ3 3.8Å; F218-L606 HydrophobicContact CE2-CD1 4.49Å; F218-L606 HydrophobicContact CZ-CD1 3.94Å; F218-L741 HydrophobicContact CD2-CD2 3.89Å; F218-L741 HydrophobicContact CE2-CD2 3.52Å; F218-L741 HydrophobicContact CZ-CD2 4.19Å; F218-E744 HydrophobicContact CB-CG 4.48Å; F218-L745 HydrophobicContact CD2-CD2 4.15Å; F218-L745 HydrophobicContact CE2-CD2 3.87Å; F218-L745 HydrophobicContact CE2-CG 4.35Å |
| 219 | M | 88.2 | Confident | 83.3 | Confident | 39 Ų | 39 | 58.1 Ų | 58.1 | 19% | 0.192 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.8 | -37.1 | 177.5 | -70 | -60.3 | -156.8 | 0 | 0 | 112.4 | K215 E216 I222 D223 L367 D368 | K215-M219 WeakPolarHBondContact O-CG 3.29Å; K215-M219 PolarHBondContact O-N 3.17Å; E216-M219 PolarHBondContact O-N 2.76Å; M219-I222 WeakPolarHBondContact O-CB 3.1Å; M219-I222 PolarHBondContact O-N 3.13Å; M219-D223 PolarHBondContact O-N 2.86Å; M219-L367 HydrophobicContact CE-CB 4.22Å; M219-L367 HydrophobicContact SD-CB 4.4Å; M219-D368 WeakPolarHBondContact CE-OD1 3.46Å |
| 220 | R | 89.9 | Confident | 84.9 | Confident | 129 Ų | 129 | 58.5 Ų | 58.5 | 49% | 0.487 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 174.9 | -173 | -178.5 | -77.4 | 119.8 | 2.9 | 112.1 | E216 R217 F218 I222 D223 D224 | E216-R220 WeakPolarHBondContact O-CB 2.93Å; E216-R220 PolarHBondContact O-N 3.32Å; E216-R220 IonicContact OE1-CZ 3.79Å; E216-R220 IonicContact OE1-NH1 3.15Å; E216-R220 IonicContact OE1-NH2 2.94Å; E216-R220 PolarHBondContact OE1-NH2 3.24Å; R217-R220 PolarHBondContact O-N 3.12Å; F218-R220 PolarHBondContact O-N 3.32Å; R220-I222 VanDerWaalsContact C-N 3.28Å; R220-I222 PolarHBondContact O-N 3.01Å; R220-D223 PolarHBondContact O-N 3.2Å; R220-D224 PolarHBondContact O-N 2.92Å |
| 221 | I | 88.5 | Confident | 86.2 | Confident | 29 Ų | 29 | 58.8 Ų | 58.8 | 15% | 0.149 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 176.1 | -71.2 | 167.5 | 0 | 0 | 0 | 111.2 | R217 F218 G225 L737 L740 L741 E744 | R217-I221 HydrophobicContact CG-CD1 4.48Å; R217-I221 WeakPolarHBondContact O-CG1 3.17Å; R217-I221 PolarHBondContact O-N 2.91Å; F218-I221 PolarHBondContact O-N 3.45Å; I221-G225 PolarHBondContact O-N 3.34Å; I221-L737 HydrophobicContact CG2-CD2 4.3Å; I221-L740 HydrophobicContact CG2-CB 3.76Å; I221-L740 HydrophobicContact CG2-CD1 4.36Å; I221-L741 HydrophobicContact CG2-CD2 4.04Å; I221-E744 HydrophobicContact CD1-CB 3.91Å; I221-E744 HydrophobicContact CD1-CG 3.91Å |
| 222 | I | 88.8 | Confident | 87.3 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.8 | -48.9 | 174.8 | -66.2 | -70.3 | 0 | 0 | 0 | 110.4 | F218 M219 R220 D224 G225 L226 L367 L737 L741 | F218-I222 HydrophobicContact CE1-CG1 4.45Å; F218-I222 PolarHBondContact O-N 2.9Å; M219-I222 WeakPolarHBondContact O-CB 3.1Å; M219-I222 PolarHBondContact O-N 3.13Å; R220-I222 VanDerWaalsContact C-N 3.28Å; R220-I222 PolarHBondContact O-N 3.01Å; I222-D224 PolarHBondContact O-N 3.39Å; I222-G225 CarbonylContact O-C 3.29Å; I222-G225 WeakPolarHBondContact O-CA 3.42Å; I222-G225 PolarHBondContact O-N 3.41Å; I222-G225 VanDerWaalsContact O-N 3.12Å; I222-L226 HydrophobicContact CG2-CD1 3.92Å; I222-L226 HydrophobicContact CG2-CG 4.15Å; I222-L226 VanDerWaalsContact O-CG 3.29Å; I222-L226 WeakPolarHBondContact O-CG 3.49Å; I222-L226 PolarHBondContact O-N 2.68Å; I222-L367 HydrophobicContact CD1-CD2 3.7Å; I222-L367 HydrophobicContact CG1-CD1 4.41Å; I222-L367 HydrophobicContact CG1-CD2 3.81Å; I222-L367 HydrophobicContact CG2-CD1 3.78Å; I222-L737 HydrophobicContact CD1-CD2 4.36Å; I222-L741 HydrophobicContact CD1-CD1 3.91Å; I222-L741 HydrophobicContact CD1-CD2 3.58Å; I222-L741 HydrophobicContact CD1-CG 4.32Å; I222-L741 HydrophobicContact CG1-CD2 4.03Å |
| 223 | D | 90.5 | Very high | 88.1 | Confident | 52 Ų | 52 | 56.1 Ų | 56.1 | 28% | 0.278 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.3 | -49.5 | -179.5 | -74.1 | -14.3 | 0 | 0 | 0 | 112 | M219 R220 G225 L226 V227 K360 | M219-D223 PolarHBondContact O-N 2.86Å; R220-D223 PolarHBondContact O-N 3.2Å; D223-G225 VanDerWaalsContact C-N 3.29Å; D223-G225 PolarHBondContact O-N 3.12Å; D223-L226 PolarHBondContact O-N 3.41Å; D223-V227 WeakPolarHBondContact O-CG2 3.45Å; D223-V227 PolarHBondContact O-N 2.9Å; D223-K360 VanDerWaalsContact OD1-CD 3.23Å; D223-K360 WeakPolarHBondContact OD1-CD 3.45Å; D223-K360 WeakPolarHBondContact OD1-CE 3.48Å; D223-K360 IonicContact OD1-NZ 2.83Å; D223-K360 PolarHBondContact OD1-NZ 2.87Å; D223-K360 IonicContact OD2-NZ 2.86Å; D223-K360 PolarHBondContact OD2-NZ 2.94Å |
| 224 | D | 90.5 | Very high | 88.8 | Confident | 105 Ų | 105 | 49.4 Ų | 49.4 | 56% | 0.561 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -61.8 | -39.7 | 176.6 | -66.7 | -16.8 | 0 | 0 | 0 | 111.3 | R220 I222 L226 V227 S228 | R220-D224 PolarHBondContact O-N 2.92Å; I222-D224 PolarHBondContact O-N 3.39Å; D224-L226 VanDerWaalsContact C-N 3.34Å; D224-L226 PolarHBondContact O-N 3.17Å; D224-V227 PolarHBondContact O-N 2.9Å; D224-S228 PolarHBondContact O-N 3.08Å |
| 225 | G | 89.4 | Confident | 89.5 | Confident | 13 Ų | 13 | 54.7 Ų | 54.7 | 13% | 0.134 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.9 | -34.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I221 I222 D223 S228 F229 | I221-G225 PolarHBondContact O-N 3.34Å; I222-G225 CarbonylContact O-C 3.29Å; I222-G225 WeakPolarHBondContact O-CA 3.42Å; I222-G225 PolarHBondContact O-N 3.41Å; I222-G225 VanDerWaalsContact O-N 3.12Å; D223-G225 VanDerWaalsContact C-N 3.29Å; D223-G225 PolarHBondContact O-N 3.12Å; G225-S228 PolarHBondContact O-N 3.01Å; G225-F229 WeakPolarHBondContact O-CB 3.06Å; G225-F229 PolarHBondContact O-N 3.33Å |
| 226 | L | 90.5 | Very high | 89.8 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -74.4 | -36.2 | 177.4 | -69.7 | -177.2 | 0 | 0 | 0 | 112.5 | I222 D223 D224 F229 E230 A356 V359 K360 F610 | I222-L226 HydrophobicContact CG2-CD1 3.92Å; I222-L226 HydrophobicContact CG2-CG 4.15Å; I222-L226 VanDerWaalsContact O-CG 3.29Å; I222-L226 WeakPolarHBondContact O-CG 3.49Å; I222-L226 PolarHBondContact O-N 2.68Å; D223-L226 PolarHBondContact O-N 3.41Å; D224-L226 VanDerWaalsContact C-N 3.34Å; D224-L226 PolarHBondContact O-N 3.17Å; L226-F229 WeakPolarHBondContact O-CB 3.48Å; L226-F229 PolarHBondContact O-N 3.44Å; L226-E230 PolarHBondContact O-N 3.41Å; L226-A356 HydrophobicContact CB-CB 4.27Å; L226-V359 HydrophobicContact CD1-CG1 4.31Å; L226-V359 HydrophobicContact CD2-CB 4.26Å; L226-V359 HydrophobicContact CD2-CG1 3.38Å; L226-V359 HydrophobicContact CG-CG1 4.47Å; L226-K360 HydrophobicContact CD1-CB 3.51Å; L226-K360 HydrophobicContact CD1-CG 4.1Å; L226-F610 HydrophobicContact CD2-CE2 3.94Å |
| 227 | V | 90.9 | Very high | 90 | Very high | 74 Ų | 74 | 49.4 Ų | 49.4 | 45% | 0.448 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.9 | -47.3 | 169.5 | 174.2 | 0 | 0 | 0 | 0 | 110 | D223 D224 F229 E230 E231 | D223-V227 WeakPolarHBondContact O-CG2 3.45Å; D223-V227 PolarHBondContact O-N 2.9Å; D224-V227 PolarHBondContact O-N 2.9Å; V227-F229 VanDerWaalsContact C-N 3.26Å; V227-F229 PolarHBondContact O-N 3.3Å; V227-E230 PolarHBondContact O-N 2.66Å; V227-E230 VanDerWaalsContact O-N 3.13Å; V227-E231 PolarHBondContact O-N 3.1Å |
| 228 | S | 90.6 | Very high | 90.3 | Very high | 36 Ų | 36 | 48 Ų | 48 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.6 | -35.3 | 176.3 | -172.7 | 0 | 0 | 0 | 0 | 112.6 | D224 G225 D232 | D224-S228 PolarHBondContact O-N 3.08Å; G225-S228 PolarHBondContact O-N 3.01Å; S228-D232 WeakPolarHBondContact O-CB 3.46Å; S228-D232 PolarHBondContact O-N 2.79Å |
| 229 | F | 91.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.5 | -42.9 | 174.2 | 169.3 | -98.1 | 0 | 0 | 0 | 112.2 | G225 L226 V227 D232 F233 L355 V359 F610 L615 | G225-F229 WeakPolarHBondContact O-CB 3.06Å; G225-F229 PolarHBondContact O-N 3.33Å; L226-F229 WeakPolarHBondContact O-CB 3.48Å; L226-F229 PolarHBondContact O-N 3.44Å; V227-F229 VanDerWaalsContact C-N 3.26Å; V227-F229 PolarHBondContact O-N 3.3Å; F229-D232 PolarHBondContact O-N 2.86Å; F229-F233 VanDerWaalsContact O-CB 3.27Å; F229-F233 WeakPolarHBondContact O-CB 3.47Å; F229-F233 PolarHBondContact O-N 3.28Å; F229-L355 HydrophobicContact CD1-CD2 4.47Å; F229-L355 HydrophobicContact CE1-CD1 4.26Å; F229-L355 HydrophobicContact CE1-CD2 3.91Å; F229-L355 HydrophobicContact CE1-CG 4.04Å; F229-V359 HydrophobicContact CE1-CG2 4.13Å; F229-F610 AromaticContact CD2-CZ 3.86Å; F229-F610 HydrophobicContact CD2-CZ 3.86Å; F229-F610 HydrophobicContact CE2-CE1 4.33Å; F229-F610 AromaticContact CE2-CZ 3.89Å; F229-F610 HydrophobicContact CE2-CZ 3.89Å; F229-F610 HydrophobicContact CG-CZ 4.18Å; F229-F610 HydrophobicContact CZ-CZ 4.25Å; F229-L615 HydrophobicContact CE1-CD1 3.97Å; F229-L615 HydrophobicContact CZ-CD1 3.54Å |
| 230 | E | 91.5 | Very high | 90.9 | Very high | 37 Ų | 37 | 50.2 Ų | 50.2 | 17% | 0.173 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 176.8 | -178.9 | 176.7 | 103.2 | 0 | 0 | 111.9 | L226 V227 F233 T234 L355 A356 | L226-E230 PolarHBondContact O-N 3.41Å; V227-E230 PolarHBondContact O-N 2.66Å; V227-E230 VanDerWaalsContact O-N 3.13Å; E230-F233 PolarHBondContact O-N 3.4Å; E230-T234 WeakPolarHBondContact O-CB 3.5Å; E230-T234 PolarHBondContact O-N 2.94Å; E230-T234 PolarHBondContact O-OG1 3.31Å; E230-L355 HydrophobicContact CG-CB 4.22Å; E230-L355 HydrophobicContact CG-CD2 4.5Å; E230-L355 PolarHBondContact OE2-N 3.46Å; E230-A356 HydrophobicContact CB-CB 4.14Å; E230-A356 VanDerWaalsContact OE2-CB 3.31Å; E230-A356 WeakPolarHBondContact OE2-CB 3.45Å; E230-A356 PolarHBondContact OE2-N 2.82Å |
| 231 | E | 90.8 | Very high | 91.1 | Very high | 128 Ų | 128 | 47.6 Ų | 47.6 | 60% | 0.598 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.8 | -47.6 | 174.9 | -69 | 178 | 169.7 | 0 | 0 | 112 | V227 F233 T234 K235 | V227-E231 PolarHBondContact O-N 3.1Å; E231-F233 VanDerWaalsContact C-N 3.33Å; E231-F233 PolarHBondContact O-N 3.39Å; E231-T234 PolarHBondContact O-N 3.31Å; E231-K235 WeakPolarHBondContact O-CB 3.37Å; E231-K235 PolarHBondContact O-N 3.38Å |
| 232 | D | 91 | Very high | 91.4 | Very high | 22 Ų | 22 | 46.4 Ų | 46.4 | 12% | 0.118 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.2 | -42.5 | 176.9 | -90.8 | -28.7 | 0 | 0 | 0 | 111.2 | S228 F229 K235 L236 R732 K736 | S228-D232 WeakPolarHBondContact O-CB 3.46Å; S228-D232 PolarHBondContact O-N 2.79Å; F229-D232 PolarHBondContact O-N 2.86Å; D232-K235 PolarHBondContact O-N 2.87Å; D232-L236 VanDerWaalsContact O-CB 3.32Å; D232-L236 WeakPolarHBondContact O-CB 3.35Å; D232-L236 VanDerWaalsContact O-CG 3.31Å; D232-L236 WeakPolarHBondContact O-CG 3.42Å; D232-L236 PolarHBondContact O-N 2.86Å; D232-R732 IonicContact OD1-NH1 3.24Å; D232-R732 WeakPolarHBondContact OD2-CD 3.46Å; D232-K736 IonicContact OD1-NZ 3.17Å; D232-K736 IonicContact OD2-NZ 3.27Å; D232-K736 PolarHBondContact OD2-NZ 2.93Å |
| 233 | F | 92.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.7 | -46.6 | 177.5 | 178.5 | -94.6 | 0 | 0 | 0 | 111.6 | F229 E230 E231 K235 L236 S237 L355 F619 Y718 L722 V726 S729 | F229-F233 VanDerWaalsContact O-CB 3.27Å; F229-F233 WeakPolarHBondContact O-CB 3.47Å; F229-F233 PolarHBondContact O-N 3.28Å; E230-F233 PolarHBondContact O-N 3.4Å; E231-F233 VanDerWaalsContact C-N 3.33Å; E231-F233 PolarHBondContact O-N 3.39Å; F233-K235 VanDerWaalsContact C-N 3.27Å; F233-K235 PolarHBondContact O-N 3.43Å; F233-L236 PolarHBondContact O-N 3.46Å; F233-S237 VanDerWaalsContact O-CB 3.23Å; F233-S237 WeakPolarHBondContact O-CB 3.37Å; F233-S237 PolarHBondContact O-N 2.95Å; F233-S237 PolarHBondContact O-OG 2.77Å; F233-L355 HydrophobicContact CB-CD2 3.88Å; F233-L355 HydrophobicContact CD1-CD2 3.37Å; F233-L355 HydrophobicContact CD2-CD2 4.42Å; F233-L355 HydrophobicContact CE1-CD2 4Å; F233-L355 HydrophobicContact CG-CD2 3.61Å; F233-F619 HydrophobicContact CD1-CZ 4.45Å; F233-F619 AromaticContact CE1-CE1 3.95Å; F233-F619 HydrophobicContact CE1-CE1 3.95Å; F233-F619 AromaticContact CE1-CE2 3.99Å; F233-F619 HydrophobicContact CE1-CE2 3.99Å; F233-F619 AromaticContact CE1-CZ 3.52Å; F233-F619 HydrophobicContact CE1-CZ 3.52Å; F233-F619 HydrophobicContact CZ-CE1 4.42Å; F233-F619 HydrophobicContact CZ-CE2 4.11Å; F233-F619 HydrophobicContact CZ-CZ 4.04Å; F233-Y718 WeakPolarHBondContact CE1-OH 3.44Å; F233-Y718 WeakPolarHBondContact CZ-OH 3.36Å; F233-L722 HydrophobicContact CZ-CD1 4.07Å; F233-V726 HydrophobicContact CE2-CG2 3.73Å; F233-V726 HydrophobicContact CZ-CG2 4.37Å; F233-S729 WeakPolarHBondContact CA-OG 3.19Å |
| 234 | T | 92.3 | Very high | 92 | Very high | 20 Ų | 20 | 49.5 Ų | 49.5 | 12% | 0.123 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.8 | -42.8 | 177.5 | -61.3 | 0 | 0 | 0 | 0 | 110.8 | E230 E231 Q238 A239 N240 | E230-T234 WeakPolarHBondContact O-CB 3.5Å; E230-T234 PolarHBondContact O-N 2.94Å; E230-T234 PolarHBondContact O-OG1 3.31Å; E231-T234 PolarHBondContact O-N 3.31Å; T234-Q238 PolarHBondContact O-N 3.39Å; T234-A239 HydrophobicContact CG2-CB 4.29Å; T234-A239 PolarHBondContact O-N 2.58Å; T234-A239 VanDerWaalsContact O-N 3.13Å; T234-N240 WeakPolarHBondContact CG2-OD1 3.34Å |
| 235 | K | 91.7 | Very high | 92.3 | Very high | 164 Ų | 164 | 44.9 Ų | 44.9 | 71% | 0.713 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -69.7 | -48.3 | 178.3 | -173.2 | 175.2 | -178.2 | 174.6 | 0 | 112.9 | E231 D232 F233 Q238 | E231-K235 WeakPolarHBondContact O-CB 3.37Å; E231-K235 PolarHBondContact O-N 3.38Å; D232-K235 PolarHBondContact O-N 2.87Å; F233-K235 VanDerWaalsContact C-N 3.27Å; F233-K235 PolarHBondContact O-N 3.43Å; K235-Q238 PolarHBondContact O-N 3.43Å |
| 236 | L | 90.5 | Very high | 92.6 | Very high | 53 Ų | 53 | 44.3 Ų | 44.3 | 28% | 0.277 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -71.2 | -32.9 | -176.8 | -73.8 | 171.9 | 0 | 0 | 0 | 113.3 | D232 F233 Q238 S725 S729 | D232-L236 VanDerWaalsContact O-CB 3.32Å; D232-L236 WeakPolarHBondContact O-CB 3.35Å; D232-L236 VanDerWaalsContact O-CG 3.31Å; D232-L236 WeakPolarHBondContact O-CG 3.42Å; D232-L236 PolarHBondContact O-N 2.86Å; F233-L236 PolarHBondContact O-N 3.46Å; L236-Q238 VanDerWaalsContact C-N 3.31Å; L236-S725 PolarHBondContact O-OG 2.92Å; L236-S729 WeakPolarHBondContact CD1-OG 3.1Å |
| 237 | S | 90.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -82.9 | -7.6 | 176.1 | 68.2 | 0 | 0 | 0 | 0 | 113.4 | F233 A239 Y718 S725 | F233-S237 VanDerWaalsContact O-CB 3.23Å; F233-S237 WeakPolarHBondContact O-CB 3.37Å; F233-S237 PolarHBondContact O-N 2.95Å; F233-S237 PolarHBondContact O-OG 2.77Å; S237-A239 PolarHBondContact O-N 3.37Å; S237-Y718 VanDerWaalsContact CB-CE2 3.46Å; S237-Y718 WeakPolarHBondContact O-CD2 3.19Å; S237-Y718 VanDerWaalsContact O-CE2 3.27Å; S237-Y718 WeakPolarHBondContact O-CE2 3.37Å; S237-Y718 WeakPolarHBondContact OG-CE2 3.27Å; S237-Y718 PolarHBondContact OG-OH 3.46Å; S237-S725 WeakPolarHBondContact CA-OG 3.32Å |
| 238 | Q | 91.2 | Very high | 93.1 | Very high | 93 Ų | 93 | 44.4 Ų | 44.4 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 35.6 | -173 | -60.9 | 173.3 | 53.5 | 0 | 0 | 112.1 | T234 K235 L236 N240 N241 | T234-Q238 PolarHBondContact O-N 3.39Å; K235-Q238 PolarHBondContact O-N 3.43Å; L236-Q238 VanDerWaalsContact C-N 3.31Å; Q238-N240 PolarHBondContact O-N 2.66Å; Q238-N241 WeakPolarHBondContact O-CB 2.95Å; Q238-N241 PolarHBondContact O-N 2.92Å; Q238-N241 PolarHBondContact OE1-ND2 2.98Å; Q238-N241 VanDerWaalsContact OE1-ND2 3.14Å |
| 239 | A | 92.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.7 | -29.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112 | T234 S237 N241 V242 S243 F348 I352 Y718 | T234-A239 HydrophobicContact CG2-CB 4.29Å; T234-A239 PolarHBondContact O-N 2.58Å; T234-A239 VanDerWaalsContact O-N 3.13Å; S237-A239 PolarHBondContact O-N 3.37Å; A239-N241 VanDerWaalsContact C-N 3.29Å; A239-N241 PolarHBondContact O-N 3.33Å; A239-V242 WeakPolarHBondContact O-CB 3.21Å; A239-V242 PolarHBondContact O-N 3.44Å; A239-V242 VanDerWaalsContact O-N 3.12Å; A239-S243 PolarHBondContact O-N 2.6Å; A239-F348 HydrophobicContact CB-CZ 4.43Å; A239-I352 HydrophobicContact CB-CD1 3.56Å; A239-I352 HydrophobicContact CB-CG1 4.25Å; A239-Y718 HydrophobicContact CB-CE2 3.75Å |
| 240 | N | 93.4 | Very high | 93.6 | Very high | 86 Ų | 86 | 42.8 Ų | 42.8 | 46% | 0.46 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57.1 | -40 | 174.1 | -67.4 | -11 | 0 | 0 | 0 | 112.4 | T234 Q238 V242 S243 D244 | T234-N240 WeakPolarHBondContact CG2-OD1 3.34Å; Q238-N240 PolarHBondContact O-N 2.66Å; N240-V242 PolarHBondContact O-N 2.87Å; N240-S243 WeakPolarHBondContact O-CB 3.31Å; N240-S243 PolarHBondContact O-N 2.76Å; N240-D244 WeakPolarHBondContact O-CB 3.34Å; N240-D244 PolarHBondContact O-N 3.38Å |
| 241 | N | 94.4 | Very high | 93.8 | Very high | 74 Ų | 74 | 44.4 Ų | 44.4 | 40% | 0.396 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.9 | -35.4 | 179.1 | -64 | -3.5 | 0 | 0 | 0 | 111.7 | Q238 A239 A245 | Q238-N241 WeakPolarHBondContact O-CB 2.95Å; Q238-N241 PolarHBondContact O-N 2.92Å; Q238-N241 PolarHBondContact OE1-ND2 2.98Å; Q238-N241 VanDerWaalsContact OE1-ND2 3.14Å; A239-N241 VanDerWaalsContact C-N 3.29Å; A239-N241 PolarHBondContact O-N 3.33Å; N241-A245 WeakPolarHBondContact O-CB 3.34Å; N241-A245 PolarHBondContact O-N 3.38Å |
| 242 | V | 95.2 | Very high | 94 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -72.9 | -46.4 | 175.9 | -176.8 | 0 | 0 | 0 | 0 | 110.3 | A239 N240 D244 A245 I246 F348 N714 L715 Y718 | A239-V242 WeakPolarHBondContact O-CB 3.21Å; A239-V242 PolarHBondContact O-N 3.44Å; A239-V242 VanDerWaalsContact O-N 3.12Å; N240-V242 PolarHBondContact O-N 2.87Å; V242-D244 VanDerWaalsContact C-N 3.34Å; V242-D244 PolarHBondContact O-N 2.75Å; V242-A245 PolarHBondContact O-N 3.14Å; V242-I246 HydrophobicContact CG1-CD1 3.87Å; V242-I246 HydrophobicContact CG1-CG1 4.47Å; V242-I246 WeakPolarHBondContact O-CB 3.45Å; V242-I246 WeakPolarHBondContact O-CG1 3.39Å; V242-I246 PolarHBondContact O-N 2.89Å; V242-F348 HydrophobicContact CB-CD1 4.3Å; V242-F348 HydrophobicContact CB-CE1 3.47Å; V242-F348 VanDerWaalsContact CB-CE1 3.47Å; V242-F348 HydrophobicContact CB-CE2 4.45Å; V242-F348 HydrophobicContact CB-CZ 3.57Å; V242-F348 HydrophobicContact CG1-CD1 3.85Å; V242-F348 HydrophobicContact CG1-CD2 4.27Å; V242-F348 HydrophobicContact CG1-CE1 3.43Å; V242-F348 VanDerWaalsContact CG1-CE1 3.43Å; V242-F348 HydrophobicContact CG1-CE2 3.91Å; V242-F348 HydrophobicContact CG1-CG 4.25Å; V242-F348 HydrophobicContact CG1-CZ 3.48Å; V242-F348 VanDerWaalsContact CG1-CZ 3.48Å; V242-F348 HydrophobicContact CG2-CE1 4.4Å; V242-F348 HydrophobicContact CG2-CZ 4.04Å; V242-N714 HydrophobicContact CG2-CB 4.16Å; V242-L715 HydrophobicContact CG1-CD2 3.61Å; V242-L715 HydrophobicContact CG1-CG 3.88Å; V242-Y718 HydrophobicContact CG2-CD2 3.8Å; V242-Y718 HydrophobicContact CG2-CG 3.89Å |
| 243 | S | 95.4 | Very high | 94.2 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 13% | 0.133 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.3 | -48 | 176.1 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | A239 N240 I246 S247 N349 | A239-S243 PolarHBondContact O-N 2.6Å; N240-S243 WeakPolarHBondContact O-CB 3.31Å; N240-S243 PolarHBondContact O-N 2.76Å; S243-I246 PolarHBondContact O-N 2.95Å; S243-S247 VanDerWaalsContact O-CB 3.25Å; S243-S247 WeakPolarHBondContact O-CB 3.23Å; S243-S247 PolarHBondContact O-N 3.42Å; S243-N349 WeakPolarHBondContact CB-OD1 3.34Å; S243-N349 PolarHBondContact OG-ND2 3.44Å; S243-N349 PolarHBondContact OG-OD1 3.39Å; S243-N349 VanDerWaalsContact OG-OD1 3.09Å |
| 244 | D | 96.2 | Very high | 94.3 | Very high | 104 Ų | 104 | 41.3 Ų | 41.3 | 56% | 0.556 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -67.1 | -40.8 | -177.5 | -66.2 | -16.2 | 0 | 0 | 0 | 111.2 | N240 V242 S247 G248 | N240-D244 WeakPolarHBondContact O-CB 3.34Å; N240-D244 PolarHBondContact O-N 3.38Å; V242-D244 VanDerWaalsContact C-N 3.34Å; V242-D244 PolarHBondContact O-N 2.75Å; D244-S247 PolarHBondContact O-N 3.15Å; D244-G248 PolarHBondContact O-N 3.36Å |
| 245 | A | 96.5 | Very high | 94.5 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.9 | -43.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | N241 V242 F249 A711 N714 | N241-A245 WeakPolarHBondContact O-CB 3.34Å; N241-A245 PolarHBondContact O-N 3.38Å; V242-A245 PolarHBondContact O-N 3.14Å; A245-F249 PolarHBondContact O-N 3.32Å; A245-F249 VanDerWaalsContact O-N 3.14Å; A245-A711 HydrophobicContact CB-CB 4.12Å; A245-N714 HydrophobicContact CB-CB 4.48Å |
| 246 | I | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.8 | -48.2 | 174.6 | -74.2 | 173.8 | 0 | 0 | 0 | 110.4 | V242 S243 G248 F249 Q250 L345 F348 A711 L715 | V242-I246 HydrophobicContact CG1-CD1 3.87Å; V242-I246 HydrophobicContact CG1-CG1 4.47Å; V242-I246 WeakPolarHBondContact O-CB 3.45Å; V242-I246 WeakPolarHBondContact O-CG1 3.39Å; V242-I246 PolarHBondContact O-N 2.89Å; S243-I246 PolarHBondContact O-N 2.95Å; I246-G248 VanDerWaalsContact C-N 3.34Å; I246-G248 PolarHBondContact O-N 3.17Å; I246-F249 PolarHBondContact O-N 2.88Å; I246-Q250 HydrophobicContact CG2-CG 4.19Å; I246-Q250 WeakPolarHBondContact O-CB 3.44Å; I246-Q250 VanDerWaalsContact O-CG 3.29Å; I246-Q250 WeakPolarHBondContact O-CG 3.18Å; I246-Q250 PolarHBondContact O-N 3.31Å; I246-L345 HydrophobicContact CG2-CB 3.57Å; I246-L345 HydrophobicContact CG2-CD1 4.44Å; I246-F348 HydrophobicContact CD1-CB 3.97Å; I246-F348 HydrophobicContact CD1-CD1 4.23Å; I246-F348 HydrophobicContact CD1-CG 4.13Å; I246-A711 HydrophobicContact CG1-CB 4.36Å; I246-L715 HydrophobicContact CD1-CD2 4.45Å |
| 247 | S | 96.1 | Very high | 94.9 | Very high | 52 Ų | 52 | 32.4 Ų | 32.4 | 36% | 0.364 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.2 | -41.8 | -179 | -173 | 0 | 0 | 0 | 0 | 111.6 | S243 D244 Q250 T251 | S243-S247 VanDerWaalsContact O-CB 3.25Å; S243-S247 WeakPolarHBondContact O-CB 3.23Å; S243-S247 PolarHBondContact O-N 3.42Å; D244-S247 PolarHBondContact O-N 3.15Å; S247-Q250 PolarHBondContact O-N 3.05Å; S247-T251 VanDerWaalsContact O-CB 3.29Å; S247-T251 WeakPolarHBondContact O-CB 3.25Å; S247-T251 PolarHBondContact O-N 2.9Å; S247-T251 PolarHBondContact O-OG1 2.71Å |
| 248 | G | 95 | Very high | 95 | Very high | 28 Ų | 28 | 34.8 Ų | 34.8 | 29% | 0.289 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.1 | -50.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D244 I246 T251 S252 Q707 | D244-G248 PolarHBondContact O-N 3.36Å; I246-G248 VanDerWaalsContact C-N 3.34Å; I246-G248 PolarHBondContact O-N 3.17Å; G248-T251 PolarHBondContact O-N 3.4Å; G248-S252 PolarHBondContact O-N 3.48Å; G248-S252 VanDerWaalsContact O-N 3.09Å; G248-S252 PolarHBondContact O-OG 2.93Å; G248-Q707 PolarHBondContact O-OE1 3.42Å |
| 249 | F | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.8 | -50.2 | 175.6 | 168.4 | -100.4 | 0 | 0 | 0 | 112.1 | A245 I246 T251 S252 A253 V342 L345 F630 L633 L636 I704 Q707 M708 | A245-F249 PolarHBondContact O-N 3.32Å; A245-F249 VanDerWaalsContact O-N 3.14Å; I246-F249 PolarHBondContact O-N 2.88Å; F249-T251 VanDerWaalsContact C-N 3.3Å; F249-T251 PolarHBondContact O-N 3.15Å; F249-S252 PolarHBondContact O-N 2.63Å; F249-A253 HydrophobicContact CZ-CB 4.45Å; F249-A253 WeakPolarHBondContact O-CB 3.22Å; F249-A253 PolarHBondContact O-N 2.68Å; F249-V342 HydrophobicContact CE1-CG2 4.38Å; F249-L345 HydrophobicContact CD1-CD1 3.7Å; F249-L345 HydrophobicContact CE1-CD1 3.74Å; F249-F630 AromaticContact CD1-CE1 3.71Å; F249-F630 HydrophobicContact CD1-CE1 3.71Å; F249-F630 HydrophobicContact CD1-CZ 4.23Å; F249-F630 HydrophobicContact CE1-CD1 4.48Å; F249-F630 AromaticContact CE1-CE1 3.73Å; F249-F630 HydrophobicContact CE1-CE1 3.73Å; F249-F630 HydrophobicContact CG-CE1 4.15Å; F249-F630 HydrophobicContact CZ-CE1 4.18Å; F249-L633 HydrophobicContact CE1-CD1 3.93Å; F249-L633 HydrophobicContact CZ-CD1 3.95Å; F249-L636 HydrophobicContact CE2-CD1 3.78Å; F249-L636 HydrophobicContact CZ-CD1 3.71Å; F249-I704 HydrophobicContact CD2-CG2 4.29Å; F249-I704 HydrophobicContact CE2-CG2 3.86Å; F249-Q707 HydrophobicContact CB-CB 4.27Å; F249-M708 HydrophobicContact CD2-CB 3.76Å; F249-M708 HydrophobicContact CD2-CG 4.31Å; F249-M708 HydrophobicContact CE2-CB 3.74Å; F249-M708 HydrophobicContact CE2-CG 3.97Å; F249-M708 HydrophobicContact CE2-SD 4.36Å; F249-M708 HydrophobicContact CZ-CG 4.45Å |
| 250 | Q | 95.8 | Very high | 95.1 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.019 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.8 | -40.1 | -179.4 | -73.4 | 178.5 | -49.6 | 0 | 0 | 112.1 | I246 S247 A253 R254 V342 L345 N346 | I246-Q250 HydrophobicContact CG2-CG 4.19Å; I246-Q250 WeakPolarHBondContact O-CB 3.44Å; I246-Q250 VanDerWaalsContact O-CG 3.29Å; I246-Q250 WeakPolarHBondContact O-CG 3.18Å; I246-Q250 PolarHBondContact O-N 3.31Å; S247-Q250 PolarHBondContact O-N 3.05Å; Q250-A253 PolarHBondContact O-N 3.42Å; Q250-R254 WeakPolarHBondContact O-CB 3.29Å; Q250-R254 WeakPolarHBondContact O-CG 3.35Å; Q250-R254 PolarHBondContact O-N 3.28Å; Q250-V342 HydrophobicContact CB-CG1 4.21Å; Q250-V342 HydrophobicContact CG-CG1 3.89Å; Q250-V342 PolarHBondContact NE2-O 2.82Å; Q250-L345 HydrophobicContact CG-CB 4.47Å; Q250-L345 HydrophobicContact CG-CD1 4.24Å; Q250-N346 VanDerWaalsContact NE2-CG 3.27Å; Q250-N346 PolarHBondContact NE2-OD1 3.4Å; Q250-N346 PolarHBondContact OE1-OD1 3.1Å |
| 251 | T | 96.3 | Very high | 95.1 | Very high | 71 Ų | 71 | 38 Ų | 38 | 44% | 0.436 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.8 | -40.9 | 179.7 | -57 | 0 | 0 | 0 | 0 | 110.8 | S247 G248 F249 A255 R700 | S247-T251 VanDerWaalsContact O-CB 3.29Å; S247-T251 WeakPolarHBondContact O-CB 3.25Å; S247-T251 PolarHBondContact O-N 2.9Å; S247-T251 PolarHBondContact O-OG1 2.71Å; G248-T251 PolarHBondContact O-N 3.4Å; F249-T251 VanDerWaalsContact C-N 3.3Å; F249-T251 PolarHBondContact O-N 3.15Å; T251-A255 WeakPolarHBondContact O-CB 3.46Å; T251-A255 PolarHBondContact O-N 3.38Å; T251-R700 PolarHBondContact O-NH2 2.61Å |
| 252 | S | 94.2 | Very high | 95.1 | Very high | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.028 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.7 | -45.7 | 174 | -60.5 | 0 | 0 | 0 | 0 | 111.9 | G248 F249 R254 A255 F256 Q707 | G248-S252 PolarHBondContact O-N 3.48Å; G248-S252 VanDerWaalsContact O-N 3.09Å; G248-S252 PolarHBondContact O-OG 2.93Å; F249-S252 PolarHBondContact O-N 2.63Å; S252-R254 PolarHBondContact O-N 2.6Å; S252-A255 WeakPolarHBondContact O-CB 3.11Å; S252-A255 PolarHBondContact O-N 2.83Å; S252-A255 VanDerWaalsContact O-N 3.17Å; S252-F256 VanDerWaalsContact O-CD2 3.26Å; S252-F256 WeakPolarHBondContact O-CD2 3.39Å; S252-Q707 PolarHBondContact OG-NE2 3.28Å; S252-Q707 PolarHBondContact OG-OE1 3.44Å |
| 253 | A | 94.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.4 | -46.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F249 Q250 A255 F256 I335 V342 | F249-A253 HydrophobicContact CZ-CB 4.45Å; F249-A253 WeakPolarHBondContact O-CB 3.22Å; F249-A253 PolarHBondContact O-N 2.68Å; Q250-A253 PolarHBondContact O-N 3.42Å; A253-A255 VanDerWaalsContact C-N 3.32Å; A253-A255 PolarHBondContact O-N 2.94Å; A253-F256 PolarHBondContact O-N 3.01Å; A253-I335 HydrophobicContact CB-CG2 4.27Å; A253-V342 HydrophobicContact CB-CG1 4.25Å; A253-V342 HydrophobicContact CB-CG2 4.48Å |
| 254 | R | 95.2 | Very high | 94.9 | Very high | 82 Ų | 82 | 37.8 Ų | 37.8 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.5 | -31.6 | 178 | -70.1 | -168.6 | -167.4 | 98.7 | 4.6 | 113.2 | Q250 S252 F256 L257 L339 D343 | Q250-R254 WeakPolarHBondContact O-CB 3.29Å; Q250-R254 WeakPolarHBondContact O-CG 3.35Å; Q250-R254 PolarHBondContact O-N 3.28Å; S252-R254 PolarHBondContact O-N 2.6Å; R254-F256 PolarHBondContact O-N 2.95Å; R254-F256 VanDerWaalsContact O-N 3.16Å; R254-L257 HydrophobicContact CB-CD1 4.24Å; R254-L257 HydrophobicContact CG-CD1 4.23Å; R254-L257 PolarHBondContact O-N 3.3Å; R254-L339 HydrophobicContact CG-CD1 4.44Å; R254-D343 IonicContact CZ-OD1 3.83Å; R254-D343 IonicContact NE-OD1 3.33Å; R254-D343 PolarHBondContact NE-OD1 3.4Å; R254-D343 IonicContact NH2-OD1 2.81Å; R254-D343 PolarHBondContact NH2-OD1 2.85Å |
| 255 | A | 95.6 | Very high | 94.8 | Very high | 24 Ų | 24 | 35.7 Ų | 35.7 | 20% | 0.198 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.7 | -18.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | T251 S252 A253 S260 A262 | T251-A255 WeakPolarHBondContact O-CB 3.46Å; T251-A255 PolarHBondContact O-N 3.38Å; S252-A255 WeakPolarHBondContact O-CB 3.11Å; S252-A255 PolarHBondContact O-N 2.83Å; S252-A255 VanDerWaalsContact O-N 3.17Å; A253-A255 VanDerWaalsContact C-N 3.32Å; A253-A255 PolarHBondContact O-N 2.94Å; A255-S260 VanDerWaalsContact O-CB 3.31Å; A255-S260 WeakPolarHBondContact O-CB 3.46Å; A255-S260 PolarHBondContact O-OG 3.03Å; A255-A262 VanDerWaalsContact O-CB 3.24Å; A255-A262 WeakPolarHBondContact O-CB 3.27Å |
| 256 | F | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 23.8 | 179.9 | -64.5 | -80.8 | 0 | 0 | 0 | 113.6 | S252 A253 R254 A262 I263 I266 S332 L697 R700 F701 I704 | S252-F256 VanDerWaalsContact O-CD2 3.26Å; S252-F256 WeakPolarHBondContact O-CD2 3.39Å; A253-F256 PolarHBondContact O-N 3.01Å; R254-F256 PolarHBondContact O-N 2.95Å; R254-F256 VanDerWaalsContact O-N 3.16Å; F256-A262 HydrophobicContact CD1-CB 3.86Å; F256-A262 HydrophobicContact CE1-CB 3.71Å; F256-A262 HydrophobicContact CZ-CB 4.39Å; F256-I263 HydrophobicContact CB-CD1 4.4Å; F256-I263 HydrophobicContact CD1-CD1 4.17Å; F256-I266 HydrophobicContact CD1-CD1 4.41Å; F256-I266 HydrophobicContact CE1-CD1 4.01Å; F256-S332 VanDerWaalsContact O-CB 3.25Å; F256-S332 WeakPolarHBondContact O-CB 3.49Å; F256-S332 PolarHBondContact O-OG 3.43Å; F256-L697 HydrophobicContact CE1-CB 4.34Å; F256-L697 HydrophobicContact CZ-CB 4.45Å; F256-L697 WeakPolarHBondContact CZ-O 3.43Å; F256-R700 HydrophobicContact CE2-CB 4.22Å; F256-R700 HydrophobicContact CE2-CG 4.03Å; F256-R700 HydrophobicContact CZ-CB 4.19Å; F256-R700 HydrophobicContact CZ-CG 4.43Å; F256-F701 HydrophobicContact CB-CD2 3.93Å; F256-F701 HydrophobicContact CB-CE2 4.07Å; F256-F701 HydrophobicContact CD1-CB 4.41Å; F256-F701 AromaticContact CD1-CD2 3.66Å; F256-F701 HydrophobicContact CD1-CD2 3.66Å; F256-F701 HydrophobicContact CD1-CE2 4.39Å; F256-F701 HydrophobicContact CD1-CG 4.46Å; F256-F701 HydrophobicContact CD2-CB 4.32Å; F256-F701 AromaticContact CD2-CD2 3.71Å; F256-F701 HydrophobicContact CD2-CD2 3.71Å; F256-F701 HydrophobicContact CE1-CB 3.94Å; F256-F701 HydrophobicContact CE1-CD2 4.07Å; F256-F701 HydrophobicContact CE1-CG 4.45Å; F256-F701 HydrophobicContact CE2-CB 3.86Å; F256-F701 HydrophobicContact CE2-CD2 4.12Å; F256-F701 AromaticContact CG-CD2 3.49Å; F256-F701 HydrophobicContact CG-CD2 3.49Å; F256-F701 VanDerWaalsContact CG-CD2 3.49Å; F256-F701 HydrophobicContact CG-CE2 4.14Å; F256-F701 HydrophobicContact CZ-CB 3.67Å; F256-F701 HydrophobicContact CZ-CD2 4.3Å; F256-I704 HydrophobicContact CD2-CD1 4.06Å |
| 257 | L | 95.6 | Very high | 94.2 | Very high | 26 Ų | 26 | 38.3 Ų | 38.3 | 14% | 0.136 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -66.9 | 154.8 | 169.9 | -72.6 | 170.2 | 0 | 0 | 0 | 111.5 | R254 G259 S260 I335 Q336 L339 | R254-L257 HydrophobicContact CB-CD1 4.24Å; R254-L257 HydrophobicContact CG-CD1 4.23Å; R254-L257 PolarHBondContact O-N 3.3Å; L257-G259 PolarHBondContact O-N 2.81Å; L257-S260 WeakPolarHBondContact O-CB 3.45Å; L257-S260 PolarHBondContact O-N 2.8Å; L257-S260 PolarHBondContact O-OG 2.92Å; L257-I335 HydrophobicContact CD2-CB 4.3Å; L257-I335 HydrophobicContact CD2-CG2 3.62Å; L257-I335 HydrophobicContact CG-CG2 4.47Å; L257-Q336 HydrophobicContact CD2-CB 4.19Å; L257-L339 HydrophobicContact CD1-CD1 4.09Å; L257-L339 HydrophobicContact CD1-CD2 4.27Å; L257-L339 HydrophobicContact CD2-CD1 4.32Å |
| 258 | P | 92.3 | Very high | 94 | Very high | 51 Ų | 51 | 41.5 Ų | 41.5 | 33% | 0.331 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 131.6 | 173.5 | -24.4 | 34.8 | 0 | 0 | 0 | 111 | S260 S332 Q336 | P258-S260 VanDerWaalsContact C-N 3.29Å; P258-S260 PolarHBondContact O-N 2.92Å; P258-S332 VanDerWaalsContact CD-OG 3.32Å; P258-S332 WeakPolarHBondContact CD-OG 3.46Å; P258-Q336 HydrophobicContact CG-CB 3.93Å; P258-Q336 HydrophobicContact CG-CG 4.35Å |
| 259 | G | 91.2 | Very high | 93.8 | Very high | 78 Ų | 78 | 40.5 Ų | 40.5 | 80% | 0.804 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -0.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L257 | L257-G259 PolarHBondContact O-N 2.81Š|
| 260 | S | 95 | Very high | 93.4 | Very high | 22 Ų | 22 | 42 Ų | 42 | 15% | 0.154 | 25% | 0.246 | C | C | . | . | trans | -64.7 | 156.6 | 169.2 | 62 | 0 | 0 | 0 | 0 | 111.9 | A255 L257 P258 A262 I263 A264 | A255-S260 VanDerWaalsContact O-CB 3.31Å; A255-S260 WeakPolarHBondContact O-CB 3.46Å; A255-S260 PolarHBondContact O-OG 3.03Å; L257-S260 WeakPolarHBondContact O-CB 3.45Å; L257-S260 PolarHBondContact O-N 2.8Å; L257-S260 PolarHBondContact O-OG 2.92Å; P258-S260 VanDerWaalsContact C-N 3.29Å; P258-S260 PolarHBondContact O-N 2.92Å; S260-A262 VanDerWaalsContact C-N 3.26Å; S260-A262 PolarHBondContact O-N 3.37Å; S260-I263 PolarHBondContact O-N 2.67Å; S260-I263 WeakPolarHBondContact OG-CG1 3.11Å; S260-I263 PolarHBondContact OG-N 3.25Å; S260-A264 PolarHBondContact O-N 3.01Å | ||
| 261 | E | 94.5 | Very high | 93.1 | Very high | 148 Ų | 148 | 47.9 Ų | 47.9 | 69% | 0.692 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -58.2 | -39.6 | 176.3 | -170.4 | -175.7 | 170 | 0 | 0 | 111.9 | I263 A264 Q265 | E261-I263 PolarHBondContact O-N 3.44Å; E261-A264 PolarHBondContact O-N 3.19Å; E261-Q265 HydrophobicContact CG-CG 4.42Å; E261-Q265 WeakPolarHBondContact O-CG 3.4Å; E261-Q265 PolarHBondContact O-N 3.33Å; E261-Q265 PolarHBondContact OE1-NE2 2.65Å |
| 262 | A | 94.3 | Very high | 92.8 | Very high | 11 Ų | 11 | 45.2 Ų | 45.2 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A255 F256 S260 A264 Q265 I266 L697 | A255-A262 VanDerWaalsContact O-CB 3.24Å; A255-A262 WeakPolarHBondContact O-CB 3.27Å; F256-A262 HydrophobicContact CD1-CB 3.86Å; F256-A262 HydrophobicContact CE1-CB 3.71Å; F256-A262 HydrophobicContact CZ-CB 4.39Å; S260-A262 VanDerWaalsContact C-N 3.26Å; S260-A262 PolarHBondContact O-N 3.37Å; A262-A264 VanDerWaalsContact C-N 3.34Å; A262-Q265 PolarHBondContact O-N 3.18Å; A262-I266 WeakPolarHBondContact O-CB 3.27Å; A262-I266 VanDerWaalsContact O-CG1 3.23Å; A262-I266 WeakPolarHBondContact O-CG1 3.06Å; A262-I266 PolarHBondContact O-N 3.24Å; A262-L697 HydrophobicContact CB-CD1 4.14Å; A262-L697 HydrophobicContact CB-CD2 3.8Å |
| 263 | I | 93.4 | Very high | 92.6 | Very high | 21 Ų | 21 | 45 Ų | 45 | 11% | 0.108 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.5 | -37.7 | 177.7 | -65 | -64.4 | 0 | 0 | 0 | 111 | F256 S260 E261 I266 S267 V328 | F256-I263 HydrophobicContact CB-CD1 4.4Å; F256-I263 HydrophobicContact CD1-CD1 4.17Å; S260-I263 PolarHBondContact O-N 2.67Å; S260-I263 WeakPolarHBondContact OG-CG1 3.11Å; S260-I263 PolarHBondContact OG-N 3.25Å; E261-I263 PolarHBondContact O-N 3.44Å; I263-I266 PolarHBondContact O-N 2.9Å; I263-S267 VanDerWaalsContact O-CB 3.3Å; I263-S267 WeakPolarHBondContact O-CB 3.46Å; I263-S267 PolarHBondContact O-N 2.99Å; I263-V328 HydrophobicContact CD1-CG1 3.73Å |
| 264 | A | 93.1 | Very high | 92.3 | Very high | 58 Ų | 58 | 48.7 Ų | 48.7 | 48% | 0.479 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S260 E261 A262 S267 Y268 | S260-A264 PolarHBondContact O-N 3.01Å; E261-A264 PolarHBondContact O-N 3.19Å; A262-A264 VanDerWaalsContact C-N 3.34Å; A264-S267 PolarHBondContact O-N 3.37Å; A264-Y268 VanDerWaalsContact O-CB 3.28Å; A264-Y268 WeakPolarHBondContact O-CB 3.44Å; A264-Y268 PolarHBondContact O-N 3.5Å |
| 265 | Q | 93.2 | Very high | 92.1 | Very high | 61 Ų | 61 | 50.2 Ų | 50.2 | 29% | 0.285 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 176.7 | -71.5 | -175.6 | 29.1 | 0 | 0 | 111.8 | E261 A262 Y268 F269 I694 L697 | E261-Q265 HydrophobicContact CG-CG 4.42Å; E261-Q265 WeakPolarHBondContact O-CG 3.4Å; E261-Q265 PolarHBondContact O-N 3.33Å; E261-Q265 PolarHBondContact OE1-NE2 2.65Å; A262-Q265 PolarHBondContact O-N 3.18Å; Q265-Y268 PolarHBondContact O-N 2.88Å; Q265-F269 WeakPolarHBondContact O-CB 3.46Å; Q265-F269 PolarHBondContact O-N 2.99Å; Q265-I694 HydrophobicContact CB-CD1 4.01Å; Q265-L697 HydrophobicContact CB-CD1 4Å |
| 266 | I | 91.2 | Very high | 91.8 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 177 | -73 | 170.3 | 0 | 0 | 0 | 110.9 | F256 A262 I263 F269 N270 I325 V328 I694 L697 F698 | F256-I266 HydrophobicContact CD1-CD1 4.41Å; F256-I266 HydrophobicContact CE1-CD1 4.01Å; A262-I266 WeakPolarHBondContact O-CB 3.27Å; A262-I266 VanDerWaalsContact O-CG1 3.23Å; A262-I266 WeakPolarHBondContact O-CG1 3.06Å; A262-I266 PolarHBondContact O-N 3.24Å; I263-I266 PolarHBondContact O-N 2.9Å; I266-F269 PolarHBondContact O-N 3.03Å; I266-N270 PolarHBondContact O-N 3.01Å; I266-I325 HydrophobicContact CG2-CD1 3.38Å; I266-V328 HydrophobicContact CD1-CG1 4.41Å; I266-I694 HydrophobicContact CG1-CD1 4.45Å; I266-L697 HydrophobicContact CD1-CB 4.19Å; I266-L697 HydrophobicContact CD1-CD1 4.4Å; I266-L697 HydrophobicContact CG1-CB 4.44Å; I266-L697 HydrophobicContact CG1-CD1 4.06Å; I266-F698 HydrophobicContact CD1-CD1 4.3Å; I266-F698 HydrophobicContact CD1-CE1 4.04Å; I266-F698 HydrophobicContact CG1-CE1 4.25Å; I266-F698 HydrophobicContact CG2-CE1 4.14Å; I266-F698 HydrophobicContact CG2-CZ 4.34Å |
| 267 | S | 90.3 | Very high | 91.5 | Very high | 60 Ų | 60 | 51.4 Ų | 51.4 | 42% | 0.42 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.5 | -41.1 | 178.4 | -172.9 | 0 | 0 | 0 | 0 | 112.1 | I263 A264 N270 H271 | I263-S267 VanDerWaalsContact O-CB 3.3Å; I263-S267 WeakPolarHBondContact O-CB 3.46Å; I263-S267 PolarHBondContact O-N 2.99Å; A264-S267 PolarHBondContact O-N 3.37Å; S267-N270 PolarHBondContact O-N 2.96Å; S267-H271 WeakPolarHBondContact O-CB 3.41Å; S267-H271 PolarHBondContact O-N 3.44Å |
| 268 | Y | 90.6 | Very high | 91.2 | Very high | 118 Ų | 118 | 54 Ų | 54 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.2 | -48.2 | 175.7 | 175.5 | -102.5 | 0 | 0 | 0 | 110.8 | A264 Q265 N270 H271 S272 | A264-Y268 VanDerWaalsContact O-CB 3.28Å; A264-Y268 WeakPolarHBondContact O-CB 3.44Å; A264-Y268 PolarHBondContact O-N 3.5Å; Q265-Y268 PolarHBondContact O-N 2.88Å; Y268-N270 VanDerWaalsContact C-N 3.33Å; Y268-N270 PolarHBondContact O-N 3.35Å; Y268-H271 PolarHBondContact O-N 3.31Å; Y268-S272 WeakPolarHBondContact O-CB 3.07Å; Y268-S272 PolarHBondContact O-N 2.86Å; Y268-S272 PolarHBondContact O-OG 3.47Å |
| 269 | F | 90.7 | Very high | 91.2 | Very high | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.035 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56 | -46.5 | 176.8 | -179.5 | -96.6 | 0 | 0 | 0 | 111.9 | Q265 I266 L273 F323 V648 L687 T690 I694 | Q265-F269 WeakPolarHBondContact O-CB 3.46Å; Q265-F269 PolarHBondContact O-N 2.99Å; I266-F269 PolarHBondContact O-N 3.03Å; F269-L273 VanDerWaalsContact O-CB 3.3Å; F269-L273 WeakPolarHBondContact O-CB 3.24Å; F269-L273 PolarHBondContact O-N 3.27Å; F269-F323 HydrophobicContact CE1-CD1 4.16Å; F269-F323 AromaticContact CE1-CE1 3.73Å; F269-F323 HydrophobicContact CE1-CE1 3.73Å; F269-F323 AromaticContact CE1-CZ 3.94Å; F269-F323 HydrophobicContact CE1-CZ 3.94Å; F269-F323 HydrophobicContact CZ-CE1 4.38Å; F269-F323 HydrophobicContact CZ-CZ 4.42Å; F269-V648 HydrophobicContact CE1-CG2 4.23Å; F269-V648 HydrophobicContact CZ-CG2 4.06Å; F269-L687 HydrophobicContact CD2-CD1 3.39Å; F269-L687 HydrophobicContact CD2-CG 4.32Å; F269-L687 HydrophobicContact CE2-CD1 3.61Å; F269-L687 HydrophobicContact CE2-CG 4.05Å; F269-L687 HydrophobicContact CG-CD1 4.15Å; F269-T690 WeakPolarHBondContact CD2-OG1 3.38Å; F269-I694 HydrophobicContact CB-CD1 3.92Å; F269-I694 HydrophobicContact CB-CG1 3.84Å; F269-I694 HydrophobicContact CD1-CG1 4.33Å; F269-I694 HydrophobicContact CD1-CG2 4.16Å; F269-I694 HydrophobicContact CD2-CG1 3.69Å; F269-I694 HydrophobicContact CE1-CG2 4.48Å; F269-I694 HydrophobicContact CE2-CG1 4.32Å; F269-I694 HydrophobicContact CG-CB 4.48Å; F269-I694 HydrophobicContact CG-CD1 4.33Å; F269-I694 HydrophobicContact CG-CG1 3.69Å; F269-I694 HydrophobicContact CG-CG2 4.36Å |
| 270 | N | 89.3 | Confident | 91.2 | Very high | 30 Ų | 30 | 52.4 Ų | 52.4 | 16% | 0.16 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 179.5 | -168.9 | 70.3 | 0 | 0 | 0 | 112.9 | I266 S267 Y268 L273 H274 I325 | I266-N270 PolarHBondContact O-N 3.01Å; S267-N270 PolarHBondContact O-N 2.96Å; Y268-N270 VanDerWaalsContact C-N 3.33Å; Y268-N270 PolarHBondContact O-N 3.35Å; N270-L273 WeakPolarHBondContact O-CB 3.33Å; N270-L273 PolarHBondContact O-N 3.42Å; N270-H274 PolarHBondContact ND2-CD2 3.32Å; N270-H274 PolarHBondContact ND2-NE2 2.94Å; N270-H274 PolarHBondContact O-CD2 2.69Å; N270-H274 PolarHBondContact O-N 3.15Å; N270-H274 VanDerWaalsContact O-N 3.11Å; N270-I325 HydrophobicContact CB-CD1 4.31Å; N270-I325 HydrophobicContact CB-CG1 3.87Å; N270-I325 WeakPolarHBondContact OD1-CG1 3.25Å |
| 271 | H | 89 | Confident | 91.1 | Very high | 128 Ų | 128 | 54.3 Ų | 54.3 | 59% | 0.593 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.2 | -48.8 | 177.8 | -173.8 | 71.6 | 0 | 0 | 0 | 111.5 | S267 Y268 L273 H274 E275 | S267-H271 WeakPolarHBondContact O-CB 3.41Å; S267-H271 PolarHBondContact O-N 3.44Å; Y268-H271 PolarHBondContact O-N 3.31Å; H271-L273 VanDerWaalsContact C-N 3.25Å; H271-L273 PolarHBondContact O-N 2.77Å; H271-H274 PolarHBondContact O-N 3.13Å; H271-E275 PolarHBondContact O-N 3.11Å; H271-E275 VanDerWaalsContact O-N 3.1Å |
| 272 | S | 90.2 | Very high | 91 | Very high | 15 Ų | 15 | 50.7 Ų | 50.7 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.1 | -33.1 | 176.2 | -67.1 | 0 | 0 | 0 | 0 | 112.3 | Y268 E275 V276 | Y268-S272 WeakPolarHBondContact O-CB 3.07Å; Y268-S272 PolarHBondContact O-N 2.86Å; Y268-S272 PolarHBondContact O-OG 3.47Å; S272-E275 PolarHBondContact O-N 2.86Å; S272-V276 VanDerWaalsContact O-CG2 3.3Å; S272-V276 WeakPolarHBondContact O-CG2 2.92Å; S272-V276 PolarHBondContact O-N 2.76Å |
| 273 | L | 89.4 | Confident | 91 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.5 | -48.5 | 172.9 | 177.7 | 68.1 | 0 | 0 | 0 | 112 | F269 N270 H271 E275 V276 I277 F323 L652 L687 | F269-L273 VanDerWaalsContact O-CB 3.3Å; F269-L273 WeakPolarHBondContact O-CB 3.24Å; F269-L273 PolarHBondContact O-N 3.27Å; N270-L273 WeakPolarHBondContact O-CB 3.33Å; N270-L273 PolarHBondContact O-N 3.42Å; H271-L273 VanDerWaalsContact C-N 3.25Å; H271-L273 PolarHBondContact O-N 2.77Å; L273-E275 VanDerWaalsContact C-N 3.28Å; L273-E275 PolarHBondContact O-N 3.01Å; L273-V276 PolarHBondContact O-N 2.54Å; L273-I277 HydrophobicContact CD1-CD1 4.03Å; L273-I277 HydrophobicContact CD1-CG1 4.24Å; L273-I277 HydrophobicContact CD2-CD1 4.41Å; L273-I277 HydrophobicContact CG-CD1 3.83Å; L273-I277 HydrophobicContact CG-CG1 4.39Å; L273-I277 WeakPolarHBondContact O-CB 3.17Å; L273-I277 VanDerWaalsContact O-CG1 3.22Å; L273-I277 WeakPolarHBondContact O-CG1 3.34Å; L273-I277 PolarHBondContact O-N 3.46Å; L273-F323 HydrophobicContact CD2-CD2 3.41Å; L273-F323 VanDerWaalsContact CD2-CD2 3.41Å; L273-F323 HydrophobicContact CD2-CE2 3.12Å; L273-F323 HydrophobicContact CD2-CZ 4.02Å; L273-F323 HydrophobicContact CG-CE2 4.49Å; L273-L652 HydrophobicContact CD1-CD1 3.44Å; L273-L652 VanDerWaalsContact CD1-CD1 3.44Å; L273-L687 VanDerWaalsContact CA-CD2 3.47Å; L273-L687 HydrophobicContact CB-CD2 3.98Å; L273-L687 HydrophobicContact CD1-CD2 4.11Å |
| 274 | H | 88.9 | Confident | 91 | Very high | 77 Ų | 77 | 52.6 Ų | 52.6 | 36% | 0.356 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 178.1 | -76.8 | -65.3 | 0 | 0 | 0 | 112.4 | N270 H271 I277 S278 | N270-H274 PolarHBondContact ND2-CD2 3.32Å; N270-H274 PolarHBondContact ND2-NE2 2.94Å; N270-H274 PolarHBondContact O-CD2 2.69Å; N270-H274 PolarHBondContact O-N 3.15Å; N270-H274 VanDerWaalsContact O-N 3.11Å; H271-H274 PolarHBondContact O-N 3.13Å; H274-I277 PolarHBondContact O-N 3.18Å; H274-S278 PolarHBondContact O-N 2.82Å; H274-S278 VanDerWaalsContact O-N 3.15Å |
| 275 | E | 90.1 | Very high | 91 | Very high | 115 Ų | 115 | 53.9 Ų | 53.9 | 54% | 0.537 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.1 | -48.9 | 174.4 | -171.5 | 176.3 | -168.8 | 0 | 0 | 111.3 | H271 S272 L273 I277 S278 E279 | H271-E275 PolarHBondContact O-N 3.11Å; H271-E275 VanDerWaalsContact O-N 3.1Å; S272-E275 PolarHBondContact O-N 2.86Å; L273-E275 VanDerWaalsContact C-N 3.28Å; L273-E275 PolarHBondContact O-N 3.01Å; E275-I277 VanDerWaalsContact C-N 3.31Å; E275-I277 PolarHBondContact O-N 3.38Å; E275-S278 PolarHBondContact O-N 3.38Å; E275-S278 VanDerWaalsContact O-N 3.15Å; E275-E279 HydrophobicContact CG-CG 4.43Å; E275-E279 WeakPolarHBondContact O-CB 3.49Å; E275-E279 WeakPolarHBondContact O-CG 3.48Å; E275-E279 PolarHBondContact O-N 2.95Å |
| 276 | V | 90 | Very high | 91 | Very high | 9 Ų | 9 | 57.5 Ų | 57.5 | 6% | 0.055 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 176.9 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | S272 L273 S278 E279 L280 L652 P684 L687 | S272-V276 VanDerWaalsContact O-CG2 3.3Å; S272-V276 WeakPolarHBondContact O-CG2 2.92Å; S272-V276 PolarHBondContact O-N 2.76Å; L273-V276 PolarHBondContact O-N 2.54Å; V276-S278 VanDerWaalsContact C-N 3.27Å; V276-S278 PolarHBondContact O-N 3.17Å; V276-E279 PolarHBondContact O-N 3.1Å; V276-L280 HydrophobicContact CG1-CB 4.35Å; V276-L280 WeakPolarHBondContact O-CB 3.48Å; V276-L280 PolarHBondContact O-N 3.23Å; V276-L652 HydrophobicContact CG1-CD2 3.99Å; V276-P684 HydrophobicContact CG1-CB 3.91Å; V276-L687 HydrophobicContact CB-CD2 4.31Å; V276-L687 HydrophobicContact CG2-CD2 3.99Å |
| 277 | I | 89.4 | Confident | 91.2 | Very high | 39 Ų | 39 | 57.3 Ų | 57.3 | 20% | 0.2 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 177.3 | -71 | 173.8 | 0 | 0 | 0 | 111.6 | L273 H274 E275 P281 V316 P320 | L273-I277 HydrophobicContact CD1-CD1 4.03Å; L273-I277 HydrophobicContact CD1-CG1 4.24Å; L273-I277 HydrophobicContact CD2-CD1 4.41Å; L273-I277 HydrophobicContact CG-CD1 3.83Å; L273-I277 HydrophobicContact CG-CG1 4.39Å; L273-I277 WeakPolarHBondContact O-CB 3.17Å; L273-I277 VanDerWaalsContact O-CG1 3.22Å; L273-I277 WeakPolarHBondContact O-CG1 3.34Å; L273-I277 PolarHBondContact O-N 3.46Å; H274-I277 PolarHBondContact O-N 3.18Å; E275-I277 VanDerWaalsContact C-N 3.31Å; E275-I277 PolarHBondContact O-N 3.38Å; I277-P281 WeakPolarHBondContact O-CD 3.04Å; I277-V316 HydrophobicContact CD1-CG1 4.37Å; I277-V316 HydrophobicContact CG1-CG1 3.87Å; I277-V316 HydrophobicContact CG1-CG2 4.11Å; I277-P320 HydrophobicContact CD1-CB 3.71Å; I277-P320 HydrophobicContact CD1-CG 4.48Å |
| 278 | S | 89.7 | Confident | 91.3 | Very high | 80 Ų | 80 | 55.2 Ų | 55.2 | 56% | 0.559 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -74.6 | -43 | 178 | -176.4 | 0 | 0 | 0 | 0 | 112.7 | H274 E275 V276 | H274-S278 PolarHBondContact O-N 2.82Å; H274-S278 VanDerWaalsContact O-N 3.15Å; E275-S278 PolarHBondContact O-N 3.38Å; E275-S278 VanDerWaalsContact O-N 3.15Å; V276-S278 VanDerWaalsContact C-N 3.27Å; V276-S278 PolarHBondContact O-N 3.17Å |
| 279 | E | 91.7 | Very high | 91.4 | Very high | 93 Ų | 93 | 53.1 Ų | 53.1 | 44% | 0.435 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -86.2 | -31.2 | -170.7 | -67.8 | -59.1 | 127.1 | 0 | 0 | 113.7 | E275 V276 P281 T282 I283 | E275-E279 HydrophobicContact CG-CG 4.43Å; E275-E279 WeakPolarHBondContact O-CB 3.49Å; E275-E279 WeakPolarHBondContact O-CG 3.48Å; E275-E279 PolarHBondContact O-N 2.95Å; V276-E279 PolarHBondContact O-N 3.1Å; E279-P281 VanDerWaalsContact C-CD 3.49Å; E279-T282 WeakPolarHBondContact O-CB 3.45Å; E279-T282 PolarHBondContact O-N 3.1Å; E279-I283 HydrophobicContact CB-CD1 4.17Å; E279-I283 WeakPolarHBondContact O-CG1 3.38Å; E279-I283 PolarHBondContact O-N 3.38Å |
| 280 | L | 92.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.5 | -40.5 | -174.5 | -170.3 | 70.1 | 0 | 0 | 0 | 113.8 | V276 T282 I283 R284 L314 V316 T653 L680 P684 | V276-L280 HydrophobicContact CG1-CB 4.35Å; V276-L280 WeakPolarHBondContact O-CB 3.48Å; V276-L280 PolarHBondContact O-N 3.23Å; L280-T282 VanDerWaalsContact C-N 3.3Å; L280-T282 PolarHBondContact O-N 3.1Å; L280-I283 PolarHBondContact O-N 2.67Å; L280-R284 VanDerWaalsContact O-CB 3.31Å; L280-R284 WeakPolarHBondContact O-CB 3.41Å; L280-R284 PolarHBondContact O-N 2.94Å; L280-L314 HydrophobicContact CD1-CD1 4.13Å; L280-L314 HydrophobicContact CD1-CG 4.09Å; L280-V316 HydrophobicContact CB-CG2 4.44Å; L280-V316 HydrophobicContact CD2-CG2 3.71Å; L280-T653 HydrophobicContact CD2-CG2 4.08Å; L280-L680 HydrophobicContact CD1-CD2 4.16Å; L280-P684 HydrophobicContact CD1-CB 4.48Å; L280-P684 HydrophobicContact CD1-CG 4.11Å |
| 281 | P | 92.3 | Very high | 91.7 | Very high | 62 Ų | 62 | 52.7 Ų | 52.7 | 40% | 0.403 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.1 | -39.8 | 175.2 | -25 | 35.4 | 0 | 0 | 0 | 113.2 | I277 E279 Q285 | I277-P281 WeakPolarHBondContact O-CD 3.04Å; E279-P281 VanDerWaalsContact C-CD 3.49Å; P281-Q285 WeakPolarHBondContact O-CB 3.37Å; P281-Q285 PolarHBondContact O-N 3.35Å |
| 282 | T | 93 | Very high | 91.8 | Very high | 73 Ų | 73 | 52 Ų | 52 | 45% | 0.448 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70 | -42.8 | 177.7 | -55 | 0 | 0 | 0 | 0 | 110.9 | E279 L280 Q285 R286 | E279-T282 WeakPolarHBondContact O-CB 3.45Å; E279-T282 PolarHBondContact O-N 3.1Å; L280-T282 VanDerWaalsContact C-N 3.3Å; L280-T282 PolarHBondContact O-N 3.1Å; T282-Q285 PolarHBondContact O-N 2.72Å; T282-R286 WeakPolarHBondContact O-CG 3.1Å; T282-R286 PolarHBondContact O-N 2.98Å |
| 283 | I | 92.6 | Very high | 91.7 | Very high | 23 Ų | 23 | 56.9 Ų | 56.9 | 12% | 0.118 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 175.3 | -64.8 | 167.5 | 0 | 0 | 0 | 110.2 | E279 L280 Q285 R286 L287 A679 L680 | E279-I283 HydrophobicContact CB-CD1 4.17Å; E279-I283 WeakPolarHBondContact O-CG1 3.38Å; E279-I283 PolarHBondContact O-N 3.38Å; L280-I283 PolarHBondContact O-N 2.67Å; I283-Q285 PolarHBondContact O-N 3.44Å; I283-R286 PolarHBondContact O-N 3.19Å; I283-L287 WeakPolarHBondContact O-CB 3.42Å; I283-L287 PolarHBondContact O-N 3.45Å; I283-A679 HydrophobicContact CD1-CB 3.93Å; I283-A679 HydrophobicContact CG1-CB 4.21Å; I283-L680 HydrophobicContact CG2-CD2 3.77Å; I283-L680 HydrophobicContact CG2-CG 3.96Å |
| 284 | R | 93.9 | Very high | 91.5 | Very high | 48 Ų | 48 | 58.7 Ų | 58.7 | 18% | 0.181 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.5 | -48 | 176.6 | 178.9 | -173.6 | 58.8 | 83.3 | 11.1 | 111.3 | L280 L287 T288 A310 N311 L314 | L280-R284 VanDerWaalsContact O-CB 3.31Å; L280-R284 WeakPolarHBondContact O-CB 3.41Å; L280-R284 PolarHBondContact O-N 2.94Å; R284-L287 PolarHBondContact O-N 3.18Å; R284-T288 WeakPolarHBondContact O-CB 3.49Å; R284-T288 PolarHBondContact O-N 3.09Å; R284-T288 PolarHBondContact O-OG1 3.23Å; R284-A310 WeakPolarHBondContact CD-O 3.32Å; R284-N311 PolarHBondContact NH1-OD1 3.01Å; R284-L314 HydrophobicContact CB-CD2 4.21Å; R284-L314 WeakPolarHBondContact CD-O 3.49Å; R284-L314 HydrophobicContact CG-CD2 4.46Å |
| 285 | Q | 93.6 | Very high | 91.4 | Very high | 85 Ų | 85 | 56.3 Ų | 56.3 | 40% | 0.397 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.8 | -50.9 | -178.9 | -173.4 | 60.1 | 38.9 | 0 | 0 | 111.2 | P281 T282 I283 L287 T288 D289 | P281-Q285 WeakPolarHBondContact O-CB 3.37Å; P281-Q285 PolarHBondContact O-N 3.35Å; T282-Q285 PolarHBondContact O-N 2.72Å; I283-Q285 PolarHBondContact O-N 3.44Å; Q285-L287 VanDerWaalsContact C-N 3.31Å; Q285-L287 PolarHBondContact O-N 3.15Å; Q285-T288 PolarHBondContact O-N 2.87Å; Q285-D289 PolarHBondContact NE2-OD1 3.3Å; Q285-D289 PolarHBondContact NE2-OD2 3.04Å; Q285-D289 PolarHBondContact O-N 2.83Å |
| 286 | R | 93.3 | Very high | 91.3 | Very high | 137 Ų | 137 | 53.1 Ų | 53.1 | 52% | 0.517 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.1 | -38.4 | 179.4 | -69.5 | 178.5 | 65.1 | -168.5 | -2.4 | 112.7 | T282 I283 T290 | T282-R286 WeakPolarHBondContact O-CG 3.1Å; T282-R286 PolarHBondContact O-N 2.98Å; I283-R286 PolarHBondContact O-N 3.19Å; R286-T290 WeakPolarHBondContact O-CB 3.48Å; R286-T290 PolarHBondContact O-N 3.49Å; R286-T290 PolarHBondContact O-OG1 3.42Å |
| 287 | L | 94.2 | Very high | 91 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 175 | 176.9 | 62.7 | 0 | 0 | 0 | 111.1 | I283 R284 Q285 T290 L291 A310 L314 F661 L665 L673 H676 L680 | I283-L287 WeakPolarHBondContact O-CB 3.42Å; I283-L287 PolarHBondContact O-N 3.45Å; R284-L287 PolarHBondContact O-N 3.18Å; Q285-L287 VanDerWaalsContact C-N 3.31Å; Q285-L287 PolarHBondContact O-N 3.15Å; L287-T290 PolarHBondContact O-N 3Å; L287-L291 HydrophobicContact CD1-CD1 4.08Å; L287-L291 HydrophobicContact CD1-CG 4.34Å; L287-L291 HydrophobicContact CG-CD1 4.03Å; L287-L291 WeakPolarHBondContact O-CG 3.31Å; L287-L291 PolarHBondContact O-N 3.08Å; L287-A310 HydrophobicContact CD2-CB 4.1Å; L287-L314 HydrophobicContact CD2-CD2 3.94Å; L287-F661 HydrophobicContact CD2-CE1 4.11Å; L287-F661 HydrophobicContact CD2-CZ 4Å; L287-L665 HydrophobicContact CD1-CD1 4.09Å; L287-L665 HydrophobicContact CD1-CD2 4.02Å; L287-L665 HydrophobicContact CD2-CD1 3.99Å; L287-L673 HydrophobicContact CD1-CD2 3.22Å; L287-H676 HydrophobicContact CD1-CB 4.14Å; L287-L680 HydrophobicContact CD2-CD1 4.15Å |
| 288 | T | 93.9 | Very high | 91 | Very high | 17 Ų | 17 | 64.2 Ų | 64.2 | 10% | 0.104 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63 | -44.5 | -179.8 | -50.5 | 0 | 0 | 0 | 0 | 110.8 | R284 Q285 T290 L291 N292 M307 | R284-T288 WeakPolarHBondContact O-CB 3.49Å; R284-T288 PolarHBondContact O-N 3.09Å; R284-T288 PolarHBondContact O-OG1 3.23Å; Q285-T288 PolarHBondContact O-N 2.87Å; T288-T290 VanDerWaalsContact C-N 3.33Å; T288-T290 PolarHBondContact O-N 2.86Å; T288-L291 PolarHBondContact O-N 3.42Å; T288-N292 WeakPolarHBondContact O-CB 3.3Å; T288-N292 PolarHBondContact O-N 3.43Å; T288-M307 HydrophobicContact CG2-CG 3.47Å; T288-M307 VanDerWaalsContact CG2-CG 3.47Å; T288-M307 HydrophobicContact CG2-SD 4.18Å |
| 289 | D | 93.1 | Very high | 90.9 | Very high | 73 Ų | 73 | 62.5 Ų | 62.5 | 39% | 0.39 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63 | -39.6 | 178.1 | -65.8 | -24.5 | 0 | 0 | 0 | 111.9 | Q285 N292 T293 | Q285-D289 PolarHBondContact NE2-OD1 3.3Å; Q285-D289 PolarHBondContact NE2-OD2 3.04Å; Q285-D289 PolarHBondContact O-N 2.83Å; D289-N292 PolarHBondContact O-N 3.16Å; D289-T293 WeakPolarHBondContact O-CB 3.11Å; D289-T293 WeakPolarHBondContact O-CG2 3.2Å; D289-T293 PolarHBondContact O-N 3.15Å; D289-T293 PolarHBondContact O-OG1 2.97Å |
| 290 | T | 92.6 | Very high | 90.8 | Very high | 24 Ų | 24 | 62.4 Ų | 62.4 | 15% | 0.147 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.3 | -40.4 | 177.8 | -59 | 0 | 0 | 0 | 0 | 112 | R286 L287 T288 N292 G294 L673 H676 | R286-T290 WeakPolarHBondContact O-CB 3.48Å; R286-T290 PolarHBondContact O-N 3.49Å; R286-T290 PolarHBondContact O-OG1 3.42Å; L287-T290 PolarHBondContact O-N 3Å; T288-T290 VanDerWaalsContact C-N 3.33Å; T288-T290 PolarHBondContact O-N 2.86Å; T290-N292 VanDerWaalsContact C-N 3.32Å; T290-G294 WeakPolarHBondContact O-CA 3.18Å; T290-G294 PolarHBondContact O-N 3.01Å; T290-L673 HydrophobicContact CG2-CG 4.32Å; T290-H676 PolarHBondContact OG1-NE2 3.31Å; T290-H676 VanDerWaalsContact OG1-NE2 3.09Å |
| 291 | L | 92.8 | Very high | 90.7 | Very high | 5 Ų | 5 | 68.5 Ų | 68.5 | 3% | 0.026 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.2 | -35.5 | 174.8 | -72 | 169.1 | 0 | 0 | 0 | 111.8 | L287 T288 C295 C303 L306 M307 L665 L668 L673 | L287-L291 HydrophobicContact CD1-CD1 4.08Å; L287-L291 HydrophobicContact CD1-CG 4.34Å; L287-L291 HydrophobicContact CG-CD1 4.03Å; L287-L291 WeakPolarHBondContact O-CG 3.31Å; L287-L291 PolarHBondContact O-N 3.08Å; T288-L291 PolarHBondContact O-N 3.42Å; L291-C295 WeakPolarHBondContact O-CB 3.38Å; L291-C303 HydrophobicContact CD2-CB 4.34Å; L291-L306 HydrophobicContact CD1-CB 4.33Å; L291-M307 HydrophobicContact CB-CB 3.98Å; L291-M307 HydrophobicContact CB-CG 4.25Å; L291-M307 HydrophobicContact CD1-CB 4Å; L291-L665 HydrophobicContact CD1-CD2 4.23Å; L291-L665 HydrophobicContact CD2-CD2 4.39Å; L291-L668 HydrophobicContact CD2-CD1 3.62Å; L291-L673 HydrophobicContact CD2-CD1 3.97Å; L291-L673 HydrophobicContact CD2-CD2 4.25Å; L291-L673 HydrophobicContact CG-CD2 4.46Å |
| 292 | N | 90 | Very high | 90.6 | Very high | 115 Ų | 115 | 70 Ų | 70 | 62% | 0.615 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -72.4 | -40.5 | 179 | -171.5 | 41.6 | 0 | 0 | 0 | 112.9 | T288 D289 T290 M307 | T288-N292 WeakPolarHBondContact O-CB 3.3Å; T288-N292 PolarHBondContact O-N 3.43Å; D289-N292 PolarHBondContact O-N 3.16Å; T290-N292 VanDerWaalsContact C-N 3.32Å; N292-M307 HydrophobicContact CB-SD 3.76Å |
| 293 | T | 88.4 | Confident | 90.6 | Very high | 116 Ų | 116 | 66.6 Ų | 66.6 | 71% | 0.712 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -98 | -28.4 | -171.6 | 56.6 | 0 | 0 | 0 | 0 | 114.5 | D289 | D289-T293 WeakPolarHBondContact O-CB 3.11Å; D289-T293 WeakPolarHBondContact O-CG2 3.2Å; D289-T293 PolarHBondContact O-N 3.15Å; D289-T293 PolarHBondContact O-OG1 2.97Å |
| 294 | G | 85.1 | Confident | 90.6 | Very high | 38 Ų | 38 | 72.8 Ų | 72.8 | 39% | 0.392 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -106.8 | 2.5 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | T290 M670 | T290-G294 WeakPolarHBondContact O-CA 3.18Å; T290-G294 PolarHBondContact O-N 3.01Å; G294-M670 WeakPolarHBondContact O-CE 3.39Å |
| 295 | C | 88.2 | Confident | 90.6 | Very high | 27 Ų | 27 | 75 Ų | 75 | 18% | 0.182 | 38% | 0.384 | C | S | . | . | trans | -76 | 132.8 | -169.8 | -169.3 | 0 | 0 | 0 | 0 | 113.5 | L291 K299 C303 | L291-C295 WeakPolarHBondContact O-CB 3.38Å; C295-K299 PolarHBondContact SG-O 3.49Å; C295-C303 HydrophobicContact CB-CB 3.64Å; C295-C303 WeakPolarHBondContact CB-SG 3.13Å; C295-C303 WeakPolarHBondContact SG-CB 3.5Å; C295-C303 CovalentContact SG-SG 2.02Å; C295-C303 PolarHBondContact SG-SG 2.95Å | ||
| 296 | P | 86.4 | Confident | 90.6 | Very high | 49 Ų | 49 | 71 Ų | 71 | 32% | 0.318 | 37% | 0.365 | S | S | . | . | trans | -59.6 | 144.9 | 168.8 | -22 | 33 | 0 | 0 | 0 | 112.5 | D298 K299 I300 M670 | P296-D298 WeakPolarHBondContact CB-OD1 3.49Å; P296-D298 PolarHBondContact O-N 3.15Å; P296-K299 PolarHBondContact O-N 2.86Å; P296-K299 VanDerWaalsContact O-N 3.09Å; P296-I300 PolarHBondContact O-N 2.6Å; P296-M670 VanDerWaalsContact CD-SD 3.52Å; P296-M670 HydrophobicContact CG-CG 4.31Å; P296-M670 HydrophobicContact CG-SD 4.39Å | ||
| 297 | I | 84.8 | Confident | 90.6 | Very high | 154 Ų | 154 | 66.2 Ų | 66.2 | 79% | 0.79 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -58.8 | -35.1 | -178.3 | -62.7 | 173 | 0 | 0 | 0 | 111.5 | K299 I300 | I297-K299 VanDerWaalsContact C-N 3.28Å; I297-K299 PolarHBondContact O-N 2.78Å; I297-I300 WeakPolarHBondContact O-CG2 3.24Å |
| 298 | D | 89.2 | Confident | 90.6 | Very high | 127 Ų | 127 | 71.1 Ų | 71.1 | 68% | 0.679 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -71.5 | -15.9 | -179.6 | 60.8 | -60 | 0 | 0 | 0 | 114.4 | P296 | P296-D298 WeakPolarHBondContact CB-OD1 3.49Å; P296-D298 PolarHBondContact O-N 3.15Å |
| 299 | K | 88.5 | Confident | 90.5 | Very high | 44 Ų | 44 | 72 Ų | 72 | 19% | 0.191 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -118.3 | 14.5 | -179.8 | -58.5 | -168.2 | 179.2 | -175.1 | 0 | 113.7 | C295 P296 I297 I301 E302 C303 A667 L668 | C295-K299 PolarHBondContact SG-O 3.49Å; P296-K299 PolarHBondContact O-N 2.86Å; P296-K299 VanDerWaalsContact O-N 3.09Å; I297-K299 VanDerWaalsContact C-N 3.28Å; I297-K299 PolarHBondContact O-N 2.78Å; K299-I301 PolarHBondContact O-N 2.76Å; K299-E302 WeakPolarHBondContact CA-OE2 3.26Å; K299-E302 PolarHBondContact O-N 3.48Å; K299-C303 PolarHBondContact O-N 3.48Å; K299-C303 PolarHBondContact O-SG 2.7Å; K299-A667 PolarHBondContact NZ-O 2.86Å; K299-L668 HydrophobicContact CB-CD2 4.21Å; K299-L668 HydrophobicContact CD-CD2 4Å; K299-L668 PolarHBondContact NZ-O 3.44Å |
| 300 | I | 88.7 | Confident | 90.6 | Very high | 91 Ų | 91 | 68.6 Ų | 68.6 | 47% | 0.467 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.7 | -27.2 | -168.9 | -159 | 156.5 | 0 | 0 | 0 | 113.1 | P296 I297 R304 | P296-I300 PolarHBondContact O-N 2.6Å; I297-I300 WeakPolarHBondContact O-CG2 3.24Å; I300-R304 WeakPolarHBondContact O-CB 3.13Å; I300-R304 PolarHBondContact O-N 2.9Å; I300-R304 VanDerWaalsContact O-N 3.12Å |
| 301 | I | 90 | Very high | 90.6 | Very high | 130 Ų | 130 | 70.7 Ų | 70.7 | 67% | 0.667 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -71.1 | -52 | 176.9 | -59.9 | 175.6 | 0 | 0 | 0 | 109.4 | K299 C303 R304 E305 | K299-I301 PolarHBondContact O-N 2.76Å; I301-C303 VanDerWaalsContact C-N 3.35Å; I301-C303 PolarHBondContact O-N 3.24Å; I301-R304 PolarHBondContact O-N 3.4Å; I301-E305 PolarHBondContact O-N 3.44Å |
| 302 | E | 91.1 | Very high | 90.6 | Very high | 93 Ų | 93 | 75.2 Ų | 75.2 | 44% | 0.435 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 178.7 | -66 | 85.3 | 167.4 | 0 | 0 | 111.9 | K299 E305 L306 L668 | K299-E302 WeakPolarHBondContact CA-OE2 3.26Å; K299-E302 PolarHBondContact O-N 3.48Å; E302-E305 PolarHBondContact O-N 2.87Å; E302-L306 WeakPolarHBondContact O-CB 3.12Å; E302-L306 WeakPolarHBondContact O-CG 2.97Å; E302-L306 PolarHBondContact O-N 2.78Å; E302-L668 HydrophobicContact CB-CD2 4.03Å |
| 303 | C | 92.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 73.6 Ų | 73.6 | 1% | 0.014 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 173.9 | -75.6 | 0 | 0 | 0 | 0 | 111.9 | L291 C295 K299 I301 M307 | L291-C303 HydrophobicContact CD2-CB 4.34Å; C295-C303 HydrophobicContact CB-CB 3.64Å; C295-C303 WeakPolarHBondContact CB-SG 3.13Å; C295-C303 WeakPolarHBondContact SG-CB 3.5Å; C295-C303 CovalentContact SG-SG 2.02Å; C295-C303 PolarHBondContact SG-SG 2.95Å; K299-C303 PolarHBondContact O-N 3.48Å; K299-C303 PolarHBondContact O-SG 2.7Å; I301-C303 VanDerWaalsContact C-N 3.35Å; I301-C303 PolarHBondContact O-N 3.24Å; C303-M307 WeakPolarHBondContact O-CB 2.96Å; C303-M307 PolarHBondContact O-N 3.18Å |
| 304 | R | 91.9 | Very high | 91 | Very high | 153 Ų | 153 | 68.1 Ų | 68.1 | 58% | 0.577 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.9 | -45.4 | 177.9 | -179.1 | -176.8 | -67 | -114.7 | -1.4 | 111.1 | I300 I301 M307 E308 | I300-R304 WeakPolarHBondContact O-CB 3.13Å; I300-R304 PolarHBondContact O-N 2.9Å; I300-R304 VanDerWaalsContact O-N 3.12Å; I301-R304 PolarHBondContact O-N 3.4Å; R304-M307 WeakPolarHBondContact O-CB 3.13Å; R304-M307 PolarHBondContact O-N 3.25Å; R304-E308 WeakPolarHBondContact O-CB 3.4Å; R304-E308 WeakPolarHBondContact O-CG 3.07Å; R304-E308 PolarHBondContact O-N 3.06Å |
| 305 | E | 93.7 | Very high | 91.3 | Very high | 94 Ų | 94 | 70.4 Ų | 70.4 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 178.6 | -166 | -161.5 | 148.5 | 0 | 0 | 111.6 | I301 E302 M307 E308 L309 R664 | I301-E305 PolarHBondContact O-N 3.44Å; E302-E305 PolarHBondContact O-N 2.87Å; E305-M307 VanDerWaalsContact C-N 3.31Å; E305-M307 PolarHBondContact O-N 3.17Å; E305-E308 PolarHBondContact O-N 3.15Å; E305-L309 VanDerWaalsContact O-CB 3.28Å; E305-L309 WeakPolarHBondContact O-CB 3.25Å; E305-L309 PolarHBondContact O-N 2.98Å; E305-R664 IonicContact OE1-CZ 3.5Å; E305-R664 IonicContact OE1-NH1 3.34Å; E305-R664 PolarHBondContact OE1-NH1 3.22Å; E305-R664 IonicContact OE1-NH2 2.73Å; E305-R664 PolarHBondContact OE1-NH2 3.34Å; E305-R664 IonicContact OE2-NH2 3.03Å; E305-R664 PolarHBondContact OE2-NH2 2.81Å |
| 306 | L | 94.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.8 | -33.7 | 177.4 | -73.1 | 167.3 | 0 | 0 | 0 | 112.3 | L291 E302 A310 F661 R664 L665 L668 | L291-L306 HydrophobicContact CD1-CB 4.33Å; E302-L306 WeakPolarHBondContact O-CB 3.12Å; E302-L306 WeakPolarHBondContact O-CG 2.97Å; E302-L306 PolarHBondContact O-N 2.78Å; L306-A310 WeakPolarHBondContact O-CB 3.17Å; L306-A310 PolarHBondContact O-N 3.41Å; L306-F661 HydrophobicContact CD2-CD2 3.92Å; L306-F661 HydrophobicContact CD2-CE2 3.78Å; L306-R664 HydrophobicContact CD1-CB 4.16Å; L306-R664 HydrophobicContact CD2-CB 3.71Å; L306-L665 HydrophobicContact CB-CD2 4.3Å; L306-L665 HydrophobicContact CD1-CD2 4.15Å; L306-L668 HydrophobicContact CD1-CD1 3.84Å; L306-L668 HydrophobicContact CD1-CD2 4.32Å; L306-L668 HydrophobicContact CD1-CG 4.13Å |
| 307 | M | 93.7 | Very high | 91.4 | Very high | 37 Ų | 37 | 73.6 Ų | 73.6 | 18% | 0.182 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.5 | -46.1 | 175.1 | -177 | -172.9 | 70.3 | 0 | 0 | 111.2 | T288 L291 N292 C303 R304 E305 A310 N311 | T288-M307 HydrophobicContact CG2-CG 3.47Å; T288-M307 VanDerWaalsContact CG2-CG 3.47Å; T288-M307 HydrophobicContact CG2-SD 4.18Å; L291-M307 HydrophobicContact CB-CB 3.98Å; L291-M307 HydrophobicContact CB-CG 4.25Å; L291-M307 HydrophobicContact CD1-CB 4Å; N292-M307 HydrophobicContact CB-SD 3.76Å; C303-M307 WeakPolarHBondContact O-CB 2.96Å; C303-M307 PolarHBondContact O-N 3.18Å; R304-M307 WeakPolarHBondContact O-CB 3.13Å; R304-M307 PolarHBondContact O-N 3.25Å; E305-M307 VanDerWaalsContact C-N 3.31Å; E305-M307 PolarHBondContact O-N 3.17Å; M307-A310 PolarHBondContact O-N 3.09Å; M307-N311 VanDerWaalsContact O-CB 3.3Å; M307-N311 WeakPolarHBondContact O-CB 3Å; M307-N311 PolarHBondContact O-N 2.95Å |
| 308 | E | 93 | Very high | 91.3 | Very high | 103 Ų | 103 | 66.6 Ų | 66.6 | 48% | 0.481 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.8 | -47.9 | 174.7 | -75.8 | 177.1 | -172.6 | 0 | 0 | 110.5 | R304 E305 A310 N311 D312 | R304-E308 WeakPolarHBondContact O-CB 3.4Å; R304-E308 WeakPolarHBondContact O-CG 3.07Å; R304-E308 PolarHBondContact O-N 3.06Å; E305-E308 PolarHBondContact O-N 3.15Å; E308-A310 VanDerWaalsContact C-N 3.35Å; E308-A310 PolarHBondContact O-N 3.38Å; E308-N311 PolarHBondContact O-N 3.14Å; E308-D312 WeakPolarHBondContact O-CB 2.66Å; E308-D312 PolarHBondContact O-N 3.03Å |
| 309 | L | 93.5 | Very high | 90.6 | Very high | 36 Ų | 36 | 63.3 Ų | 63.3 | 19% | 0.188 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 176.5 | -176.9 | 62.8 | 0 | 0 | 0 | 112.2 | E305 Q313 I655 F661 | E305-L309 VanDerWaalsContact O-CB 3.28Å; E305-L309 WeakPolarHBondContact O-CB 3.25Å; E305-L309 PolarHBondContact O-N 2.98Å; L309-Q313 HydrophobicContact CD1-CB 4.15Å; L309-Q313 VanDerWaalsContact CD1-CD 3.47Å; L309-Q313 HydrophobicContact CD1-CG 4.02Å; L309-Q313 WeakPolarHBondContact O-CA 3.06Å; L309-Q313 WeakPolarHBondContact O-CB 3.14Å; L309-Q313 PolarHBondContact O-N 3.49Å; L309-I655 HydrophobicContact CG-CD1 4.26Å; L309-F661 HydrophobicContact CD2-CD2 3.67Å; L309-F661 HydrophobicContact CD2-CE2 4.02Å; L309-F661 HydrophobicContact CG-CD2 4.28Å; L309-F661 HydrophobicContact CG-CE2 4.26Å |
| 310 | A | 93.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R284 L287 L306 M307 E308 D312 L314 F661 | R284-A310 WeakPolarHBondContact CD-O 3.32Å; L287-A310 HydrophobicContact CD2-CB 4.1Å; L306-A310 WeakPolarHBondContact O-CB 3.17Å; L306-A310 PolarHBondContact O-N 3.41Å; M307-A310 PolarHBondContact O-N 3.09Å; E308-A310 VanDerWaalsContact C-N 3.35Å; E308-A310 PolarHBondContact O-N 3.38Å; A310-D312 VanDerWaalsContact C-N 3.32Å; A310-D312 PolarHBondContact O-N 3.38Å; A310-L314 HydrophobicContact CB-CB 4.39Å; A310-L314 HydrophobicContact CB-CD2 4.38Å; A310-L314 WeakPolarHBondContact O-CB 3.19Å; A310-L314 PolarHBondContact O-N 3.45Å; A310-L314 VanDerWaalsContact O-N 3.1Å; A310-F661 HydrophobicContact CB-CE2 4.48Å; A310-F661 HydrophobicContact CB-CZ 3.89Å |
| 311 | N | 93.2 | Very high | 88.7 | Confident | 68 Ų | 68 | 66.4 Ų | 66.4 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.2 | -35.6 | -177.2 | -168 | 45.3 | 0 | 0 | 0 | 112.3 | R284 M307 E308 K315 | R284-N311 PolarHBondContact NH1-OD1 3.01Å; M307-N311 VanDerWaalsContact O-CB 3.3Å; M307-N311 WeakPolarHBondContact O-CB 3Å; M307-N311 PolarHBondContact O-N 2.95Å; E308-N311 PolarHBondContact O-N 3.14Å; N311-K315 WeakPolarHBondContact O-CE 3.43Å; N311-K315 PolarHBondContact O-NZ 2.74Å |
| 312 | D | 92.7 | Very high | 87.8 | Confident | 101 Ų | 101 | 61.8 Ų | 61.8 | 54% | 0.54 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -82.9 | -48.2 | -177.7 | -73.1 | -8.8 | 0 | 0 | 0 | 112.1 | E308 A310 K315 | E308-D312 WeakPolarHBondContact O-CB 2.66Å; E308-D312 PolarHBondContact O-N 3.03Å; A310-D312 VanDerWaalsContact C-N 3.32Å; A310-D312 PolarHBondContact O-N 3.38Å; D312-K315 PolarHBondContact O-NZ 3.49Å |
| 313 | Q | 94.3 | Very high | 87.1 | Confident | 81 Ų | 81 | 57.6 Ų | 57.6 | 38% | 0.379 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -113.5 | -18.1 | -165.2 | -60.1 | -172.2 | 15.9 | 0 | 0 | 115.6 | L309 K315 F654 I655 | L309-Q313 HydrophobicContact CD1-CB 4.15Å; L309-Q313 VanDerWaalsContact CD1-CD 3.47Å; L309-Q313 HydrophobicContact CD1-CG 4.02Å; L309-Q313 WeakPolarHBondContact O-CA 3.06Å; L309-Q313 WeakPolarHBondContact O-CB 3.14Å; L309-Q313 PolarHBondContact O-N 3.49Å; Q313-K315 PolarHBondContact O-N 2.95Å; Q313-F654 HydrophobicContact CB-CB 3.9Å; Q313-F654 HydrophobicContact CG-CB 4.28Å; Q313-F654 WeakPolarHBondContact O-CB 3.33Å; Q313-F654 PolarHBondContact O-N 3.43Å; Q313-F654 PolarHBondContact OE1-O 3.09Å; Q313-I655 HydrophobicContact CB-CD1 4.37Å; Q313-I655 HydrophobicContact CB-CG1 3.55Å |
| 314 | L | 93.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -77.9 | 56.7 | 176.1 | -168.8 | 68.4 | 0 | 0 | 0 | 111.2 | L280 R284 L287 A310 T653 I655 L658 F661 L680 | L280-L314 HydrophobicContact CD1-CD1 4.13Å; L280-L314 HydrophobicContact CD1-CG 4.09Å; R284-L314 HydrophobicContact CB-CD2 4.21Å; R284-L314 WeakPolarHBondContact CD-O 3.49Å; R284-L314 HydrophobicContact CG-CD2 4.46Å; L287-L314 HydrophobicContact CD2-CD2 3.94Å; A310-L314 HydrophobicContact CB-CB 4.39Å; A310-L314 HydrophobicContact CB-CD2 4.38Å; A310-L314 WeakPolarHBondContact O-CB 3.19Å; A310-L314 PolarHBondContact O-N 3.45Å; A310-L314 VanDerWaalsContact O-N 3.1Å; L314-T653 HydrophobicContact CD1-CG2 4.48Å; L314-I655 HydrophobicContact CB-CD1 4.1Å; L314-I655 HydrophobicContact CD1-CD1 4.11Å; L314-L658 HydrophobicContact CD1-CD1 3.72Å; L314-F661 HydrophobicContact CD1-CE1 4.31Å; L314-F661 HydrophobicContact CD2-CE1 4.15Å; L314-L680 HydrophobicContact CD1-CD2 4.14Å; L314-L680 HydrophobicContact CD2-CD2 4.1Å | ||
| 315 | K | 90.6 | Very high | 86.3 | Confident | 86 Ų | 86 | 53.5 Ų | 53.5 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -124 | 146.5 | 177.9 | -63.3 | 171.9 | -175.5 | 138.2 | 0 | 107.8 | N311 D312 Q313 R317 T653 F654 | N311-K315 WeakPolarHBondContact O-CE 3.43Å; N311-K315 PolarHBondContact O-NZ 2.74Å; D312-K315 PolarHBondContact O-NZ 3.49Å; Q313-K315 PolarHBondContact O-N 2.95Å; K315-R317 PolarHBondContact O-N 3.27Å; K315-T653 VanDerWaalsContact O-CA 3.24Å; K315-T653 WeakPolarHBondContact O-CA 3.47Å; K315-T653 WeakPolarHBondContact O-CB 3.48Å; K315-F654 HydrophobicContact CB-CD2 4.07Å; K315-F654 HydrophobicContact CB-CE2 4.19Å |
| 316 | V | 88.8 | Confident | 85.9 | Confident | 39 Ų | 39 | 57.3 Ų | 57.3 | 24% | 0.236 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -61.1 | 125.6 | 175.1 | -173.9 | 0 | 0 | 0 | 0 | 108.6 | I277 L280 V318 | I277-V316 HydrophobicContact CD1-CG1 4.37Å; I277-V316 HydrophobicContact CG1-CG1 3.87Å; I277-V316 HydrophobicContact CG1-CG2 4.11Å; L280-V316 HydrophobicContact CB-CG2 4.44Å; L280-V316 HydrophobicContact CD2-CG2 3.71Å; V316-V318 WeakPolarHBondContact CG1-O 3.49Å |
| 317 | R | 89.4 | Confident | 85.5 | Confident | 105 Ų | 105 | 60.5 Ų | 60.5 | 40% | 0.396 | 30% | 0.304 | S | S | . | . | trans | -90 | -29.2 | 177.1 | -177.5 | 176.5 | -178.5 | 171.7 | 1.4 | 112.1 | K315 L652 F654 D656 | K315-R317 PolarHBondContact O-N 3.27Å; R317-L652 PolarHBondContact N-O 3.08Å; R317-F654 HydrophobicContact CB-CD2 4.38Å; R317-F654 HydrophobicContact CB-CE1 4.46Å; R317-F654 HydrophobicContact CB-CE2 4.24Å; R317-F654 HydrophobicContact CB-CZ 4.28Å; R317-F654 HydrophobicContact CG-CD1 4.26Å; R317-F654 HydrophobicContact CG-CE1 3.97Å; R317-F654 HydrophobicContact CG-CZ 4.15Å; R317-D656 IonicContact NH1-OD1 3.3Å; R317-D656 PolarHBondContact NH1-OD1 2.88Å | ||
| 318 | V | 82.2 | Confident | 85.3 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 4% | 0.036 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -93.4 | 133.5 | -174.6 | -164.5 | 0 | 0 | 0 | 0 | 111.4 | V316 F323 Q647 T650 | V316-V318 WeakPolarHBondContact CG1-O 3.49Å; V318-F323 HydrophobicContact CG1-CE2 3.51Å; V318-F323 HydrophobicContact CG1-CZ 3.6Å; V318-Q647 HydrophobicContact CG1-CB 4.15Å; V318-T650 WeakPolarHBondContact CG2-OG1 3.47Å |
| 319 | P | 74.9 | Confident | 85.2 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 38% | 0.383 | 29% | 0.289 | S | S | . | . | trans | -76.7 | 145.5 | 178.5 | -3 | 19.9 | 0 | 0 | 0 | 111.6 | N321 V322 | P319-N321 PolarHBondContact O-N 3.39Å; P319-V322 HydrophobicContact CB-CG2 3.58Å; P319-V322 HydrophobicContact CG-CG2 3.67Å | ||
| 320 | P | 66.4 | Low | 85.1 | Confident | 56 Ų | 56 | 58.2 Ų | 58.2 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -34.1 | -170.2 | 15.9 | -27.6 | 0 | 0 | 0 | 115.5 | I277 | I277-P320 HydrophobicContact CD1-CB 3.71Å; I277-P320 HydrophobicContact CD1-CG 4.48Å |
| 321 | N | 69.2 | Low | 85 | Confident | 143 Ų | 143 | 58.8 Ų | 58.8 | 77% | 0.765 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 20.6 | -168.8 | -72.5 | 3.7 | 0 | 0 | 0 | 114.7 | P319 | P319-N321 PolarHBondContact O-N 3.39Š|
| 322 | V | 72.4 | Confident | 85 | Confident | 34 Ų | 34 | 55.7 Ų | 55.7 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | trans | -99.3 | -10.5 | -169.9 | -160.1 | 0 | 0 | 0 | 0 | 113.9 | P319 Q324 E643 Q647 | P319-V322 HydrophobicContact CB-CG2 3.58Å; P319-V322 HydrophobicContact CG-CG2 3.67Å; V322-Q324 PolarHBondContact O-N 3.25Å; V322-Q324 VanDerWaalsContact O-N 3.16Å; V322-E643 HydrophobicContact CG1-CG 3.65Å; V322-Q647 HydrophobicContact CB-CG 3.95Å; V322-Q647 HydrophobicContact CG1-CG 3.47Å; V322-Q647 VanDerWaalsContact CG1-CG 3.47Å | ||
| 323 | F | 75.4 | Confident | 85.1 | Confident | 5 Ų | 5 | 54 Ų | 54 | 2% | 0.022 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -77.8 | 3.7 | -174.9 | -71.6 | -80.6 | 0 | 0 | 0 | 115.3 | F269 L273 V318 I325 Q647 V648 F698 | F269-F323 HydrophobicContact CE1-CD1 4.16Å; F269-F323 AromaticContact CE1-CE1 3.73Å; F269-F323 HydrophobicContact CE1-CE1 3.73Å; F269-F323 AromaticContact CE1-CZ 3.94Å; F269-F323 HydrophobicContact CE1-CZ 3.94Å; F269-F323 HydrophobicContact CZ-CE1 4.38Å; F269-F323 HydrophobicContact CZ-CZ 4.42Å; L273-F323 HydrophobicContact CD2-CD2 3.41Å; L273-F323 VanDerWaalsContact CD2-CD2 3.41Å; L273-F323 HydrophobicContact CD2-CE2 3.12Å; L273-F323 HydrophobicContact CD2-CZ 4.02Å; L273-F323 HydrophobicContact CG-CE2 4.49Å; V318-F323 HydrophobicContact CG1-CE2 3.51Å; V318-F323 HydrophobicContact CG1-CZ 3.6Å; F323-I325 HydrophobicContact CB-CD1 3.98Å; F323-I325 HydrophobicContact CB-CG1 3.86Å; F323-I325 WeakPolarHBondContact O-CD1 3.2Å; F323-I325 PolarHBondContact O-N 3.33Å; F323-Q647 HydrophobicContact CE1-CB 4.33Å; F323-Q647 HydrophobicContact CZ-CB 4.39Å; F323-V648 HydrophobicContact CD1-CB 4.41Å; F323-V648 HydrophobicContact CE1-CB 3.74Å; F323-V648 HydrophobicContact CE1-CG2 4.04Å; F323-F698 HydrophobicContact CD1-CE2 4.01Å |
| 324 | Q | 82.5 | Confident | 85.1 | Confident | 51 Ų | 51 | 53 Ų | 53 | 24% | 0.238 | 27% | 0.272 | C | S | . | . | trans | 50 | 30.3 | 175.2 | -63.4 | 173.8 | -88.8 | 0 | 0 | 114.1 | V322 E326 E327 V328 D640 I641 A644 | V322-Q324 PolarHBondContact O-N 3.25Å; V322-Q324 VanDerWaalsContact O-N 3.16Å; Q324-E326 VanDerWaalsContact C-N 3.32Å; Q324-E326 PolarHBondContact O-N 3.1Å; Q324-E327 HydrophobicContact CB-CB 4.29Å; Q324-E327 PolarHBondContact NE2-OE2 3.49Å; Q324-E327 VanDerWaalsContact O-CB 3.28Å; Q324-E327 WeakPolarHBondContact O-CB 3.46Å; Q324-E327 PolarHBondContact O-N 2.94Å; Q324-V328 PolarHBondContact O-N 3.36Å; Q324-V328 VanDerWaalsContact O-N 3.1Å; Q324-D640 PolarHBondContact NE2-O 3.12Å; Q324-I641 HydrophobicContact CB-CG2 4.21Å; Q324-A644 HydrophobicContact CB-CB 4.43Å | ||
| 325 | I | 85.1 | Confident | 85.1 | Confident | 18 Ų | 18 | 53 Ų | 53 | 9% | 0.092 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.9 | -37.6 | -173.1 | -58.7 | -59.6 | 0 | 0 | 0 | 112.3 | I266 N270 F323 E327 V328 I329 F698 | I266-I325 HydrophobicContact CG2-CD1 3.38Å; N270-I325 HydrophobicContact CB-CD1 4.31Å; N270-I325 HydrophobicContact CB-CG1 3.87Å; N270-I325 WeakPolarHBondContact OD1-CG1 3.25Å; F323-I325 HydrophobicContact CB-CD1 3.98Å; F323-I325 HydrophobicContact CB-CG1 3.86Å; F323-I325 WeakPolarHBondContact O-CD1 3.2Å; F323-I325 PolarHBondContact O-N 3.33Å; I325-E327 PolarHBondContact O-N 2.99Å; I325-V328 PolarHBondContact O-N 3.1Å; I325-I329 HydrophobicContact CG2-CD1 3.75Å; I325-I329 HydrophobicContact CG2-CG1 4.27Å; I325-I329 WeakPolarHBondContact O-CG1 3.13Å; I325-I329 PolarHBondContact O-N 2.91Å; I325-F698 HydrophobicContact CD1-CE1 4.33Å; I325-F698 HydrophobicContact CD1-CZ 3.89Å |
| 326 | E | 85.9 | Confident | 85.4 | Confident | 174 Ų | 174 | 53.1 Ų | 53.1 | 81% | 0.813 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.6 | -36.7 | 175.6 | -64.4 | -174.4 | 166.5 | 0 | 0 | 111.8 | Q324 S330 | Q324-E326 VanDerWaalsContact C-N 3.32Å; Q324-E326 PolarHBondContact O-N 3.1Å; E326-S330 VanDerWaalsContact O-CB 3.23Å; E326-S330 WeakPolarHBondContact O-CB 3.35Å; E326-S330 PolarHBondContact O-N 3.08Å |
| 327 | E | 86.5 | Confident | 85.7 | Confident | 68 Ų | 68 | 59 Ų | 59 | 32% | 0.318 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.2 | -47.2 | 176.1 | -165 | -178.8 | 168.2 | 0 | 0 | 110.6 | Q324 I325 I329 S330 I331 | Q324-E327 HydrophobicContact CB-CB 4.29Å; Q324-E327 PolarHBondContact NE2-OE2 3.49Å; Q324-E327 VanDerWaalsContact O-CB 3.28Å; Q324-E327 WeakPolarHBondContact O-CB 3.46Å; Q324-E327 PolarHBondContact O-N 2.94Å; I325-E327 PolarHBondContact O-N 2.99Å; E327-I329 VanDerWaalsContact C-N 3.34Å; E327-I329 PolarHBondContact O-N 3.06Å; E327-S330 WeakPolarHBondContact O-CB 2.82Å; E327-S330 PolarHBondContact O-N 3.4Å; E327-I331 HydrophobicContact CG-CD1 3.87Å; E327-I331 WeakPolarHBondContact O-CB 3.49Å; E327-I331 WeakPolarHBondContact O-CD1 3.47Å; E327-I331 VanDerWaalsContact O-CG1 3.3Å; E327-I331 WeakPolarHBondContact O-CG1 3.25Å; E327-I331 PolarHBondContact O-N 3.24Å |
| 328 | V | 88.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.1 | -44.9 | 176 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | I263 I266 Q324 I325 S332 I641 F698 F701 | I263-V328 HydrophobicContact CD1-CG1 3.73Å; I266-V328 HydrophobicContact CD1-CG1 4.41Å; Q324-V328 PolarHBondContact O-N 3.36Å; Q324-V328 VanDerWaalsContact O-N 3.1Å; I325-V328 PolarHBondContact O-N 3.1Å; V328-S332 WeakPolarHBondContact O-CB 3.36Å; V328-S332 PolarHBondContact O-N 2.79Å; V328-I641 HydrophobicContact CG2-CG2 4.29Å; V328-F698 HydrophobicContact CG2-CE1 4.25Å; V328-F701 HydrophobicContact CB-CZ 4.34Å; V328-F701 HydrophobicContact CG1-CE2 4.15Å; V328-F701 HydrophobicContact CG1-CZ 4.12Å; V328-F701 HydrophobicContact CG2-CD1 4.43Å; V328-F701 HydrophobicContact CG2-CE1 4.01Å; V328-F701 HydrophobicContact CG2-CZ 4.3Å |
| 329 | I | 90.3 | Very high | 86.7 | Confident | 71 Ų | 71 | 58 Ų | 58 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.4 | -40.9 | 177.9 | -67.5 | 170.9 | 0 | 0 | 0 | 111.1 | I325 E327 S332 N333 | I325-I329 HydrophobicContact CG2-CD1 3.75Å; I325-I329 HydrophobicContact CG2-CG1 4.27Å; I325-I329 WeakPolarHBondContact O-CG1 3.13Å; I325-I329 PolarHBondContact O-N 2.91Å; E327-I329 VanDerWaalsContact C-N 3.34Å; E327-I329 PolarHBondContact O-N 3.06Å; I329-S332 WeakPolarHBondContact O-CB 3.44Å; I329-S332 PolarHBondContact O-N 2.78Å; I329-N333 PolarHBondContact O-N 3.35Å; I329-N333 PolarHBondContact O-ND2 2.64Å |
| 330 | S | 91.3 | Very high | 87.7 | Confident | 57 Ų | 57 | 59.4 Ų | 59.4 | 40% | 0.399 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.5 | -48.5 | 177 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | E326 E327 N333 Q334 | E326-S330 VanDerWaalsContact O-CB 3.23Å; E326-S330 WeakPolarHBondContact O-CB 3.35Å; E326-S330 PolarHBondContact O-N 3.08Å; E327-S330 WeakPolarHBondContact O-CB 2.82Å; E327-S330 PolarHBondContact O-N 3.4Å; S330-N333 PolarHBondContact O-N 3.21Å; S330-Q334 WeakPolarHBondContact O-CG 3.48Å; S330-Q334 PolarHBondContact O-N 3.06Å |
| 331 | I | 92 | Very high | 89.2 | Confident | 13 Ų | 13 | 57.8 Ų | 57.8 | 7% | 0.067 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 176.4 | -66.6 | 156.6 | 0 | 0 | 0 | 110.6 | E327 N333 Q334 I335 L636 V639 F701 | E327-I331 HydrophobicContact CG-CD1 3.87Å; E327-I331 WeakPolarHBondContact O-CB 3.49Å; E327-I331 WeakPolarHBondContact O-CD1 3.47Å; E327-I331 VanDerWaalsContact O-CG1 3.3Å; E327-I331 WeakPolarHBondContact O-CG1 3.25Å; E327-I331 PolarHBondContact O-N 3.24Å; I331-N333 VanDerWaalsContact C-N 3.3Å; I331-N333 PolarHBondContact O-N 3.16Å; I331-Q334 CarbonylContact O-C 3.52Å; I331-Q334 WeakPolarHBondContact O-CA 3.38Å; I331-Q334 WeakPolarHBondContact O-CB 3.19Å; I331-Q334 PolarHBondContact O-N 2.75Å; I331-I335 HydrophobicContact CG2-CD1 4.01Å; I331-I335 HydrophobicContact CG2-CG1 4.24Å; I331-I335 WeakPolarHBondContact O-CG1 3.49Å; I331-I335 PolarHBondContact O-N 3.36Å; I331-L636 HydrophobicContact CG2-CD2 3.68Å; I331-V639 HydrophobicContact CD1-CB 4.25Å; I331-V639 HydrophobicContact CD1-CG1 4.02Å; I331-V639 HydrophobicContact CD1-CG2 3.49Å; I331-V639 VanDerWaalsContact CD1-CG2 3.49Å; I331-V639 HydrophobicContact CG1-CG2 4.13Å; I331-V639 HydrophobicContact CG2-CG2 4.23Å; I331-F701 HydrophobicContact CB-CZ 3.8Å; I331-F701 HydrophobicContact CD1-CE1 3.83Å; I331-F701 HydrophobicContact CD1-CZ 3.72Å; I331-F701 HydrophobicContact CG1-CZ 4.4Å; I331-F701 HydrophobicContact CG2-CE2 4.07Å; I331-F701 HydrophobicContact CG2-CZ 3.59Å |
| 332 | S | 92.9 | Very high | 90.4 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -54.3 | -46.7 | 175.7 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | F256 P258 V328 I329 Q334 I335 Q336 | F256-S332 VanDerWaalsContact O-CB 3.25Å; F256-S332 WeakPolarHBondContact O-CB 3.49Å; F256-S332 PolarHBondContact O-OG 3.43Å; P258-S332 VanDerWaalsContact CD-OG 3.32Å; P258-S332 WeakPolarHBondContact CD-OG 3.46Å; V328-S332 WeakPolarHBondContact O-CB 3.36Å; V328-S332 PolarHBondContact O-N 2.79Å; I329-S332 WeakPolarHBondContact O-CB 3.44Å; I329-S332 PolarHBondContact O-N 2.78Å; S332-Q334 VanDerWaalsContact C-N 3.33Å; S332-Q334 PolarHBondContact O-N 3Å; S332-I335 PolarHBondContact O-N 3.11Å; S332-Q336 PolarHBondContact O-N 2.89Å |
| 333 | N | 94.4 | Very high | 91.5 | Very high | 67 Ų | 67 | 52.6 Ų | 52.6 | 36% | 0.358 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.7 | -33.6 | 174.4 | -73.8 | -48 | 0 | 0 | 0 | 112.8 | I329 S330 I331 Q336 R337 | I329-N333 PolarHBondContact O-N 3.35Å; I329-N333 PolarHBondContact O-ND2 2.64Å; S330-N333 PolarHBondContact O-N 3.21Å; I331-N333 VanDerWaalsContact C-N 3.3Å; I331-N333 PolarHBondContact O-N 3.16Å; N333-Q336 PolarHBondContact O-N 3.4Å; N333-R337 WeakPolarHBondContact O-CG 3.4Å; N333-R337 PolarHBondContact O-N 3.32Å; N333-R337 VanDerWaalsContact O-N 3.11Å |
| 334 | Q | 94.7 | Very high | 92.5 | Very high | 58 Ų | 58 | 56.8 Ų | 56.8 | 27% | 0.271 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.7 | -42 | 172.7 | -74.2 | -175.1 | 4.7 | 0 | 0 | 112.1 | S330 I331 S332 Q336 R337 H338 F635 | S330-Q334 WeakPolarHBondContact O-CG 3.48Å; S330-Q334 PolarHBondContact O-N 3.06Å; I331-Q334 CarbonylContact O-C 3.52Å; I331-Q334 WeakPolarHBondContact O-CA 3.38Å; I331-Q334 WeakPolarHBondContact O-CB 3.19Å; I331-Q334 PolarHBondContact O-N 2.75Å; S332-Q334 VanDerWaalsContact C-N 3.33Å; S332-Q334 PolarHBondContact O-N 3Å; Q334-Q336 VanDerWaalsContact C-N 3.3Å; Q334-Q336 PolarHBondContact O-N 3.49Å; Q334-R337 PolarHBondContact O-N 3.25Å; Q334-H338 PolarHBondContact O-CD2 3.28Å; Q334-H338 PolarHBondContact O-N 2.84Å; Q334-F635 HydrophobicContact CB-CD2 3.78Å; Q334-F635 HydrophobicContact CB-CE1 4.49Å; Q334-F635 HydrophobicContact CB-CE2 3.39Å; Q334-F635 HydrophobicContact CB-CG 4.47Å; Q334-F635 HydrophobicContact CB-CZ 3.81Å; Q334-F635 HydrophobicContact CG-CD2 4.48Å |
| 335 | I | 94.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58 | -45.4 | 173.5 | -63.8 | 169.1 | 0 | 0 | 0 | 109.6 | A253 L257 I331 S332 R337 H338 L339 F635 L636 | A253-I335 HydrophobicContact CB-CG2 4.27Å; L257-I335 HydrophobicContact CD2-CB 4.3Å; L257-I335 HydrophobicContact CD2-CG2 3.62Å; L257-I335 HydrophobicContact CG-CG2 4.47Å; I331-I335 HydrophobicContact CG2-CD1 4.01Å; I331-I335 HydrophobicContact CG2-CG1 4.24Å; I331-I335 WeakPolarHBondContact O-CG1 3.49Å; I331-I335 PolarHBondContact O-N 3.36Å; S332-I335 PolarHBondContact O-N 3.11Å; I335-R337 VanDerWaalsContact C-N 3.34Å; I335-R337 PolarHBondContact O-N 3.48Å; I335-H338 CarbonylContact O-C 3.51Å; I335-H338 VanDerWaalsContact O-C 3.29Å; I335-H338 PolarHBondContact O-N 3.5Å; I335-H338 VanDerWaalsContact O-N 3.16Å; I335-L339 WeakPolarHBondContact O-CA 3.24Å; I335-L339 PolarHBondContact O-N 2.97Å; I335-F635 HydrophobicContact CG1-CE2 4.24Å; I335-F635 HydrophobicContact CG1-CZ 4.46Å; I335-L636 HydrophobicContact CD1-CD2 4.08Å; I335-L636 HydrophobicContact CG1-CD2 3.84Å |
| 336 | Q | 96.4 | Very high | 93.5 | Very high | 88 Ų | 88 | 56.2 Ų | 56.2 | 41% | 0.411 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 176.9 | -177.3 | 66.6 | 43 | 0 | 0 | 112.4 | L257 P258 S332 N333 Q334 H338 L339 | L257-Q336 HydrophobicContact CD2-CB 4.19Å; P258-Q336 HydrophobicContact CG-CB 3.93Å; P258-Q336 HydrophobicContact CG-CG 4.35Å; S332-Q336 PolarHBondContact O-N 2.89Å; N333-Q336 PolarHBondContact O-N 3.4Å; Q334-Q336 VanDerWaalsContact C-N 3.3Å; Q334-Q336 PolarHBondContact O-N 3.49Å; Q336-H338 VanDerWaalsContact C-N 3.28Å; Q336-H338 PolarHBondContact O-N 3.49Å; Q336-L339 WeakPolarHBondContact O-CB 3.4Å; Q336-L339 PolarHBondContact O-N 3.27Å |
| 337 | R | 96.1 | Very high | 93.9 | Very high | 163 Ų | 163 | 50.8 Ų | 50.8 | 62% | 0.615 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -64.5 | -32.8 | 177.6 | -75.2 | -168.9 | -68.4 | -101.7 | 5.8 | 112.8 | N333 Q334 I335 | N333-R337 WeakPolarHBondContact O-CG 3.4Å; N333-R337 PolarHBondContact O-N 3.32Å; N333-R337 VanDerWaalsContact O-N 3.11Å; Q334-R337 PolarHBondContact O-N 3.25Å; I335-R337 VanDerWaalsContact C-N 3.34Å; I335-R337 PolarHBondContact O-N 3.48Å |
| 338 | H | 96.2 | Very high | 94.3 | Very high | 58 Ų | 58 | 47.5 Ų | 47.5 | 27% | 0.269 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 16.8 | 179 | -70 | -81.3 | 0 | 0 | 0 | 113.6 | Q334 I335 Q336 P340 D341 V342 L633 F635 | Q334-H338 PolarHBondContact O-CD2 3.28Å; Q334-H338 PolarHBondContact O-N 2.84Å; I335-H338 CarbonylContact O-C 3.51Å; I335-H338 VanDerWaalsContact O-C 3.29Å; I335-H338 PolarHBondContact O-N 3.5Å; I335-H338 VanDerWaalsContact O-N 3.16Å; Q336-H338 VanDerWaalsContact C-N 3.28Å; Q336-H338 PolarHBondContact O-N 3.49Å; H338-P340 VanDerWaalsContact C-CD 3.41Å; H338-P340 VanDerWaalsContact C-N 3.3Å; H338-D341 IonicContact CG-OD2 3.25Å; H338-D341 IonicContact ND1-OD2 3.69Å; H338-D341 PolarHBondContact ND1-OD2 2.9Å; H338-D341 WeakPolarHBondContact O-CB 3.47Å; H338-D341 PolarHBondContact O-N 3.11Å; H338-V342 PolarHBondContact O-N 3.26Å; H338-L633 HydrophobicContact CB-CD2 3.62Å; H338-F635 HydrophobicContact CB-CE1 4.08Å; H338-F635 HydrophobicContact CB-CZ 4.32Å; H338-F635 AromaticContact CD2-CE1 3.48Å; H338-F635 VanDerWaalsContact CD2-CE1 3.48Å; H338-F635 WeakPolarHBondContact CD2-CE1 3.27Å; H338-F635 AromaticContact CG-CE1 3.83Å |
| 339 | L | 95.7 | Very high | 94.5 | Very high | 31 Ų | 31 | 49.3 Ų | 49.3 | 16% | 0.162 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.7 | -38.2 | 178.8 | -176.3 | 61.3 | 0 | 0 | 0 | 113 | R254 L257 I335 Q336 D341 V342 D343 | R254-L339 HydrophobicContact CG-CD1 4.44Å; L257-L339 HydrophobicContact CD1-CD1 4.09Å; L257-L339 HydrophobicContact CD1-CD2 4.27Å; L257-L339 HydrophobicContact CD2-CD1 4.32Å; I335-L339 WeakPolarHBondContact O-CA 3.24Å; I335-L339 PolarHBondContact O-N 2.97Å; Q336-L339 WeakPolarHBondContact O-CB 3.4Å; Q336-L339 PolarHBondContact O-N 3.27Å; L339-D341 PolarHBondContact O-N 3.27Å; L339-V342 HydrophobicContact CD1-CB 4.38Å; L339-V342 WeakPolarHBondContact O-CB 3.48Å; L339-V342 PolarHBondContact O-N 2.81Å; L339-V342 VanDerWaalsContact O-N 3.08Å; L339-D343 PolarHBondContact O-N 2.94Å |
| 340 | P | 96.3 | Very high | 94.7 | Very high | 90 Ų | 90 | 51 Ų | 51 | 58% | 0.584 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -58.1 | -34.1 | 173.6 | -26.4 | 36.3 | 0 | 0 | 0 | 113.9 | H338 D343 Y344 | H338-P340 VanDerWaalsContact C-CD 3.41Å; H338-P340 VanDerWaalsContact C-N 3.3Å; P340-D343 PolarHBondContact O-N 2.03Å; P340-Y344 VanDerWaalsContact O-CB 3.28Å; P340-Y344 WeakPolarHBondContact O-CB 3.37Å; P340-Y344 PolarHBondContact O-N 2.84Å |
| 341 | D | 96.3 | Very high | 94.7 | Very high | 22 Ų | 22 | 49.1 Ų | 49.1 | 12% | 0.118 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.8 | -40.6 | 175.5 | -70.3 | -59.7 | 0 | 0 | 0 | 111 | H338 L339 Y344 A629 R632 L633 | H338-D341 IonicContact CG-OD2 3.25Å; H338-D341 IonicContact ND1-OD2 3.69Å; H338-D341 PolarHBondContact ND1-OD2 2.9Å; H338-D341 WeakPolarHBondContact O-CB 3.47Å; H338-D341 PolarHBondContact O-N 3.11Å; L339-D341 PolarHBondContact O-N 3.27Å; D341-Y344 PolarHBondContact O-N 2.82Å; D341-A629 HydrophobicContact CB-CB 4.16Å; D341-R632 IonicContact OD1-CZ 3.46Å; D341-R632 IonicContact OD1-NE 3.03Å; D341-R632 PolarHBondContact OD1-NE 3.33Å; D341-R632 IonicContact OD1-NH2 2.75Å; D341-R632 PolarHBondContact OD1-NH2 3.11Å; D341-R632 IonicContact OD2-NE 2.84Å; D341-L633 HydrophobicContact CB-CD1 4.2Å; D341-L633 HydrophobicContact CB-CD2 4.36Å; D341-L633 HydrophobicContact CB-CG 4.18Å |
| 342 | V | 95.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63 | -43.5 | 174.4 | 179 | 0 | 0 | 0 | 0 | 110.8 | F249 Q250 A253 H338 L339 L345 L633 | F249-V342 HydrophobicContact CE1-CG2 4.38Å; Q250-V342 HydrophobicContact CB-CG1 4.21Å; Q250-V342 HydrophobicContact CG-CG1 3.89Å; Q250-V342 PolarHBondContact NE2-O 2.82Å; A253-V342 HydrophobicContact CB-CG1 4.25Å; A253-V342 HydrophobicContact CB-CG2 4.48Å; H338-V342 PolarHBondContact O-N 3.26Å; L339-V342 HydrophobicContact CD1-CB 4.38Å; L339-V342 WeakPolarHBondContact O-CB 3.48Å; L339-V342 PolarHBondContact O-N 2.81Å; L339-V342 VanDerWaalsContact O-N 3.08Å; V342-L345 WeakPolarHBondContact O-CB 3.35Å; V342-L345 PolarHBondContact O-N 2.89Å; V342-L633 HydrophobicContact CG2-CD1 4.04Å; V342-L633 HydrophobicContact CG2-CD2 3.96Å |
| 343 | D | 95.2 | Very high | 94.5 | Very high | 67 Ų | 67 | 53.8 Ų | 53.8 | 36% | 0.358 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69 | -36.5 | 179.4 | -71.6 | -22.3 | 0 | 0 | 0 | 112.3 | R254 L339 P340 L345 N346 | R254-D343 IonicContact CZ-OD1 3.83Å; R254-D343 IonicContact NE-OD1 3.33Å; R254-D343 PolarHBondContact NE-OD1 3.4Å; R254-D343 IonicContact NH2-OD1 2.81Å; R254-D343 PolarHBondContact NH2-OD1 2.85Å; L339-D343 PolarHBondContact O-N 2.94Å; P340-D343 PolarHBondContact O-N 2.03Å; D343-L345 PolarHBondContact O-N 3.14Å; D343-N346 VanDerWaalsContact O-CB 3.32Å; D343-N346 WeakPolarHBondContact O-CB 3.44Å; D343-N346 PolarHBondContact O-N 2.8Å; D343-N346 VanDerWaalsContact O-N 3.1Å; D343-N346 PolarHBondContact O-ND2 3.44Å |
| 344 | Y | 95.3 | Very high | 94.3 | Very high | 92 Ų | 92 | 54.1 Ų | 54.1 | 36% | 0.361 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.1 | -27.5 | 178 | -173.6 | -88.1 | 0 | 0 | 0 | 112.5 | P340 D341 N346 E347 S625 | P340-Y344 VanDerWaalsContact O-CB 3.28Å; P340-Y344 WeakPolarHBondContact O-CB 3.37Å; P340-Y344 PolarHBondContact O-N 2.84Å; D341-Y344 PolarHBondContact O-N 2.82Å; Y344-N346 PolarHBondContact O-N 2.77Å; Y344-E347 HydrophobicContact CE1-CB 4.27Å; Y344-E347 HydrophobicContact CE2-CG 4.47Å; Y344-E347 WeakPolarHBondContact O-CB 3.37Å; Y344-E347 PolarHBondContact O-N 3.5Å; Y344-S625 WeakPolarHBondContact OH-CB 3.46Å; Y344-S625 PolarHBondContact OH-OG 3.41Å |
| 345 | L | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -22.7 | 176.9 | -58.4 | 174.8 | 0 | 0 | 0 | 113.4 | I246 F249 Q250 V342 D343 E347 F348 C626 A629 F630 | I246-L345 HydrophobicContact CG2-CB 3.57Å; I246-L345 HydrophobicContact CG2-CD1 4.44Å; F249-L345 HydrophobicContact CD1-CD1 3.7Å; F249-L345 HydrophobicContact CE1-CD1 3.74Å; Q250-L345 HydrophobicContact CG-CB 4.47Å; Q250-L345 HydrophobicContact CG-CD1 4.24Å; V342-L345 WeakPolarHBondContact O-CB 3.35Å; V342-L345 PolarHBondContact O-N 2.89Å; D343-L345 PolarHBondContact O-N 3.14Å; L345-E347 PolarHBondContact O-N 3.21Å; L345-F348 PolarHBondContact O-N 3.26Å; L345-C626 HydrophobicContact CD2-CB 3.98Å; L345-A629 HydrophobicContact CD2-CB 4.11Å; L345-F630 HydrophobicContact CD1-CD1 4.49Å; L345-F630 HydrophobicContact CD1-CE1 3.68Å; L345-F630 HydrophobicContact CD1-CE2 4.13Å; L345-F630 HydrophobicContact CD1-CZ 3.47Å; L345-F630 VanDerWaalsContact CD1-CZ 3.47Å; L345-F630 HydrophobicContact CD2-CD2 4Å; L345-F630 HydrophobicContact CD2-CE1 4.43Å; L345-F630 HydrophobicContact CD2-CE2 3.61Å; L345-F630 HydrophobicContact CD2-CZ 3.86Å; L345-F630 HydrophobicContact CG-CZ 4.3Å |
| 346 | N | 94.4 | Very high | 93.9 | Very high | 57 Ų | 57 | 52 Ų | 52 | 31% | 0.305 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.3 | 172.5 | -72.5 | -30.1 | 0 | 0 | 0 | 113.4 | Q250 D343 Y344 F348 N349 K350 | Q250-N346 VanDerWaalsContact NE2-CG 3.27Å; Q250-N346 PolarHBondContact NE2-OD1 3.4Å; Q250-N346 PolarHBondContact OE1-OD1 3.1Å; D343-N346 VanDerWaalsContact O-CB 3.32Å; D343-N346 WeakPolarHBondContact O-CB 3.44Å; D343-N346 PolarHBondContact O-N 2.8Å; D343-N346 VanDerWaalsContact O-N 3.1Å; D343-N346 PolarHBondContact O-ND2 3.44Å; Y344-N346 PolarHBondContact O-N 2.77Å; N346-F348 PolarHBondContact O-N 3.43Å; N346-N349 PolarHBondContact O-N 2.93Å; N346-N349 VanDerWaalsContact O-N 3.11Å; N346-K350 PolarHBondContact O-N 3.48Å; N346-K350 VanDerWaalsContact O-N 3.09Å |
| 347 | E | 94.6 | Very high | 93.6 | Very high | 60 Ų | 60 | 51.1 Ų | 51.1 | 28% | 0.28 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.4 | -27.1 | 178.8 | -159.8 | 61.8 | -158.8 | 0 | 0 | 112 | Y344 L345 K350 T351 T622 | Y344-E347 HydrophobicContact CE1-CB 4.27Å; Y344-E347 HydrophobicContact CE2-CG 4.47Å; Y344-E347 WeakPolarHBondContact O-CB 3.37Å; Y344-E347 PolarHBondContact O-N 3.5Å; L345-E347 PolarHBondContact O-N 3.21Å; E347-K350 PolarHBondContact O-N 3.47Å; E347-K350 WeakPolarHBondContact OE2-CD 3.2Å; E347-K350 IonicContact OE2-NZ 3.26Å; E347-K350 PolarHBondContact OE2-NZ 2.67Å; E347-T351 WeakPolarHBondContact O-CB 3.21Å; E347-T351 PolarHBondContact O-N 2.98Å; E347-T351 PolarHBondContact O-OG1 3.11Å; E347-T622 HydrophobicContact CB-CG2 4.26Å; E347-T622 HydrophobicContact CG-CG2 4.3Å |
| 348 | F | 94.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.9 | -51.4 | 171.5 | -175.9 | -98.5 | 0 | 0 | 0 | 111.6 | A239 V242 I246 L345 N346 K350 T351 I352 T622 I623 L715 Y718 | A239-F348 HydrophobicContact CB-CZ 4.43Å; V242-F348 HydrophobicContact CB-CD1 4.3Å; V242-F348 HydrophobicContact CB-CE1 3.47Å; V242-F348 VanDerWaalsContact CB-CE1 3.47Å; V242-F348 HydrophobicContact CB-CE2 4.45Å; V242-F348 HydrophobicContact CB-CZ 3.57Å; V242-F348 HydrophobicContact CG1-CD1 3.85Å; V242-F348 HydrophobicContact CG1-CD2 4.27Å; V242-F348 HydrophobicContact CG1-CE1 3.43Å; V242-F348 VanDerWaalsContact CG1-CE1 3.43Å; V242-F348 HydrophobicContact CG1-CE2 3.91Å; V242-F348 HydrophobicContact CG1-CG 4.25Å; V242-F348 HydrophobicContact CG1-CZ 3.48Å; V242-F348 VanDerWaalsContact CG1-CZ 3.48Å; V242-F348 HydrophobicContact CG2-CE1 4.4Å; V242-F348 HydrophobicContact CG2-CZ 4.04Å; I246-F348 HydrophobicContact CD1-CB 3.97Å; I246-F348 HydrophobicContact CD1-CD1 4.23Å; I246-F348 HydrophobicContact CD1-CG 4.13Å; L345-F348 PolarHBondContact O-N 3.26Å; N346-F348 PolarHBondContact O-N 3.43Å; F348-K350 VanDerWaalsContact C-N 3.34Å; F348-K350 PolarHBondContact O-N 3.36Å; F348-T351 WeakPolarHBondContact O-CB 3.37Å; F348-T351 PolarHBondContact O-N 3.18Å; F348-T351 VanDerWaalsContact O-N 3.12Å; F348-I352 HydrophobicContact CD1-CD1 3.77Å; F348-I352 HydrophobicContact CE1-CD1 3.34Å; F348-I352 HydrophobicContact CE1-CG1 4.44Å; F348-I352 HydrophobicContact CZ-CD1 3.87Å; F348-I352 PolarHBondContact O-N 3.41Å; F348-T622 HydrophobicContact CB-CG2 4.26Å; F348-I623 HydrophobicContact CE2-CG1 4.49Å; F348-L715 HydrophobicContact CD2-CD2 4.17Å; F348-L715 HydrophobicContact CE2-CD2 4.31Å; F348-Y718 HydrophobicContact CE2-CD1 4.11Å; F348-Y718 AromaticContact CE2-CE1 3.93Å; F348-Y718 HydrophobicContact CE2-CE1 3.93Å; F348-Y718 HydrophobicContact CZ-CD1 4.32Å; F348-Y718 HydrophobicContact CZ-CD2 4.39Å; F348-Y718 HydrophobicContact CZ-CE1 4.12Å; F348-Y718 HydrophobicContact CZ-CE2 4.18Å; F348-Y718 HydrophobicContact CZ-CG 4.46Å |
| 349 | N | 93.2 | Very high | 92.9 | Very high | 38 Ų | 38 | 43.7 Ų | 43.7 | 20% | 0.203 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.6 | -36.9 | 177.9 | -74.3 | -1.3 | 0 | 0 | 0 | 112.2 | S243 N346 T351 I352 N353 | S243-N349 WeakPolarHBondContact CB-OD1 3.34Å; S243-N349 PolarHBondContact OG-ND2 3.44Å; S243-N349 PolarHBondContact OG-OD1 3.39Å; S243-N349 VanDerWaalsContact OG-OD1 3.09Å; N346-N349 PolarHBondContact O-N 2.93Å; N346-N349 VanDerWaalsContact O-N 3.11Å; N349-T351 VanDerWaalsContact C-N 3.29Å; N349-T351 PolarHBondContact O-N 3.14Å; N349-I352 PolarHBondContact O-N 3.45Å; N349-N353 WeakPolarHBondContact O-CB 3.34Å; N349-N353 VanDerWaalsContact O-CG 3.28Å; N349-N353 PolarHBondContact O-N 3.42Å |
| 350 | K | 93.4 | Very high | 92.6 | Very high | 107 Ų | 107 | 46 Ų | 46 | 47% | 0.465 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.8 | -35.1 | 173.1 | -64.8 | -171.3 | -152.4 | 148.7 | 0 | 112.6 | N346 E347 F348 I352 N354 | N346-K350 PolarHBondContact O-N 3.48Å; N346-K350 VanDerWaalsContact O-N 3.09Å; E347-K350 PolarHBondContact O-N 3.47Å; E347-K350 WeakPolarHBondContact OE2-CD 3.2Å; E347-K350 IonicContact OE2-NZ 3.26Å; E347-K350 PolarHBondContact OE2-NZ 2.67Å; F348-K350 VanDerWaalsContact C-N 3.34Å; F348-K350 PolarHBondContact O-N 3.36Å; K350-I352 VanDerWaalsContact C-N 3.33Å; K350-N354 VanDerWaalsContact O-CB 3.32Å; K350-N354 WeakPolarHBondContact O-CB 3.38Å; K350-N354 PolarHBondContact O-N 2.81Å; K350-N354 PolarHBondContact O-ND2 3.06Å |
| 351 | T | 92.4 | Very high | 92.3 | Very high | 16 Ų | 16 | 49.2 Ų | 49.2 | 10% | 0.098 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.4 | -39 | 178.2 | -55.8 | 0 | 0 | 0 | 0 | 110.6 | E347 F348 N349 F619 T622 | E347-T351 WeakPolarHBondContact O-CB 3.21Å; E347-T351 PolarHBondContact O-N 2.98Å; E347-T351 PolarHBondContact O-OG1 3.11Å; F348-T351 WeakPolarHBondContact O-CB 3.37Å; F348-T351 PolarHBondContact O-N 3.18Å; F348-T351 VanDerWaalsContact O-N 3.12Å; N349-T351 VanDerWaalsContact C-N 3.29Å; N349-T351 PolarHBondContact O-N 3.14Å; T351-F619 HydrophobicContact CG2-CD1 3.95Å; T351-F619 HydrophobicContact CG2-CD2 4.09Å; T351-F619 HydrophobicContact CG2-CE1 3.89Å; T351-F619 HydrophobicContact CG2-CE2 4.05Å; T351-F619 HydrophobicContact CG2-CG 4.06Å; T351-F619 HydrophobicContact CG2-CZ 3.95Å; T351-T622 PolarHBondContact OG1-OG1 3.41Å |
| 352 | I | 89.8 | Confident | 91.8 | Very high | 8 Ų | 8 | 51.6 Ų | 51.6 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.3 | -53.4 | 175.6 | -63.2 | 161.3 | 0 | 0 | 0 | 111.2 | A239 F348 N349 K350 N354 L355 F619 | A239-I352 HydrophobicContact CB-CD1 3.56Å; A239-I352 HydrophobicContact CB-CG1 4.25Å; F348-I352 HydrophobicContact CD1-CD1 3.77Å; F348-I352 HydrophobicContact CE1-CD1 3.34Å; F348-I352 HydrophobicContact CE1-CG1 4.44Å; F348-I352 HydrophobicContact CZ-CD1 3.87Å; F348-I352 PolarHBondContact O-N 3.41Å; N349-I352 PolarHBondContact O-N 3.45Å; K350-I352 VanDerWaalsContact C-N 3.33Å; I352-N354 PolarHBondContact O-N 2.76Å; I352-N354 VanDerWaalsContact O-N 3.14Å; I352-L355 WeakPolarHBondContact O-CB 3.48Å; I352-L355 PolarHBondContact O-N 3.4Å; I352-F619 HydrophobicContact CG1-CE1 3.74Å; I352-F619 HydrophobicContact CG1-CZ 4.22Å |
| 353 | N | 90 | Very high | 91.5 | Very high | 105 Ų | 105 | 52.1 Ų | 52.1 | 56% | 0.561 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -69.8 | -12.8 | -173.8 | -65.1 | -10.9 | 0 | 0 | 0 | 113.9 | N349 | N349-N353 WeakPolarHBondContact O-CB 3.34Å; N349-N353 VanDerWaalsContact O-CG 3.28Å; N349-N353 PolarHBondContact O-N 3.42Å |
| 354 | N | 90.3 | Very high | 91.2 | Very high | 75 Ų | 75 | 50.8 Ų | 50.8 | 40% | 0.401 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 5.5 | 173.8 | -72.1 | -49.8 | 0 | 0 | 0 | 112.4 | K350 I352 V357 N358 | K350-N354 VanDerWaalsContact O-CB 3.32Å; K350-N354 WeakPolarHBondContact O-CB 3.38Å; K350-N354 PolarHBondContact O-N 2.81Å; K350-N354 PolarHBondContact O-ND2 3.06Å; I352-N354 PolarHBondContact O-N 2.76Å; I352-N354 VanDerWaalsContact O-N 3.14Å; N354-V357 PolarHBondContact O-N 3.35Å; N354-N358 VanDerWaalsContact O-CB 3.28Å; N354-N358 WeakPolarHBondContact O-CB 3.22Å; N354-N358 PolarHBondContact O-N 2.9Å; N354-N358 PolarHBondContact O-ND2 3.42Å; N354-N358 VanDerWaalsContact O-ND2 3.16Å |
| 355 | L | 90.2 | Very high | 90.8 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -52.8 | -176 | 176 | 59.1 | 0 | 0 | 0 | 111.1 | F229 E230 F233 I352 V357 N358 V359 L615 F619 | F229-L355 HydrophobicContact CD1-CD2 4.47Å; F229-L355 HydrophobicContact CE1-CD1 4.26Å; F229-L355 HydrophobicContact CE1-CD2 3.91Å; F229-L355 HydrophobicContact CE1-CG 4.04Å; E230-L355 HydrophobicContact CG-CB 4.22Å; E230-L355 HydrophobicContact CG-CD2 4.5Å; E230-L355 PolarHBondContact OE2-N 3.46Å; F233-L355 HydrophobicContact CB-CD2 3.88Å; F233-L355 HydrophobicContact CD1-CD2 3.37Å; F233-L355 HydrophobicContact CD2-CD2 4.42Å; F233-L355 HydrophobicContact CE1-CD2 4Å; F233-L355 HydrophobicContact CG-CD2 3.61Å; I352-L355 WeakPolarHBondContact O-CB 3.48Å; I352-L355 PolarHBondContact O-N 3.4Å; L355-V357 VanDerWaalsContact C-N 3.27Å; L355-V357 PolarHBondContact O-N 2.94Å; L355-N358 PolarHBondContact O-N 3.18Å; L355-V359 HydrophobicContact CD1-CG2 3.97Å; L355-V359 WeakPolarHBondContact O-CB 3.33Å; L355-V359 VanDerWaalsContact O-CG2 3.29Å; L355-V359 WeakPolarHBondContact O-CG2 3.16Å; L355-V359 PolarHBondContact O-N 3.13Å; L355-L615 HydrophobicContact CD1-CD1 4.37Å; L355-L615 HydrophobicContact CD1-CD2 3.56Å; L355-F619 HydrophobicContact CD1-CE2 4.24Å |
| 356 | A | 90.2 | Very high | 90.4 | Very high | 12 Ų | 12 | 53.6 Ų | 53.6 | 10% | 0.099 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.5 | -42.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L226 E230 K360 | L226-A356 HydrophobicContact CB-CB 4.27Å; E230-A356 HydrophobicContact CB-CB 4.14Å; E230-A356 VanDerWaalsContact OE2-CB 3.31Å; E230-A356 WeakPolarHBondContact OE2-CB 3.45Å; E230-A356 PolarHBondContact OE2-N 2.82Å; A356-K360 WeakPolarHBondContact O-CB 3.3Å; A356-K360 PolarHBondContact O-N 3.01Å |
| 357 | V | 90.1 | Very high | 90 | Very high | 69 Ų | 69 | 51.1 Ų | 51.1 | 42% | 0.418 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 178.9 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | N354 L355 K360 R361 | N354-V357 PolarHBondContact O-N 3.35Å; L355-V357 VanDerWaalsContact C-N 3.27Å; L355-V357 PolarHBondContact O-N 2.94Å; V357-K360 PolarHBondContact O-N 2.88Å; V357-R361 WeakPolarHBondContact O-CB 3.34Å; V357-R361 PolarHBondContact O-N 2.63Å |
| 358 | N | 88.3 | Confident | 89.5 | Confident | 65 Ų | 65 | 50.5 Ų | 50.5 | 35% | 0.348 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -70.6 | -39.2 | -179.3 | -71.4 | -23.1 | 0 | 0 | 0 | 112.1 | N354 L355 R361 S362 | N354-N358 VanDerWaalsContact O-CB 3.28Å; N354-N358 WeakPolarHBondContact O-CB 3.22Å; N354-N358 PolarHBondContact O-N 2.9Å; N354-N358 PolarHBondContact O-ND2 3.42Å; N354-N358 VanDerWaalsContact O-ND2 3.16Å; L355-N358 PolarHBondContact O-N 3.18Å; N358-R361 PolarHBondContact O-N 3.4Å; N358-R361 PolarHBondContact OD1-NH1 3.23Å; N358-S362 PolarHBondContact O-N 3.12Å; N358-S362 VanDerWaalsContact O-N 3.09Å; N358-S362 PolarHBondContact O-OG 3Å |
| 359 | V | 89.3 | Confident | 89 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.3 | -52.3 | 172.5 | 171.3 | 0 | 0 | 0 | 0 | 109.7 | L226 F229 L355 R361 S362 I363 F610 I613 L615 | L226-V359 HydrophobicContact CD1-CG1 4.31Å; L226-V359 HydrophobicContact CD2-CB 4.26Å; L226-V359 HydrophobicContact CD2-CG1 3.38Å; L226-V359 HydrophobicContact CG-CG1 4.47Å; F229-V359 HydrophobicContact CE1-CG2 4.13Å; L355-V359 HydrophobicContact CD1-CG2 3.97Å; L355-V359 WeakPolarHBondContact O-CB 3.33Å; L355-V359 VanDerWaalsContact O-CG2 3.29Å; L355-V359 WeakPolarHBondContact O-CG2 3.16Å; L355-V359 PolarHBondContact O-N 3.13Å; V359-R361 VanDerWaalsContact C-N 3.3Å; V359-R361 PolarHBondContact O-N 2.96Å; V359-S362 WeakPolarHBondContact O-CB 3.4Å; V359-S362 PolarHBondContact O-N 3.01Å; V359-I363 HydrophobicContact CG1-CD1 4.49Å; V359-I363 WeakPolarHBondContact O-CG1 3.48Å; V359-I363 PolarHBondContact O-N 2.63Å; V359-F610 HydrophobicContact CG1-CD2 4.11Å; V359-F610 HydrophobicContact CG1-CE2 3.63Å; V359-I613 HydrophobicContact CB-CD1 4.39Å; V359-I613 HydrophobicContact CG1-CD1 3.7Å; V359-I613 HydrophobicContact CG2-CD1 4.47Å; V359-L615 HydrophobicContact CG2-CD2 3.73Å |
| 360 | K | 90.4 | Very high | 88.3 | Confident | 79 Ų | 79 | 55.1 Ų | 55.1 | 34% | 0.343 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -52.3 | -48.9 | 177.8 | -174.6 | 175.1 | 178 | 169.1 | 0 | 111.6 | D223 L226 A356 V357 S362 I363 S364 | D223-K360 VanDerWaalsContact OD1-CD 3.23Å; D223-K360 WeakPolarHBondContact OD1-CD 3.45Å; D223-K360 WeakPolarHBondContact OD1-CE 3.48Å; D223-K360 IonicContact OD1-NZ 2.83Å; D223-K360 PolarHBondContact OD1-NZ 2.87Å; D223-K360 IonicContact OD2-NZ 2.86Å; D223-K360 PolarHBondContact OD2-NZ 2.94Å; L226-K360 HydrophobicContact CD1-CB 3.51Å; L226-K360 HydrophobicContact CD1-CG 4.1Å; A356-K360 WeakPolarHBondContact O-CB 3.3Å; A356-K360 PolarHBondContact O-N 3.01Å; V357-K360 PolarHBondContact O-N 2.88Å; K360-S362 VanDerWaalsContact C-N 3.27Å; K360-S362 PolarHBondContact O-N 2.76Å; K360-I363 PolarHBondContact O-N 2.8Å; K360-S364 WeakPolarHBondContact O-CB 3.43Å; K360-S364 PolarHBondContact O-N 2.73Å |
| 361 | R | 89 | Confident | 87.5 | Confident | 157 Ų | 157 | 50.5 Ų | 50.5 | 59% | 0.592 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.9 | -36.5 | 179.5 | -167.9 | -177.1 | -60.4 | 103.2 | -1.6 | 112.4 | V357 N358 V359 I363 | V357-R361 WeakPolarHBondContact O-CB 3.34Å; V357-R361 PolarHBondContact O-N 2.63Å; N358-R361 PolarHBondContact O-N 3.4Å; N358-R361 PolarHBondContact OD1-NH1 3.23Å; V359-R361 VanDerWaalsContact C-N 3.3Å; V359-R361 PolarHBondContact O-N 2.96Å; R361-I363 VanDerWaalsContact C-N 3.35Å |
| 362 | S | 87.4 | Confident | 86.8 | Confident | 73 Ų | 73 | 52.8 Ų | 52.8 | 51% | 0.51 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -72.3 | -28.2 | -178.1 | -56.4 | 0 | 0 | 0 | 0 | 113.1 | N358 V359 K360 | N358-S362 PolarHBondContact O-N 3.12Å; N358-S362 VanDerWaalsContact O-N 3.09Å; N358-S362 PolarHBondContact O-OG 3Å; V359-S362 WeakPolarHBondContact O-CB 3.4Å; V359-S362 PolarHBondContact O-N 3.01Å; K360-S362 VanDerWaalsContact C-N 3.27Å; K360-S362 PolarHBondContact O-N 2.76Å |
| 363 | I | 87.9 | Confident | 86 | Confident | 12 Ų | 12 | 57 Ų | 57 | 6% | 0.062 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -107.2 | -1.1 | -179.1 | 64.5 | 175.2 | 0 | 0 | 0 | 113.8 | V359 K360 R361 D365 D366 L367 F610 I613 | V359-I363 HydrophobicContact CG1-CD1 4.49Å; V359-I363 WeakPolarHBondContact O-CG1 3.48Å; V359-I363 PolarHBondContact O-N 2.63Å; K360-I363 PolarHBondContact O-N 2.8Å; R361-I363 VanDerWaalsContact C-N 3.35Å; I363-D365 VanDerWaalsContact C-N 3.32Å; I363-D365 PolarHBondContact O-N 2.73Å; I363-D366 WeakPolarHBondContact O-CB 3.4Å; I363-D366 PolarHBondContact O-N 2.9Å; I363-D366 VanDerWaalsContact O-N 3.1Å; I363-L367 HydrophobicContact CB-CD1 4.46Å; I363-L367 HydrophobicContact CD1-CD1 3.83Å; I363-L367 HydrophobicContact CD1-CG 4.38Å; I363-L367 HydrophobicContact CG1-CD1 3.7Å; I363-L367 HydrophobicContact CG1-CG 4.28Å; I363-L367 WeakPolarHBondContact O-CG 3.48Å; I363-L367 PolarHBondContact O-N 3.37Å; I363-F610 HydrophobicContact CD1-CD2 4.41Å; I363-I613 HydrophobicContact CG2-CD1 3.52Å; I363-I613 HydrophobicContact CG2-CG1 4.06Å |
| 364 | S | 89.1 | Confident | 85.1 | Confident | 38 Ų | 38 | 52.5 Ų | 52.5 | 27% | 0.266 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56 | -46.9 | -174.9 | -167.4 | 0 | 0 | 0 | 0 | 112 | K360 D366 L367 D368 | K360-S364 WeakPolarHBondContact O-CB 3.43Å; K360-S364 PolarHBondContact O-N 2.73Å; S364-D366 VanDerWaalsContact C-N 3.32Å; S364-D366 PolarHBondContact O-N 2.98Å; S364-L367 WeakPolarHBondContact O-CB 3.21Å; S364-L367 PolarHBondContact O-N 2.89Å; S364-D368 PolarHBondContact O-N 3Å |
| 365 | D | 88.3 | Confident | 84 | Confident | 108 Ų | 108 | 49.5 Ų | 49.5 | 58% | 0.578 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -68.2 | -33.7 | -179.7 | -64 | -9.3 | 0 | 0 | 0 | 112 | I363 R369 | I363-D365 VanDerWaalsContact C-N 3.32Å; I363-D365 PolarHBondContact O-N 2.73Å; D365-R369 WeakPolarHBondContact O-CB 3.29Å; D365-R369 WeakPolarHBondContact O-CG 3.25Å; D365-R369 PolarHBondContact O-N 3.14Å |
| 366 | D | 86.3 | Confident | 83 | Confident | 44 Ų | 44 | 55.4 Ų | 55.4 | 24% | 0.235 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.8 | -38.3 | 175 | -79 | -40.3 | 0 | 0 | 0 | 111.7 | I363 S364 R369 A370 S609 | I363-D366 WeakPolarHBondContact O-CB 3.4Å; I363-D366 PolarHBondContact O-N 2.9Å; I363-D366 VanDerWaalsContact O-N 3.1Å; S364-D366 VanDerWaalsContact C-N 3.32Å; S364-D366 PolarHBondContact O-N 2.98Å; D366-R369 PolarHBondContact O-N 2.88Å; D366-R369 IonicContact OD1-CZ 2.68Å; D366-R369 IonicContact OD1-NE 3.36Å; D366-R369 IonicContact OD1-NH2 3.43Å; D366-R369 PolarHBondContact OD1-NH2 3.33Å; D366-A370 WeakPolarHBondContact O-CB 3.49Å; D366-A370 PolarHBondContact O-N 3.49Å; D366-S609 PolarHBondContact OD1-OG 3.47Å; D366-S609 WeakPolarHBondContact OD2-CB 3.45Å; D366-S609 PolarHBondContact OD2-OG 3.49Å |
| 367 | L | 85.7 | Confident | 81.9 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 173.9 | -73.2 | 164.9 | 0 | 0 | 0 | 111.4 | F218 M219 I222 I363 S364 A370 W371 L606 | F218-L367 HydrophobicContact CE1-CD2 3.8Å; F218-L367 HydrophobicContact CZ-CD2 3.9Å; M219-L367 HydrophobicContact CE-CB 4.22Å; M219-L367 HydrophobicContact SD-CB 4.4Å; I222-L367 HydrophobicContact CD1-CD2 3.7Å; I222-L367 HydrophobicContact CG1-CD1 4.41Å; I222-L367 HydrophobicContact CG1-CD2 3.81Å; I222-L367 HydrophobicContact CG2-CD1 3.78Å; I363-L367 HydrophobicContact CB-CD1 4.46Å; I363-L367 HydrophobicContact CD1-CD1 3.83Å; I363-L367 HydrophobicContact CD1-CG 4.38Å; I363-L367 HydrophobicContact CG1-CD1 3.7Å; I363-L367 HydrophobicContact CG1-CG 4.28Å; I363-L367 WeakPolarHBondContact O-CG 3.48Å; I363-L367 PolarHBondContact O-N 3.37Å; S364-L367 WeakPolarHBondContact O-CB 3.21Å; S364-L367 PolarHBondContact O-N 2.89Å; L367-A370 PolarHBondContact O-N 2.68Å; L367-W371 WeakPolarHBondContact O-CB 3.44Å; L367-W371 PolarHBondContact O-N 3.3Å; L367-L606 HydrophobicContact CD2-CD1 4.31Å; L367-L606 HydrophobicContact CD2-CD2 3.63Å; L367-L606 HydrophobicContact CG-CD2 4.17Å |
| 368 | D | 84.7 | Confident | 80.7 | Confident | 47 Ų | 47 | 56.4 Ų | 56.4 | 25% | 0.251 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 176.6 | -83.6 | -42.7 | 0 | 0 | 0 | 111.6 | K215 M219 S364 W371 N372 | K215-D368 VanDerWaalsContact CE-OD1 3.27Å; K215-D368 WeakPolarHBondContact CE-OD1 3.4Å; K215-D368 IonicContact NZ-OD1 3.38Å; K215-D368 PolarHBondContact NZ-OD1 3.31Å; M219-D368 WeakPolarHBondContact CE-OD1 3.46Å; S364-D368 PolarHBondContact O-N 3Å; D368-W371 PolarHBondContact O-N 2.92Å; D368-N372 VanDerWaalsContact O-CB 3.29Å; D368-N372 WeakPolarHBondContact O-CB 3.34Å; D368-N372 PolarHBondContact O-N 3.44Å; D368-N372 PolarHBondContact O-ND2 3Å; D368-N372 VanDerWaalsContact O-ND2 3.16Å |
| 369 | R | 82.4 | Confident | 79.6 | Confident | 127 Ų | 127 | 60.7 Ų | 60.7 | 48% | 0.479 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.3 | -50.4 | 172.4 | -80.4 | -169.4 | -66.4 | -88 | 9.2 | 111.9 | D365 D366 W371 N372 D373 | D365-R369 WeakPolarHBondContact O-CB 3.29Å; D365-R369 WeakPolarHBondContact O-CG 3.25Å; D365-R369 PolarHBondContact O-N 3.14Å; D366-R369 PolarHBondContact O-N 2.88Å; D366-R369 IonicContact OD1-CZ 2.68Å; D366-R369 IonicContact OD1-NE 3.36Å; D366-R369 IonicContact OD1-NH2 3.43Å; D366-R369 PolarHBondContact OD1-NH2 3.33Å; R369-W371 VanDerWaalsContact C-N 3.26Å; R369-W371 PolarHBondContact O-N 2.87Å; R369-N372 PolarHBondContact O-N 3.26Å; R369-N372 VanDerWaalsContact O-N 3.16Å; R369-D373 VanDerWaalsContact O-CB 3.32Å; R369-D373 WeakPolarHBondContact O-CB 3.2Å; R369-D373 VanDerWaalsContact O-CG 3.25Å; R369-D373 PolarHBondContact O-N 3.01Å |
| 370 | A | 79.1 | Confident | 78.4 | Confident | 9 Ų | 9 | 61.5 Ų | 61.5 | 7% | 0.074 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.3 | -42 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D366 L367 L374 I602 L606 | D366-A370 WeakPolarHBondContact O-CB 3.49Å; D366-A370 PolarHBondContact O-N 3.49Å; L367-A370 PolarHBondContact O-N 2.68Å; A370-L374 PolarHBondContact O-N 3.13Å; A370-I602 HydrophobicContact CB-CG2 3.8Å; A370-L606 HydrophobicContact CB-CD1 4.1Å; A370-L606 HydrophobicContact CB-CD2 3.67Å; A370-L606 HydrophobicContact CB-CG 3.89Å |
| 371 | W | 77.4 | Confident | 77.3 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 4% | 0.038 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.6 | -47.8 | 175.8 | -177 | -91.8 | 0 | 0 | 0 | 112.2 | L211 Q214 K215 F218 L367 D368 R369 D373 L374 A375 A748 | L211-W371 HydrophobicContact CB-CZ2 3.88Å; Q214-W371 HydrophobicContact CB-CH2 3.67Å; Q214-W371 HydrophobicContact CB-CZ2 4.15Å; K215-W371 HydrophobicContact CB-CD2 4.08Å; K215-W371 VanDerWaalsContact CB-CE2 3.43Å; K215-W371 HydrophobicContact CB-CH2 4.26Å; K215-W371 HydrophobicContact CB-CZ2 3.52Å; K215-W371 HydrophobicContact CD-CG 4.14Å; K215-W371 HydrophobicContact CG-CD2 3.88Å; K215-W371 HydrophobicContact CG-CG 3.96Å; K215-W371 HydrophobicContact CG-CZ2 4.26Å; K215-W371 VanDerWaalsContact N-CH2 3.32Å; F218-W371 HydrophobicContact CB-CE3 3.9Å; F218-W371 HydrophobicContact CB-CH2 4.42Å; F218-W371 HydrophobicContact CB-CZ3 3.58Å; F218-W371 AromaticContact CD1-CE3 3.81Å; F218-W371 HydrophobicContact CD1-CE3 3.81Å; F218-W371 HydrophobicContact CD1-CZ3 4.37Å; F218-W371 HydrophobicContact CD2-CE3 4.18Å; F218-W371 HydrophobicContact CD2-CZ3 4.17Å; F218-W371 HydrophobicContact CE1-CE3 4.38Å; F218-W371 AromaticContact CG-CE3 3.7Å; F218-W371 HydrophobicContact CG-CE3 3.7Å; F218-W371 AromaticContact CG-CZ3 3.8Å; F218-W371 HydrophobicContact CG-CZ3 3.8Å; L367-W371 WeakPolarHBondContact O-CB 3.44Å; L367-W371 PolarHBondContact O-N 3.3Å; D368-W371 PolarHBondContact O-N 2.92Å; R369-W371 VanDerWaalsContact C-N 3.26Å; R369-W371 PolarHBondContact O-N 2.87Å; W371-D373 VanDerWaalsContact C-N 3.31Å; W371-D373 PolarHBondContact O-N 3.27Å; W371-L374 PolarHBondContact O-N 3.38Å; W371-L374 VanDerWaalsContact O-N 3.13Å; W371-A375 WeakPolarHBondContact O-CB 3.31Å; W371-A375 PolarHBondContact O-N 2.72Å; W371-A748 HydrophobicContact CH2-CB 3.88Å; W371-A748 HydrophobicContact CZ3-CB 4.31Å |
| 372 | N | 77.2 | Confident | 76.4 | Confident | 63 Ų | 63 | 58.9 Ų | 58.9 | 34% | 0.337 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 179.4 | -69 | -20.8 | 0 | 0 | 0 | 111.1 | D368 R369 L374 A375 Q376 | D368-N372 VanDerWaalsContact O-CB 3.29Å; D368-N372 WeakPolarHBondContact O-CB 3.34Å; D368-N372 PolarHBondContact O-N 3.44Å; D368-N372 PolarHBondContact O-ND2 3Å; D368-N372 VanDerWaalsContact O-ND2 3.16Å; R369-N372 PolarHBondContact O-N 3.26Å; R369-N372 VanDerWaalsContact O-N 3.16Å; N372-L374 VanDerWaalsContact C-N 3.35Å; N372-A375 PolarHBondContact O-N 2.96Å; N372-Q376 WeakPolarHBondContact O-CA 3.49Å; N372-Q376 WeakPolarHBondContact O-CB 3.44Å; N372-Q376 PolarHBondContact O-N 3.28Å |
| 373 | D | 73.9 | Confident | 75.5 | Confident | 97 Ų | 97 | 59 Ų | 59 | 52% | 0.519 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 171.2 | -73.5 | -15.1 | 0 | 0 | 0 | 109.7 | R369 W371 S377 | R369-D373 VanDerWaalsContact O-CB 3.32Å; R369-D373 WeakPolarHBondContact O-CB 3.2Å; R369-D373 VanDerWaalsContact O-CG 3.25Å; R369-D373 PolarHBondContact O-N 3.01Å; W371-D373 VanDerWaalsContact C-N 3.31Å; W371-D373 PolarHBondContact O-N 3.27Å; D373-S377 VanDerWaalsContact O-CA 3.31Å; D373-S377 WeakPolarHBondContact O-CA 3.49Å; D373-S377 WeakPolarHBondContact O-CB 3.38Å; D373-S377 PolarHBondContact O-N 3.27Å |
| 374 | L | 71.3 | Confident | 74.4 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.8 | -52.2 | 175.7 | -171 | 61.8 | 0 | 0 | 0 | 112.8 | A370 W371 N372 T380 I602 L745 A748 V749 | A370-L374 PolarHBondContact O-N 3.13Å; W371-L374 PolarHBondContact O-N 3.38Å; W371-L374 VanDerWaalsContact O-N 3.13Å; N372-L374 VanDerWaalsContact C-N 3.35Å; L374-T380 HydrophobicContact CD1-CG2 4.29Å; L374-I602 HydrophobicContact CB-CD1 3.78Å; L374-I602 HydrophobicContact CD1-CD1 3.68Å; L374-I602 HydrophobicContact CG-CD1 4.26Å; L374-L745 HydrophobicContact CD2-CB 3.92Å; L374-L745 HydrophobicContact CD2-CD2 3.36Å; L374-L745 HydrophobicContact CD2-CG 4.21Å; L374-A748 HydrophobicContact CD2-CB 4.07Å; L374-V749 HydrophobicContact CD1-CG2 3.56Å; L374-V749 HydrophobicContact CD2-CG2 4.09Å; L374-V749 HydrophobicContact CG-CG2 4.02Å |
| 375 | A | 67.2 | Low | 73.6 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 10% | 0.099 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -72.6 | -30.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L211 W371 N372 R381 | L211-A375 HydrophobicContact CD1-CB 4.11Å; W371-A375 WeakPolarHBondContact O-CB 3.31Å; W371-A375 PolarHBondContact O-N 2.72Å; N372-A375 PolarHBondContact O-N 2.96Å; A375-R381 PolarHBondContact O-NH2 2.96Å |
| 376 | Q | 68.1 | Low | 72.8 | Confident | 127 Ų | 127 | 53.6 Ų | 53.6 | 59% | 0.593 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -116.2 | -9.3 | -172.8 | -56.3 | -178.6 | -7.6 | 0 | 0 | 114.3 | N372 P378 R381 | N372-Q376 WeakPolarHBondContact O-CA 3.49Å; N372-Q376 WeakPolarHBondContact O-CB 3.44Å; N372-Q376 PolarHBondContact O-N 3.28Å; Q376-P378 VanDerWaalsContact O-CD 3.23Å; Q376-P378 WeakPolarHBondContact O-CD 3.44Å; Q376-R381 PolarHBondContact O-NH1 2.89Å |
| 377 | S | 66.7 | Low | 71.9 | Confident | 23 Ų | 23 | 52.5 Ų | 52.5 | 16% | 0.161 | 26% | 0.26 | C | S | . | . | trans | -60.9 | 120.3 | -177.1 | 168.8 | 0 | 0 | 0 | 0 | 112.3 | D373 K379 T380 R381 | D373-S377 VanDerWaalsContact O-CA 3.31Å; D373-S377 WeakPolarHBondContact O-CA 3.49Å; D373-S377 WeakPolarHBondContact O-CB 3.38Å; D373-S377 PolarHBondContact O-N 3.27Å; S377-K379 PolarHBondContact O-N 3.43Å; S377-K379 WeakPolarHBondContact OG-CB 3.45Å; S377-K379 PolarHBondContact OG-N 3.19Å; S377-T380 WeakPolarHBondContact CB-OG1 3.32Å; S377-T380 PolarHBondContact O-N 3.07Å; S377-T380 PolarHBondContact OG-N 3.45Å; S377-T380 VanDerWaalsContact OG-N 3.12Å; S377-T380 PolarHBondContact OG-OG1 2.9Å; S377-R381 PolarHBondContact O-N 3.21Å | ||
| 378 | P | 65.6 | Low | 71.2 | Confident | 79 Ų | 79 | 52.7 Ų | 52.7 | 51% | 0.513 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.4 | -36.3 | 167.2 | -21.9 | 33.8 | 0 | 0 | 0 | 111.8 | Q376 T380 R381 E382 | Q376-P378 VanDerWaalsContact O-CD 3.23Å; Q376-P378 WeakPolarHBondContact O-CD 3.44Å; P378-T380 PolarHBondContact O-N 3.12Å; P378-R381 WeakPolarHBondContact O-CB 3.33Å; P378-R381 PolarHBondContact O-N 3.39Å; P378-E382 WeakPolarHBondContact O-CB 2.98Å; P378-E382 WeakPolarHBondContact O-CG 3.39Å; P378-E382 PolarHBondContact O-N 2.86Å |
| 379 | K | 64.7 | Low | 70.7 | Confident | 156 Ų | 156 | 53.8 Ų | 53.8 | 68% | 0.678 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -65.2 | -39.1 | -177.4 | -62.5 | -178.2 | 180 | 177.8 | 0 | 112.7 | S377 R381 E382 K383 | S377-K379 PolarHBondContact O-N 3.43Å; S377-K379 WeakPolarHBondContact OG-CB 3.45Å; S377-K379 PolarHBondContact OG-N 3.19Å; K379-R381 VanDerWaalsContact C-N 3.33Å; K379-E382 PolarHBondContact O-N 3Å; K379-K383 WeakPolarHBondContact O-CB 2.95Å; K379-K383 WeakPolarHBondContact O-CG 3.4Å; K379-K383 PolarHBondContact O-N 3.07Å |
| 380 | T | 64.9 | Low | 70.1 | Confident | 17 Ų | 17 | 53.8 Ų | 53.8 | 10% | 0.104 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.8 | -41.5 | 177.2 | -51.5 | 0 | 0 | 0 | 0 | 109.8 | L374 S377 P378 L384 L595 A598 | L374-T380 HydrophobicContact CD1-CG2 4.29Å; S377-T380 WeakPolarHBondContact CB-OG1 3.32Å; S377-T380 PolarHBondContact O-N 3.07Å; S377-T380 PolarHBondContact OG-N 3.45Å; S377-T380 VanDerWaalsContact OG-N 3.12Å; S377-T380 PolarHBondContact OG-OG1 2.9Å; P378-T380 PolarHBondContact O-N 3.12Å; T380-L384 VanDerWaalsContact O-CB 3.24Å; T380-L384 WeakPolarHBondContact O-CB 3.41Å; T380-L384 PolarHBondContact O-N 3.26Å; T380-L595 HydrophobicContact CG2-CD1 4.07Å; T380-A598 HydrophobicContact CG2-CB 4.26Å |
| 381 | R | 67.6 | Low | 69.7 | Low | 51 Ų | 51 | 56.2 Ų | 56.2 | 19% | 0.192 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 175.2 | -64.3 | 180 | -174.6 | 123.2 | 0.5 | 112.2 | A375 Q376 S377 P378 K379 L384 A385 | A375-R381 PolarHBondContact O-NH2 2.96Å; Q376-R381 PolarHBondContact O-NH1 2.89Å; S377-R381 PolarHBondContact O-N 3.21Å; P378-R381 WeakPolarHBondContact O-CB 3.33Å; P378-R381 PolarHBondContact O-N 3.39Å; K379-R381 VanDerWaalsContact C-N 3.33Å; R381-L384 PolarHBondContact O-N 2.62Å; R381-A385 VanDerWaalsContact O-CB 3.23Å; R381-A385 WeakPolarHBondContact O-CB 3.26Å; R381-A385 PolarHBondContact O-N 3.4Å |
| 382 | E | 68.8 | Low | 69.5 | Low | 130 Ų | 130 | 57.2 Ų | 57.2 | 61% | 0.607 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63 | -47.9 | 177.1 | -76.8 | 170.7 | -175.9 | 0 | 0 | 111.8 | P378 K379 L384 A385 S386 | P378-E382 WeakPolarHBondContact O-CB 2.98Å; P378-E382 WeakPolarHBondContact O-CG 3.39Å; P378-E382 PolarHBondContact O-N 2.86Å; K379-E382 PolarHBondContact O-N 3Å; E382-L384 PolarHBondContact O-N 3.02Å; E382-A385 PolarHBondContact O-N 3.29Å; E382-S386 WeakPolarHBondContact O-CB 3.36Å; E382-S386 PolarHBondContact O-N 3.13Å |
| 383 | K | 68.2 | Low | 69.5 | Low | 76 Ų | 76 | 58.3 Ų | 58.3 | 33% | 0.33 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.9 | -29.8 | 175.5 | -79.6 | -173.8 | 176.1 | -165.1 | 0 | 112.6 | K379 S386 V594 E597 | K379-K383 WeakPolarHBondContact O-CB 2.95Å; K379-K383 WeakPolarHBondContact O-CG 3.4Å; K379-K383 PolarHBondContact O-N 3.07Å; K383-S386 PolarHBondContact O-OG 3.27Å; K383-V594 WeakPolarHBondContact O-CG1 3.25Å; K383-E597 IonicContact NZ-OE1 3.19Å; K383-E597 PolarHBondContact NZ-OE1 2.66Å; K383-E597 IonicContact NZ-OE2 2.81Å; K383-E597 PolarHBondContact NZ-OE2 2.79Å |
| 384 | L | 66 | Low | 69.4 | Low | 9 Ų | 9 | 58.7 Ų | 58.7 | 5% | 0.047 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -84.9 | -38.4 | 179.2 | -166.1 | 57.9 | 0 | 0 | 0 | 111.9 | T380 R381 E382 S386 V387 V591 V749 W753 | T380-L384 VanDerWaalsContact O-CB 3.24Å; T380-L384 WeakPolarHBondContact O-CB 3.41Å; T380-L384 PolarHBondContact O-N 3.26Å; R381-L384 PolarHBondContact O-N 2.62Å; E382-L384 PolarHBondContact O-N 3.02Å; L384-S386 VanDerWaalsContact C-N 3.3Å; L384-S386 PolarHBondContact O-N 3.28Å; L384-V387 WeakPolarHBondContact O-CB 3.35Å; L384-V387 WeakPolarHBondContact O-CG2 3.26Å; L384-V387 PolarHBondContact O-N 3.05Å; L384-V591 HydrophobicContact CD1-CG1 3.48Å; L384-V591 VanDerWaalsContact CD1-CG1 3.48Å; L384-V749 HydrophobicContact CD2-CG1 3.6Å; L384-W753 HydrophobicContact CB-CZ2 3.76Å; L384-W753 HydrophobicContact CD2-CD2 3.92Å; L384-W753 HydrophobicContact CD2-CG 4.25Å; L384-W753 HydrophobicContact CD2-CZ2 3.61Å; L384-W753 HydrophobicContact CG-CD2 4.29Å; L384-W753 HydrophobicContact CG-CH2 3.89Å; L384-W753 HydrophobicContact CG-CZ2 3.27Å |
| 385 | A | 72.3 | Confident | 69.5 | Low | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63 | -36.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | K204 R381 E382 V387 F388 E389 | K204-A385 HydrophobicContact CG-CB 3.66Å; R381-A385 VanDerWaalsContact O-CB 3.23Å; R381-A385 WeakPolarHBondContact O-CB 3.26Å; R381-A385 PolarHBondContact O-N 3.4Å; E382-A385 PolarHBondContact O-N 3.29Å; A385-V387 PolarHBondContact O-N 3.32Å; A385-F388 PolarHBondContact O-N 3.05Å; A385-E389 WeakPolarHBondContact O-CG 3.48Å; A385-E389 PolarHBondContact O-N 3.32Å |
| 386 | S | 72 | Confident | 70.2 | Confident | 34 Ų | 34 | 60.3 Ų | 60.3 | 24% | 0.238 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.8 | -26.1 | 177.8 | 71.9 | 0 | 0 | 0 | 0 | 112.9 | E382 K383 L384 E389 H390 | E382-S386 WeakPolarHBondContact O-CB 3.36Å; E382-S386 PolarHBondContact O-N 3.13Å; K383-S386 PolarHBondContact O-OG 3.27Å; L384-S386 VanDerWaalsContact C-N 3.3Å; L384-S386 PolarHBondContact O-N 3.28Å; S386-E389 PolarHBondContact O-N 2.65Å; S386-H390 WeakPolarHBondContact O-CB 3.45Å; S386-H390 PolarHBondContact O-CD2 3.27Å; S386-H390 PolarHBondContact O-N 2.86Å |
| 387 | V | 66.9 | Low | 70.6 | Confident | 20 Ų | 20 | 58 Ų | 58 | 12% | 0.121 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 172.7 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | L384 A385 E389 H390 I391 F590 V594 | L384-V387 WeakPolarHBondContact O-CB 3.35Å; L384-V387 WeakPolarHBondContact O-CG2 3.26Å; L384-V387 PolarHBondContact O-N 3.05Å; A385-V387 PolarHBondContact O-N 3.32Å; V387-E389 VanDerWaalsContact C-N 3.34Å; V387-H390 PolarHBondContact O-N 3.15Å; V387-I391 HydrophobicContact CG1-CD1 4.48Å; V387-I391 WeakPolarHBondContact O-CG1 3.49Å; V387-I391 PolarHBondContact O-N 3.04Å; V387-F590 HydrophobicContact CG1-CE1 3.59Å; V387-F590 HydrophobicContact CG1-CZ 3.49Å; V387-F590 VanDerWaalsContact CG1-CZ 3.49Å; V387-V594 HydrophobicContact CG2-CB 3.94Å; V387-V594 HydrophobicContact CG2-CG1 3.62Å; V387-V594 HydrophobicContact CG2-CG2 3.63Å |
| 388 | F | 69.4 | Low | 71 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 4% | 0.039 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71.2 | -32.4 | 176.7 | -81.9 | -106 | 0 | 0 | 0 | 111.6 | V200 A385 I391 M392 F581 W753 | V200-F388 HydrophobicContact CG2-CB 3.55Å; A385-F388 PolarHBondContact O-N 3.05Å; F388-I391 PolarHBondContact O-N 3.21Å; F388-M392 WeakPolarHBondContact O-CA 3.21Å; F388-M392 WeakPolarHBondContact O-CB 3.36Å; F388-M392 PolarHBondContact O-N 2.89Å; F388-F581 HydrophobicContact CD1-CE1 4.46Å; F388-F581 AromaticContact CE1-CD1 3.61Å; F388-F581 HydrophobicContact CE1-CD1 3.61Å; F388-F581 AromaticContact CE1-CE1 3.19Å; F388-F581 HydrophobicContact CE1-CE1 3.19Å; F388-F581 AromaticContact CE1-CZ 3.86Å; F388-F581 HydrophobicContact CE1-CZ 3.86Å; F388-F581 HydrophobicContact CE2-CE1 4.46Å; F388-F581 AromaticContact CZ-CD1 3.49Å; F388-F581 HydrophobicContact CZ-CD1 3.49Å; F388-F581 VanDerWaalsContact CZ-CD1 3.49Å; F388-F581 AromaticContact CZ-CE1 3.21Å; F388-F581 HydrophobicContact CZ-CE1 3.21Å; F388-F581 HydrophobicContact CZ-CZ 4.26Å; F388-W753 HydrophobicContact CD2-CE3 4.43Å; F388-W753 AromaticContact CD2-CH2 3.49Å; F388-W753 HydrophobicContact CD2-CH2 3.49Å; F388-W753 VanDerWaalsContact CD2-CH2 3.49Å; F388-W753 AromaticContact CD2-CZ3 3.25Å; F388-W753 HydrophobicContact CD2-CZ3 3.25Å; F388-W753 HydrophobicContact CE1-CZ3 4.39Å; F388-W753 AromaticContact CE2-CE3 3.82Å; F388-W753 HydrophobicContact CE2-CE3 3.82Å; F388-W753 AromaticContact CE2-CH2 3.71Å; F388-W753 HydrophobicContact CE2-CH2 3.71Å; F388-W753 AromaticContact CE2-CZ3 2.99Å; F388-W753 HydrophobicContact CE2-CZ3 2.99Å; F388-W753 HydrophobicContact CG-CH2 4.32Å; F388-W753 HydrophobicContact CG-CZ3 4.11Å; F388-W753 HydrophobicContact CZ-CE3 4.18Å; F388-W753 AromaticContact CZ-CZ3 3.58Å; F388-W753 HydrophobicContact CZ-CZ3 3.58Å |
| 389 | E | 74.9 | Confident | 71.7 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 33% | 0.327 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 171.8 | -67.7 | 179 | 153.3 | 0 | 0 | 111.4 | V200 K204 A385 S386 V387 M392 V393 | V200-E389 HydrophobicContact CG1-CG 3.88Å; K204-E389 WeakPolarHBondContact CE-OE1 3.47Å; K204-E389 IonicContact NZ-OE1 2.81Å; K204-E389 PolarHBondContact NZ-OE1 2.97Å; A385-E389 WeakPolarHBondContact O-CG 3.48Å; A385-E389 PolarHBondContact O-N 3.32Å; S386-E389 PolarHBondContact O-N 2.65Å; V387-E389 VanDerWaalsContact C-N 3.34Å; E389-M392 CarbonylContact O-C 3.56Å; E389-M392 PolarHBondContact O-N 3.46Å; E389-V393 WeakPolarHBondContact O-CB 2.94Å; E389-V393 VanDerWaalsContact O-CG2 3.22Å; E389-V393 WeakPolarHBondContact O-CG2 3.36Å; E389-V393 PolarHBondContact O-N 3.26Å |
| 390 | H | 71 | Confident | 72.4 | Confident | 127 Ų | 127 | 54 Ų | 54 | 59% | 0.588 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.5 | -44.3 | 175.7 | -78.3 | -56.9 | 0 | 0 | 0 | 112.1 | S386 V387 V393 N394 | S386-H390 WeakPolarHBondContact O-CB 3.45Å; S386-H390 PolarHBondContact O-CD2 3.27Å; S386-H390 PolarHBondContact O-N 2.86Å; V387-H390 PolarHBondContact O-N 3.15Å; H390-V393 PolarHBondContact O-N 3.13Å; H390-N394 PolarHBondContact O-N 3.45Å; H390-N394 VanDerWaalsContact O-N 3.14Å |
| 391 | I | 69 | Low | 73 | Confident | 59 Ų | 59 | 57.8 Ų | 57.8 | 30% | 0.303 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 172.8 | -68.3 | 167.4 | 0 | 0 | 0 | 110 | V387 F388 V393 N394 V395 F590 | V387-I391 HydrophobicContact CG1-CD1 4.48Å; V387-I391 WeakPolarHBondContact O-CG1 3.49Å; V387-I391 PolarHBondContact O-N 3.04Å; F388-I391 PolarHBondContact O-N 3.21Å; I391-V393 VanDerWaalsContact C-N 3.31Å; I391-V393 PolarHBondContact O-N 3.44Å; I391-N394 PolarHBondContact O-N 3.47Å; I391-V395 HydrophobicContact CG2-CG2 3.83Å; I391-V395 VanDerWaalsContact O-CB 3.3Å; I391-V395 WeakPolarHBondContact O-CB 3.21Å; I391-V395 VanDerWaalsContact O-CG2 3.22Å; I391-V395 WeakPolarHBondContact O-CG2 3.47Å; I391-V395 PolarHBondContact O-N 2.98Å; I391-F590 HydrophobicContact CD1-CE1 3.74Å; I391-F590 HydrophobicContact CD1-CE2 4.27Å; I391-F590 HydrophobicContact CD1-CZ 3.29Å; I391-F590 HydrophobicContact CG1-CZ 4.34Å |
| 392 | M | 74.5 | Confident | 73.4 | Confident | 32 Ų | 32 | 56.2 Ų | 56.2 | 16% | 0.158 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.7 | -40.5 | -179.7 | 176.4 | -166.7 | -80.7 | 0 | 0 | 111.3 | L196 K197 V200 F388 E389 V395 S396 | L196-M392 HydrophobicContact CB-CE 4.09Å; L196-M392 WeakPolarHBondContact O-CE 3.43Å; K197-M392 HydrophobicContact CB-CE 4.1Å; K197-M392 HydrophobicContact CG-CE 3.68Å; K197-M392 HydrophobicContact CG-SD 4.21Å; K197-M392 VanDerWaalsContact N-CE 3.35Å; V200-M392 HydrophobicContact CB-CE 3.74Å; V200-M392 HydrophobicContact CG1-CE 4.48Å; V200-M392 HydrophobicContact CG2-CE 3.34Å; V200-M392 HydrophobicContact CG2-SD 4.33Å; F388-M392 WeakPolarHBondContact O-CA 3.21Å; F388-M392 WeakPolarHBondContact O-CB 3.36Å; F388-M392 PolarHBondContact O-N 2.89Å; E389-M392 CarbonylContact O-C 3.56Å; E389-M392 PolarHBondContact O-N 3.46Å; M392-V395 PolarHBondContact O-N 3.31Å; M392-S396 WeakPolarHBondContact O-CA 3.36Å; M392-S396 WeakPolarHBondContact O-CB 3.39Å; M392-S396 PolarHBondContact O-N 3.36Å |
| 393 | V | 76.1 | Confident | 73.8 | Confident | 85 Ų | 85 | 52.1 Ų | 52.1 | 52% | 0.515 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 178 | 168.6 | 0 | 0 | 0 | 0 | 110.1 | E389 H390 I391 V395 T397 | E389-V393 WeakPolarHBondContact O-CB 2.94Å; E389-V393 VanDerWaalsContact O-CG2 3.22Å; E389-V393 WeakPolarHBondContact O-CG2 3.36Å; E389-V393 PolarHBondContact O-N 3.26Å; H390-V393 PolarHBondContact O-N 3.13Å; I391-V393 VanDerWaalsContact C-N 3.31Å; I391-V393 PolarHBondContact O-N 3.44Å; V393-V395 PolarHBondContact O-N 2.76Å; V393-T397 WeakPolarHBondContact O-CB 3.47Å; V393-T397 WeakPolarHBondContact O-CG2 3.25Å; V393-T397 PolarHBondContact O-N 2.9Å; V393-T397 PolarHBondContact O-OG1 3.36Å |
| 394 | N | 71.8 | Confident | 74 | Confident | 106 Ų | 106 | 52.2 Ų | 52.2 | 57% | 0.567 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.4 | -40.4 | 177.9 | -70.1 | -12.2 | 0 | 0 | 0 | 112.1 | H390 I391 T397 T398 | H390-N394 PolarHBondContact O-N 3.45Å; H390-N394 VanDerWaalsContact O-N 3.14Å; I391-N394 PolarHBondContact O-N 3.47Å; N394-T397 WeakPolarHBondContact CA-OG1 3.17Å; N394-T397 PolarHBondContact O-OG1 2.83Å; N394-T398 WeakPolarHBondContact O-CB 3.47Å; N394-T398 PolarHBondContact O-N 3.28Å; N394-T398 VanDerWaalsContact O-N 3.15Å; N394-T398 PolarHBondContact O-OG1 3.26Å |
| 395 | V | 74.8 | Confident | 74.2 | Confident | 39 Ų | 39 | 55.3 Ų | 55.3 | 24% | 0.236 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -73.3 | -45.2 | 178.6 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | F192 L196 I391 M392 V393 T397 T398 L399 | F192-V395 HydrophobicContact CD1-CG1 4.36Å; F192-V395 HydrophobicContact CE1-CG1 3.89Å; L196-V395 HydrophobicContact CD1-CB 4.05Å; L196-V395 HydrophobicContact CD1-CG1 3.56Å; I391-V395 HydrophobicContact CG2-CG2 3.83Å; I391-V395 VanDerWaalsContact O-CB 3.3Å; I391-V395 WeakPolarHBondContact O-CB 3.21Å; I391-V395 VanDerWaalsContact O-CG2 3.22Å; I391-V395 WeakPolarHBondContact O-CG2 3.47Å; I391-V395 PolarHBondContact O-N 2.98Å; M392-V395 PolarHBondContact O-N 3.31Å; V393-V395 PolarHBondContact O-N 2.76Å; V395-T397 VanDerWaalsContact C-N 3.33Å; V395-T397 PolarHBondContact O-N 3.43Å; V395-T398 CarbonylContact O-C 3.45Å; V395-T398 WeakPolarHBondContact O-CA 3.39Å; V395-T398 WeakPolarHBondContact O-CB 3.41Å; V395-T398 PolarHBondContact O-N 2.72Å; V395-T398 VanDerWaalsContact O-N 3.08Å; V395-L399 HydrophobicContact CG1-CD1 3.6Å; V395-L399 HydrophobicContact CG1-CG 3.82Å; V395-L399 WeakPolarHBondContact O-CB 3.34Å; V395-L399 WeakPolarHBondContact O-CG 3.46Å; V395-L399 PolarHBondContact O-N 2.8Å |
| 396 | S | 80.6 | Confident | 73.9 | Confident | 16 Ų | 16 | 55.6 Ų | 55.6 | 11% | 0.112 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 177.6 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | M392 L399 K400 | M392-S396 WeakPolarHBondContact O-CA 3.36Å; M392-S396 WeakPolarHBondContact O-CB 3.39Å; M392-S396 PolarHBondContact O-N 3.36Å; S396-L399 PolarHBondContact O-N 3.44Å; S396-K400 WeakPolarHBondContact O-CB 3.07Å; S396-K400 WeakPolarHBondContact O-CG 3.18Å; S396-K400 PolarHBondContact O-N 2.98Å |
| 397 | T | 77.2 | Confident | 73.5 | Confident | 80 Ų | 80 | 55.4 Ų | 55.4 | 49% | 0.491 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 173.2 | 47.3 | 0 | 0 | 0 | 0 | 112 | V393 N394 V395 F401 | V393-T397 WeakPolarHBondContact O-CB 3.47Å; V393-T397 WeakPolarHBondContact O-CG2 3.25Å; V393-T397 PolarHBondContact O-N 2.9Å; V393-T397 PolarHBondContact O-OG1 3.36Å; N394-T397 WeakPolarHBondContact CA-OG1 3.17Å; N394-T397 PolarHBondContact O-OG1 2.83Å; V395-T397 VanDerWaalsContact C-N 3.33Å; V395-T397 PolarHBondContact O-N 3.43Å; T397-F401 WeakPolarHBondContact O-CB 2.79Å; T397-F401 PolarHBondContact O-N 3.02Å |
| 398 | T | 74.7 | Confident | 72.7 | Confident | 60 Ų | 60 | 58.5 Ų | 58.5 | 37% | 0.368 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.3 | -44.9 | 175.7 | -55.9 | 0 | 0 | 0 | 0 | 112 | L10 N394 V395 K400 F401 I402 | L10-T398 HydrophobicContact CD2-CG2 3.72Å; N394-T398 WeakPolarHBondContact O-CB 3.47Å; N394-T398 PolarHBondContact O-N 3.28Å; N394-T398 VanDerWaalsContact O-N 3.15Å; N394-T398 PolarHBondContact O-OG1 3.26Å; V395-T398 CarbonylContact O-C 3.45Å; V395-T398 WeakPolarHBondContact O-CA 3.39Å; V395-T398 WeakPolarHBondContact O-CB 3.41Å; V395-T398 PolarHBondContact O-N 2.72Å; V395-T398 VanDerWaalsContact O-N 3.08Å; T398-K400 VanDerWaalsContact C-N 3.35Å; T398-F401 WeakPolarHBondContact O-CB 3.39Å; T398-F401 PolarHBondContact O-N 2.96Å; T398-I402 HydrophobicContact CG2-CD1 3.95Å; T398-I402 VanDerWaalsContact O-CG1 3.24Å; T398-I402 WeakPolarHBondContact O-CG1 3.4Å; T398-I402 PolarHBondContact O-N 3.32Å |
| 399 | L | 80.7 | Confident | 71.8 | Confident | 14 Ų | 14 | 59.3 Ų | 59.3 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 177 | -68.7 | 174.3 | 0 | 0 | 0 | 110.8 | L189 F192 E193 V395 S396 I402 R403 | L189-L399 HydrophobicContact CD2-CD2 3.33Å; L189-L399 HydrophobicContact CG-CD2 4.48Å; F192-L399 HydrophobicContact CD1-CD1 3.82Å; F192-L399 HydrophobicContact CD1-CD2 4.42Å; E193-L399 HydrophobicContact CB-CD1 4.17Å; V395-L399 HydrophobicContact CG1-CD1 3.6Å; V395-L399 HydrophobicContact CG1-CG 3.82Å; V395-L399 WeakPolarHBondContact O-CB 3.34Å; V395-L399 WeakPolarHBondContact O-CG 3.46Å; V395-L399 PolarHBondContact O-N 2.8Å; S396-L399 PolarHBondContact O-N 3.44Å; L399-I402 PolarHBondContact O-N 2.99Å; L399-R403 WeakPolarHBondContact O-CA 3.46Å; L399-R403 WeakPolarHBondContact O-CB 3.38Å; L399-R403 PolarHBondContact O-N 3.46Å |
| 400 | K | 79.3 | Confident | 70.4 | Confident | 100 Ų | 100 | 59.4 Ų | 59.4 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 172.3 | -78.3 | 175.9 | -176.9 | 176.9 | 0 | 110.8 | S396 T398 I402 R403 D404 | S396-K400 WeakPolarHBondContact O-CB 3.07Å; S396-K400 WeakPolarHBondContact O-CG 3.18Å; S396-K400 PolarHBondContact O-N 2.98Å; T398-K400 VanDerWaalsContact C-N 3.35Å; K400-I402 VanDerWaalsContact C-N 3.34Å; K400-I402 PolarHBondContact O-N 3.49Å; K400-R403 PolarHBondContact O-N 3.01Å; K400-D404 WeakPolarHBondContact O-CA 3.28Å; K400-D404 WeakPolarHBondContact O-CB 3.36Å; K400-D404 PolarHBondContact O-N 3.43Å |
| 401 | F | 78.2 | Confident | 69.2 | Low | 95 Ų | 95 | 58 Ų | 58 | 42% | 0.417 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 174.6 | 176.3 | -95.2 | 0 | 0 | 0 | 112 | V14 T397 T398 R405 | V14-F401 HydrophobicContact CG1-CE1 4.3Å; T397-F401 WeakPolarHBondContact O-CB 2.79Å; T397-F401 PolarHBondContact O-N 3.02Å; T398-F401 WeakPolarHBondContact O-CB 3.39Å; T398-F401 PolarHBondContact O-N 2.96Å; F401-R405 HydrophobicContact CD1-CG 4.48Å; F401-R405 HydrophobicContact CE1-CG 4.17Å; F401-R405 HydrophobicContact CE2-CG 4.44Å; F401-R405 HydrophobicContact CZ-CG 4.16Å; F401-R405 WeakPolarHBondContact O-CB 3.38Å; F401-R405 WeakPolarHBondContact O-CG 3.13Å; F401-R405 PolarHBondContact O-N 3.06Å |
| 402 | I | 74.1 | Confident | 68.3 | Low | 19 Ų | 19 | 64 Ų | 64 | 10% | 0.097 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.1 | -44.9 | 177.1 | -64.2 | 164.4 | 0 | 0 | 0 | 110.3 | L10 V14 L189 T398 L399 K400 R405 I406 | L10-I402 HydrophobicContact CD1-CD1 4.39Å; L10-I402 HydrophobicContact CD2-CD1 3.81Å; L10-I402 HydrophobicContact CG-CD1 3.89Å; V14-I402 HydrophobicContact CG2-CB 4.47Å; V14-I402 HydrophobicContact CG2-CG1 4.09Å; V14-I402 HydrophobicContact CG2-CG2 4.06Å; L189-I402 HydrophobicContact CD1-CB 4.33Å; L189-I402 HydrophobicContact CD1-CG2 3.74Å; L189-I402 HydrophobicContact CD2-CG2 4.32Å; T398-I402 HydrophobicContact CG2-CD1 3.95Å; T398-I402 VanDerWaalsContact O-CG1 3.24Å; T398-I402 WeakPolarHBondContact O-CG1 3.4Å; T398-I402 PolarHBondContact O-N 3.32Å; L399-I402 PolarHBondContact O-N 2.99Å; K400-I402 VanDerWaalsContact C-N 3.34Å; K400-I402 PolarHBondContact O-N 3.49Å; I402-R405 CarbonylContact O-C 3.46Å; I402-R405 WeakPolarHBondContact O-CA 3.35Å; I402-R405 WeakPolarHBondContact O-CB 3.26Å; I402-R405 PolarHBondContact O-N 3.3Å; I402-R405 VanDerWaalsContact O-N 3.1Å; I402-I406 HydrophobicContact CG2-CD1 3.72Å; I402-I406 HydrophobicContact CG2-CG1 4.43Å; I402-I406 VanDerWaalsContact O-CG1 3.24Å; I402-I406 WeakPolarHBondContact O-CG1 3.27Å; I402-I406 PolarHBondContact O-N 2.9Å |
| 403 | R | 77.6 | Confident | 67 | Low | 44 Ų | 44 | 71.1 Ų | 71.1 | 17% | 0.166 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | 177.9 | -178.3 | -176.1 | -61.8 | 145.2 | 5.2 | 110.6 | L189 E193 L399 K400 R405 I406 S407 | L189-R403 HydrophobicContact CD1-CB 4.19Å; L189-R403 PolarHBondContact O-NH2 3.02Å; E193-R403 IonicContact OE2-CZ 2.77Å; E193-R403 VanDerWaalsContact OE2-CZ 3.27Å; E193-R403 IonicContact OE2-NH1 3.17Å; E193-R403 PolarHBondContact OE2-NH1 3.49Å; E193-R403 IonicContact OE2-NH2 3.57Å; E193-R403 PolarHBondContact OE2-NH2 3.26Å; L399-R403 WeakPolarHBondContact O-CA 3.46Å; L399-R403 WeakPolarHBondContact O-CB 3.38Å; L399-R403 PolarHBondContact O-N 3.46Å; K400-R403 PolarHBondContact O-N 3.01Å; R403-R405 PolarHBondContact O-N 3.43Å; R403-I406 CarbonylContact O-C 3.5Å; R403-I406 WeakPolarHBondContact O-CA 3.29Å; R403-I406 WeakPolarHBondContact O-CB 3.49Å; R403-I406 PolarHBondContact O-N 2.87Å; R403-S407 WeakPolarHBondContact O-CA 3.46Å; R403-S407 WeakPolarHBondContact O-CB 3.16Å; R403-S407 PolarHBondContact O-N 3.49Å; R403-S407 PolarHBondContact O-OG 3.38Å; R403-S407 VanDerWaalsContact O-OG 3.06Å |
| 404 | D | 72.1 | Confident | 65.7 | Low | 78 Ų | 78 | 70.7 Ų | 70.7 | 42% | 0.417 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.6 | -32.5 | 174.6 | -68.9 | -10.8 | 0 | 0 | 0 | 110 | K400 S407 L408 | K400-D404 WeakPolarHBondContact O-CA 3.28Å; K400-D404 WeakPolarHBondContact O-CB 3.36Å; K400-D404 PolarHBondContact O-N 3.43Å; D404-S407 VanDerWaalsContact CA-OG 3.29Å; D404-S407 WeakPolarHBondContact CA-OG 3.49Å; D404-S407 CarbonylContact O-C 3.07Å; D404-S407 PolarHBondContact O-N 2.99Å; D404-L408 HydrophobicContact CB-CD1 4.28Å; D404-L408 VanDerWaalsContact O-CA 3.27Å; D404-L408 WeakPolarHBondContact O-CA 3.16Å; D404-L408 WeakPolarHBondContact O-CB 3.32Å; D404-L408 VanDerWaalsContact O-CD1 3.3Å; D404-L408 WeakPolarHBondContact O-CD1 3.35Å; D404-L408 WeakPolarHBondContact O-CG 3.28Å; D404-L408 PolarHBondContact O-N 3.14Å |
| 405 | R | 70 | Confident | 65 | Low | 74 Ų | 74 | 66.6 Ų | 66.6 | 28% | 0.279 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -74.7 | -29 | 171.8 | -70.9 | -77.7 | -76.2 | -100.9 | -2.1 | 113.2 | V14 F401 I402 R403 S407 | V14-R405 HydrophobicContact CG1-CB 3.77Å; V14-R405 HydrophobicContact CG1-CG 3.79Å; V14-R405 PolarHBondContact O-NH2 2.95Å; F401-R405 HydrophobicContact CD1-CG 4.48Å; F401-R405 HydrophobicContact CE1-CG 4.17Å; F401-R405 HydrophobicContact CE2-CG 4.44Å; F401-R405 HydrophobicContact CZ-CG 4.16Å; F401-R405 WeakPolarHBondContact O-CB 3.38Å; F401-R405 WeakPolarHBondContact O-CG 3.13Å; F401-R405 PolarHBondContact O-N 3.06Å; I402-R405 CarbonylContact O-C 3.46Å; I402-R405 WeakPolarHBondContact O-CA 3.35Å; I402-R405 WeakPolarHBondContact O-CB 3.26Å; I402-R405 PolarHBondContact O-N 3.3Å; I402-R405 VanDerWaalsContact O-N 3.1Å; R403-R405 PolarHBondContact O-N 3.43Å; R405-S407 VanDerWaalsContact C-N 3.33Å |
| 406 | I | 67.2 | Low | 64.6 | Low | 6 Ų | 6 | 68.5 Ų | 68.5 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -78 | -22.3 | 171.4 | -65.7 | 164.4 | 0 | 0 | 0 | 111.3 | I18 V20 A185 N186 L189 I402 R403 | I18-I406 HydrophobicContact CD1-CG1 4.15Å; I18-I406 HydrophobicContact CG2-CB 3.97Å; I18-I406 HydrophobicContact CG2-CG1 3.94Å; I18-I406 HydrophobicContact CG2-CG2 3.84Å; I18-I406 CarbonylContact O-C 3.26Å; I18-I406 VanDerWaalsContact O-O 3.04Å; V20-I406 HydrophobicContact CG2-CG2 4.11Å; A185-I406 HydrophobicContact CB-CD1 4.3Å; N186-I406 HydrophobicContact CB-CG2 4.13Å; L189-I406 HydrophobicContact CD1-CD1 3.5Å; I402-I406 HydrophobicContact CG2-CD1 3.72Å; I402-I406 HydrophobicContact CG2-CG1 4.43Å; I402-I406 VanDerWaalsContact O-CG1 3.24Å; I402-I406 WeakPolarHBondContact O-CG1 3.27Å; I402-I406 PolarHBondContact O-N 2.9Å; R403-I406 CarbonylContact O-C 3.5Å; R403-I406 WeakPolarHBondContact O-CA 3.29Å; R403-I406 WeakPolarHBondContact O-CB 3.49Å; R403-I406 PolarHBondContact O-N 2.87Å |
| 407 | S | 62.5 | Low | 64.3 | Low | 30 Ų | 30 | 74.1 Ų | 74.1 | 21% | 0.21 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -113.6 | -19.8 | -170.5 | 83.3 | 0 | 0 | 0 | 0 | 114.5 | R403 D404 R405 E409 I410 | R403-S407 WeakPolarHBondContact O-CA 3.46Å; R403-S407 WeakPolarHBondContact O-CB 3.16Å; R403-S407 PolarHBondContact O-N 3.49Å; R403-S407 PolarHBondContact O-OG 3.38Å; R403-S407 VanDerWaalsContact O-OG 3.06Å; D404-S407 VanDerWaalsContact CA-OG 3.29Å; D404-S407 WeakPolarHBondContact CA-OG 3.49Å; D404-S407 CarbonylContact O-C 3.07Å; D404-S407 PolarHBondContact O-N 2.99Å; R405-S407 VanDerWaalsContact C-N 3.33Å; S407-E409 PolarHBondContact O-N 3.49Å; S407-I410 WeakPolarHBondContact O-CA 3.39Å; S407-I410 WeakPolarHBondContact O-CB 3.43Å; S407-I410 WeakPolarHBondContact O-CG1 3.15Å; S407-I410 PolarHBondContact O-N 3.46Å |
| 408 | L | 51.8 | Low | 64 | Low | 86 Ų | 86 | 71.1 Ų | 71.1 | 45% | 0.45 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -61.2 | -25.5 | 178.6 | -100.3 | 155.5 | 0 | 0 | 0 | 111 | D404 I410 | D404-L408 HydrophobicContact CB-CD1 4.28Å; D404-L408 VanDerWaalsContact O-CA 3.27Å; D404-L408 WeakPolarHBondContact O-CA 3.16Å; D404-L408 WeakPolarHBondContact O-CB 3.32Å; D404-L408 VanDerWaalsContact O-CD1 3.3Å; D404-L408 WeakPolarHBondContact O-CD1 3.35Å; D404-L408 WeakPolarHBondContact O-CG 3.28Å; D404-L408 PolarHBondContact O-N 3.14Å; L408-I410 VanDerWaalsContact C-N 3.33Å |
| 409 | E | 49.2 | Very low | 63.9 | Low | 26 Ų | 26 | 70.5 Ų | 70.5 | 12% | 0.121 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -84.9 | 1.1 | 172.8 | -103.1 | 94.2 | -138.6 | 0 | 0 | 113.5 | I18 A19 S407 I414 N415 | I18-E409 PolarHBondContact N-OE2 3.46Å; I18-E409 WeakPolarHBondContact O-CB 2.94Å; A19-E409 VanDerWaalsContact CA-CB 3.44Å; A19-E409 HydrophobicContact CB-CB 3.53Å; A19-E409 HydrophobicContact CB-CG 4.04Å; S407-E409 PolarHBondContact O-N 3.49Å; E409-I414 HydrophobicContact CG-CG2 3.84Å; E409-N415 WeakPolarHBondContact O-CB 3.22Å |
| 410 | I | 46.9 | Very low | 63.9 | Low | 71 Ų | 71 | 74.4 Ų | 74.4 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -72.3 | -20.1 | 166.6 | -58 | 170.3 | 0 | 0 | 0 | 110.6 | V20 S407 L408 E412 | V20-I410 HydrophobicContact CB-CD1 4.4Å; V20-I410 HydrophobicContact CB-CG1 4.11Å; V20-I410 WeakPolarHBondContact O-CG1 3.31Å; S407-I410 WeakPolarHBondContact O-CA 3.39Å; S407-I410 WeakPolarHBondContact O-CB 3.43Å; S407-I410 WeakPolarHBondContact O-CG1 3.15Å; S407-I410 PolarHBondContact O-N 3.46Å; L408-I410 VanDerWaalsContact C-N 3.33Å; I410-E412 PolarHBondContact O-N 3.35Å |
| 411 | N | 45.5 | Very low | 64 | Low | 99 Ų | 99 | 71.7 Ų | 71.7 | 53% | 0.529 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -65.7 | 122.1 | 175.9 | -73 | -30.2 | 0 | 0 | 0 | 109.9 | E413 I414 N415 | N411-E413 PolarHBondContact O-N 3.3Å; N411-I414 PolarHBondContact O-N 3.18Å; N411-N415 PolarHBondContact O-N 3.24Å |
| 412 | E | 48.8 | Very low | 64.2 | Low | 183 Ų | 183 | 67.5 Ų | 67.5 | 86% | 0.855 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -44.9 | -36.3 | -169.8 | -80.2 | 179.7 | 150.6 | 0 | 0 | 115 | I410 | I410-E412 PolarHBondContact O-N 3.35Å |
| 413 | E | 48.1 | Very low | 64.7 | Low | 183 Ų | 183 | 70 Ų | 70 | 86% | 0.855 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -74.1 | -36.1 | -178.7 | -93.6 | -176.2 | 156.5 | 0 | 0 | 114.6 | N411 | N411-E413 PolarHBondContact O-N 3.3Å |
| 414 | I | 49.5 | Very low | 65.2 | Low | 76 Ų | 76 | 75.7 Ų | 75.7 | 39% | 0.39 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -84 | -29.2 | -178.5 | -53.5 | 179.9 | 0 | 0 | 0 | 110.6 | E409 N411 D416 H417 Y418 | E409-I414 HydrophobicContact CG-CG2 3.84Å; N411-I414 PolarHBondContact O-N 3.18Å; I414-D416 PolarHBondContact O-N 3.17Å; I414-D416 VanDerWaalsContact O-N 3.11Å; I414-H417 PolarHBondContact O-N 3.44Å; I414-Y418 PolarHBondContact O-N 2.89Å |
| 415 | N | 56.2 | Low | 65.9 | Low | 19 Ų | 19 | 75.7 Ų | 75.7 | 10% | 0.102 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -52.4 | -35.5 | 176.7 | -162 | 17.1 | 0 | 0 | 0 | 112.1 | A19 C21 E409 N411 H417 L419 | A19-N415 WeakPolarHBondContact CB-OD1 3.41Å; C21-N415 PolarHBondContact SG-ND2 3.19Å; E409-N415 WeakPolarHBondContact O-CB 3.22Å; N411-N415 PolarHBondContact O-N 3.24Å; N415-H417 PolarHBondContact O-N 2.87Å; N415-L419 WeakPolarHBondContact O-CB 3.16Å; N415-L419 PolarHBondContact O-N 3.49Å |
| 416 | D | 66.4 | Low | 66.9 | Low | 80 Ų | 80 | 73.9 Ų | 73.9 | 43% | 0.428 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.4 | -34.4 | 178.1 | -166.3 | 22.3 | 0 | 0 | 0 | 112.2 | I414 R420 | I414-D416 PolarHBondContact O-N 3.17Å; I414-D416 VanDerWaalsContact O-N 3.11Å; D416-R420 WeakPolarHBondContact O-CB 3.29Å; D416-R420 WeakPolarHBondContact O-CG 3.07Å; D416-R420 PolarHBondContact O-N 3.21Å; D416-R420 VanDerWaalsContact O-N 3.08Å; D416-R420 PolarHBondContact O-NE 2.99Å; D416-R420 IonicContact OD1-CZ 2.72Å; D416-R420 IonicContact OD1-NE 2.97Å; D416-R420 PolarHBondContact OD1-NE 3.49Å; D416-R420 IonicContact OD1-NH2 3.43Å; D416-R420 IonicContact OD2-CZ 3.56Å; D416-R420 IonicContact OD2-NE 3.57Å; D416-R420 PolarHBondContact OD2-NE 3.42Å; D416-R420 IonicContact OD2-NH1 3.81Å; D416-R420 IonicContact OD2-NH2 3.54Å; D416-R420 PolarHBondContact OD2-NH2 3Å |
| 417 | H | 73.8 | Confident | 68 | Low | 134 Ų | 134 | 80.6 Ų | 80.6 | 62% | 0.62 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -72.8 | -45.7 | 178.4 | -168.5 | 68.1 | 0 | 0 | 0 | 112.4 | I414 N415 A421 | I414-H417 PolarHBondContact O-N 3.44Å; N415-H417 PolarHBondContact O-N 2.87Å; H417-A421 WeakPolarHBondContact O-CB 3.24Å; H417-A421 PolarHBondContact O-N 3.29Å |
| 418 | Y | 71.2 | Confident | 69.2 | Low | 17 Ų | 17 | 80.7 Ų | 80.7 | 7% | 0.067 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.3 | -47.9 | 177.7 | 168.7 | -93.7 | 0 | 0 | 0 | 111.5 | D17 A19 L172 F182 I414 R420 A421 V422 | D17-Y418 WeakPolarHBondContact O-CD2 3.22Å; D17-Y418 WeakPolarHBondContact O-CE2 3.3Å; A19-Y418 HydrophobicContact CB-CD1 3.1Å; A19-Y418 HydrophobicContact CB-CE1 3.56Å; A19-Y418 HydrophobicContact CB-CG 3.71Å; L172-Y418 PolarHBondContact O-OH 3.4Å; F182-Y418 WeakPolarHBondContact CE2-OH 3.08Å; I414-Y418 PolarHBondContact O-N 2.89Å; Y418-R420 VanDerWaalsContact C-N 3.28Å; Y418-R420 PolarHBondContact O-N 3.49Å; Y418-A421 CarbonylContact O-C 3.55Å; Y418-A421 WeakPolarHBondContact O-CA 3.37Å; Y418-A421 WeakPolarHBondContact O-CB 3.49Å; Y418-A421 PolarHBondContact O-N 2.83Å; Y418-V422 HydrophobicContact CD1-CG2 4.14Å; Y418-V422 HydrophobicContact CD2-CG2 4.12Å; Y418-V422 HydrophobicContact CE1-CG2 3.67Å; Y418-V422 HydrophobicContact CE2-CG2 3.57Å; Y418-V422 HydrophobicContact CG-CG2 4.41Å; Y418-V422 WeakPolarHBondContact O-CG2 3.46Å; Y418-V422 PolarHBondContact O-N 2.86Å |
| 419 | L | 73.2 | Confident | 71 | Confident | 46 Ų | 46 | 76.9 Ų | 76.9 | 24% | 0.241 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 179.3 | -174.3 | 63.6 | 0 | 0 | 0 | 110.1 | V173 N415 A421 V422 E423 | V173-L419 HydrophobicContact CG1-CD1 4.3Å; V173-L419 HydrophobicContact CG2-CD1 4.33Å; N415-L419 WeakPolarHBondContact O-CB 3.16Å; N415-L419 PolarHBondContact O-N 3.49Å; L419-A421 VanDerWaalsContact C-N 3.34Å; L419-A421 PolarHBondContact O-N 3.49Å; L419-V422 PolarHBondContact O-N 3.17Å; L419-E423 WeakPolarHBondContact O-CB 3.47Å; L419-E423 VanDerWaalsContact O-CG 3.29Å; L419-E423 WeakPolarHBondContact O-CG 3.42Å; L419-E423 PolarHBondContact O-N 3.17Å |
| 420 | R | 81.1 | Confident | 73.1 | Confident | 97 Ų | 97 | 77.7 Ų | 77.7 | 37% | 0.366 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 171.3 | -79.1 | -179.9 | -73.3 | -170.1 | -8.7 | 112.6 | D416 Y418 E423 Y424 | D416-R420 WeakPolarHBondContact O-CB 3.29Å; D416-R420 WeakPolarHBondContact O-CG 3.07Å; D416-R420 PolarHBondContact O-N 3.21Å; D416-R420 VanDerWaalsContact O-N 3.08Å; D416-R420 PolarHBondContact O-NE 2.99Å; D416-R420 IonicContact OD1-CZ 2.72Å; D416-R420 IonicContact OD1-NE 2.97Å; D416-R420 PolarHBondContact OD1-NE 3.49Å; D416-R420 IonicContact OD1-NH2 3.43Å; D416-R420 IonicContact OD2-CZ 3.56Å; D416-R420 IonicContact OD2-NE 3.57Å; D416-R420 PolarHBondContact OD2-NE 3.42Å; D416-R420 IonicContact OD2-NH1 3.81Å; D416-R420 IonicContact OD2-NH2 3.54Å; D416-R420 PolarHBondContact OD2-NH2 3Å; Y418-R420 VanDerWaalsContact C-N 3.28Å; Y418-R420 PolarHBondContact O-N 3.49Å; R420-E423 PolarHBondContact O-N 2.68Å; R420-Y424 HydrophobicContact CB-CD2 4.42Å; R420-Y424 HydrophobicContact CB-CE2 4.05Å; R420-Y424 WeakPolarHBondContact O-CB 3.38Å; R420-Y424 WeakPolarHBondContact O-CD2 3.39Å; R420-Y424 VanDerWaalsContact O-CG 3.23Å; R420-Y424 PolarHBondContact O-N 3.36Å |
| 421 | A | 80.3 | Confident | 75.2 | Confident | 42 Ų | 42 | 77 Ų | 77 | 35% | 0.347 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | H417 Y418 L419 Y424 V425 | H417-A421 WeakPolarHBondContact O-CB 3.24Å; H417-A421 PolarHBondContact O-N 3.29Å; Y418-A421 CarbonylContact O-C 3.55Å; Y418-A421 WeakPolarHBondContact O-CA 3.37Å; Y418-A421 WeakPolarHBondContact O-CB 3.49Å; Y418-A421 PolarHBondContact O-N 2.83Å; L419-A421 VanDerWaalsContact C-N 3.34Å; L419-A421 PolarHBondContact O-N 3.49Å; A421-Y424 PolarHBondContact O-N 2.9Å; A421-V425 WeakPolarHBondContact O-CG2 3.46Å; A421-V425 PolarHBondContact O-N 3.41Å |
| 422 | V | 83.4 | Confident | 77.4 | Confident | 8 Ų | 8 | 74.2 Ų | 74.2 | 5% | 0.048 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65 | -41.2 | 176 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | L172 V173 Y418 L419 V425 L426 | L172-V422 HydrophobicContact CB-CG1 4.05Å; L172-V422 HydrophobicContact CD1-CG1 4.02Å; L172-V422 HydrophobicContact CD1-CG2 4.29Å; V173-V422 HydrophobicContact CG2-CG1 3.68Å; Y418-V422 HydrophobicContact CD1-CG2 4.14Å; Y418-V422 HydrophobicContact CD2-CG2 4.12Å; Y418-V422 HydrophobicContact CE1-CG2 3.67Å; Y418-V422 HydrophobicContact CE2-CG2 3.57Å; Y418-V422 HydrophobicContact CG-CG2 4.41Å; Y418-V422 WeakPolarHBondContact O-CG2 3.46Å; Y418-V422 PolarHBondContact O-N 2.86Å; L419-V422 PolarHBondContact O-N 3.17Å; V422-V425 WeakPolarHBondContact O-CB 3.45Å; V422-V425 PolarHBondContact O-N 3.26Å; V422-L426 PolarHBondContact O-N 3.45Å |
| 423 | E | 84.8 | Confident | 79.6 | Confident | 70 Ų | 70 | 65.6 Ų | 65.6 | 33% | 0.327 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 173.6 | -76.6 | 179.2 | 175.1 | 0 | 0 | 111.8 | L419 R420 V425 L426 Y427 | L419-E423 WeakPolarHBondContact O-CB 3.47Å; L419-E423 VanDerWaalsContact O-CG 3.29Å; L419-E423 WeakPolarHBondContact O-CG 3.42Å; L419-E423 PolarHBondContact O-N 3.17Å; R420-E423 PolarHBondContact O-N 2.68Å; E423-V425 VanDerWaalsContact C-N 3.31Å; E423-V425 PolarHBondContact O-N 3.31Å; E423-L426 WeakPolarHBondContact O-CB 3.25Å; E423-L426 PolarHBondContact O-N 2.89Å; E423-L426 VanDerWaalsContact O-N 3.16Å; E423-Y427 HydrophobicContact CB-CD2 4.35Å; E423-Y427 HydrophobicContact CB-CE2 4.06Å; E423-Y427 WeakPolarHBondContact O-CD2 3.17Å; E423-Y427 PolarHBondContact O-N 3.37Å |
| 424 | Y | 88 | Confident | 81.9 | Confident | 164 Ų | 164 | 59.9 Ų | 59.9 | 64% | 0.643 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.9 | -37.2 | 173.5 | -71.5 | -47.7 | 0 | 0 | 0 | 112 | R420 A421 L426 G428 | R420-Y424 HydrophobicContact CB-CD2 4.42Å; R420-Y424 HydrophobicContact CB-CE2 4.05Å; R420-Y424 WeakPolarHBondContact O-CB 3.38Å; R420-Y424 WeakPolarHBondContact O-CD2 3.39Å; R420-Y424 VanDerWaalsContact O-CG 3.23Å; R420-Y424 PolarHBondContact O-N 3.36Å; A421-Y424 PolarHBondContact O-N 2.9Å; Y424-L426 VanDerWaalsContact C-N 3.34Å; Y424-G428 WeakPolarHBondContact O-CA 3.43Å; Y424-G428 PolarHBondContact O-N 3.37Å |
| 425 | V | 86.8 | Confident | 84 | Confident | 78 Ų | 78 | 57.7 Ų | 57.7 | 47% | 0.473 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 172.1 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | H165 F168 A421 V422 E423 G429 | H165-V425 PolarHBondContact CE1-O 3.09Å; H165-V425 PolarHBondContact NE2-O 2.91Å; F168-V425 HydrophobicContact CE1-CG1 4.4Å; A421-V425 WeakPolarHBondContact O-CG2 3.46Å; A421-V425 PolarHBondContact O-N 3.41Å; V422-V425 WeakPolarHBondContact O-CB 3.45Å; V422-V425 PolarHBondContact O-N 3.26Å; E423-V425 VanDerWaalsContact C-N 3.31Å; E423-V425 PolarHBondContact O-N 3.31Å; V425-G429 PolarHBondContact O-N 3.34Å |
| 426 | L | 89.4 | Confident | 85.9 | Confident | 37 Ų | 37 | 56.8 Ų | 56.8 | 19% | 0.194 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.8 | -58.1 | 174.8 | 178.1 | 64.6 | 0 | 0 | 0 | 111 | H165 H169 V422 E423 Y424 G428 G429 V430 | H165-L426 WeakPolarHBondContact NE2-CA 3.31Å; H165-L426 PolarHBondContact NE2-O 3.26Å; H169-L426 HydrophobicContact CB-CD1 3.95Å; V422-L426 PolarHBondContact O-N 3.45Å; E423-L426 WeakPolarHBondContact O-CB 3.25Å; E423-L426 PolarHBondContact O-N 2.89Å; E423-L426 VanDerWaalsContact O-N 3.16Å; Y424-L426 VanDerWaalsContact C-N 3.34Å; L426-G428 VanDerWaalsContact C-N 3.33Å; L426-G428 PolarHBondContact O-N 2.99Å; L426-G429 PolarHBondContact O-N 3.45Å; L426-V430 HydrophobicContact CD1-CG2 4.24Å; L426-V430 WeakPolarHBondContact O-CG2 3.42Å; L426-V430 PolarHBondContact O-N 2.91Å |
| 427 | Y | 90.4 | Very high | 87.3 | Confident | 146 Ų | 146 | 56.4 Ų | 56.4 | 57% | 0.573 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.5 | -39.4 | -178.6 | -66.1 | -50.1 | 0 | 0 | 0 | 112.3 | E423 V430 A431 | E423-Y427 HydrophobicContact CB-CD2 4.35Å; E423-Y427 HydrophobicContact CB-CE2 4.06Å; E423-Y427 WeakPolarHBondContact O-CD2 3.17Å; E423-Y427 PolarHBondContact O-N 3.37Å; Y427-V430 PolarHBondContact O-N 3.1Å; Y427-A431 VanDerWaalsContact O-CB 3.31Å; Y427-A431 WeakPolarHBondContact O-CB 3.28Å; Y427-A431 PolarHBondContact O-N 3.12Å |
| 428 | G | 89.1 | Confident | 88.4 | Confident | 33 Ų | 33 | 53.9 Ų | 53.9 | 34% | 0.34 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y424 L426 A431 L432 | Y424-G428 WeakPolarHBondContact O-CA 3.43Å; Y424-G428 PolarHBondContact O-N 3.37Å; L426-G428 VanDerWaalsContact C-N 3.33Å; L426-G428 PolarHBondContact O-N 2.99Å; G428-A431 PolarHBondContact O-N 2.93Å; G428-L432 VanDerWaalsContact O-CG 3.27Å; G428-L432 WeakPolarHBondContact O-CG 3.48Å; G428-L432 PolarHBondContact O-N 3.24Å |
| 429 | G | 89.4 | Confident | 89.6 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 6% | 0.062 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66 | -40.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | H165 V425 L426 L432 L433 | H165-G429 WeakPolarHBondContact NE2-CA 3.48Å; V425-G429 PolarHBondContact O-N 3.34Å; L426-G429 PolarHBondContact O-N 3.45Å; G429-L432 PolarHBondContact O-N 3.02Å; G429-L433 WeakPolarHBondContact O-CB 3.17Å; G429-L433 VanDerWaalsContact O-CG 3.3Å; G429-L433 WeakPolarHBondContact O-CG 3.42Å; G429-L433 PolarHBondContact O-N 3.43Å |
| 430 | V | 92.4 | Very high | 90.6 | Very high | 42 Ų | 42 | 51 Ų | 51 | 26% | 0.255 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 173.9 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | F162 L426 Y427 L432 L433 C434 | F162-V430 HydrophobicContact CE2-CG1 4.3Å; F162-V430 HydrophobicContact CE2-CG2 4.2Å; F162-V430 HydrophobicContact CZ-CG2 4.38Å; L426-V430 HydrophobicContact CD1-CG2 4.24Å; L426-V430 WeakPolarHBondContact O-CG2 3.42Å; L426-V430 PolarHBondContact O-N 2.91Å; Y427-V430 PolarHBondContact O-N 3.1Å; V430-L432 VanDerWaalsContact C-N 3.32Å; V430-L432 PolarHBondContact O-N 3.1Å; V430-L433 PolarHBondContact O-N 3.4Å; V430-L433 VanDerWaalsContact O-N 3.16Å; V430-C434 PolarHBondContact O-N 2.83Å; V430-C434 PolarHBondContact O-SG 3.32Å |
| 431 | A | 92 | Very high | 91.4 | Very high | 58 Ų | 58 | 51.1 Ų | 51.1 | 48% | 0.479 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y427 G428 L433 C434 | Y427-A431 VanDerWaalsContact O-CB 3.31Å; Y427-A431 WeakPolarHBondContact O-CB 3.28Å; Y427-A431 PolarHBondContact O-N 3.12Å; G428-A431 PolarHBondContact O-N 2.93Å; A431-L433 PolarHBondContact O-N 3.07Å; A431-C434 PolarHBondContact O-N 3.41Å |
| 432 | L | 92.1 | Very high | 92.1 | Very high | 40 Ų | 40 | 49.9 Ų | 49.9 | 21% | 0.209 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 176 | -72.6 | 167.8 | 0 | 0 | 0 | 112.4 | G428 G429 V430 P436 I485 L486 | G428-L432 VanDerWaalsContact O-CG 3.27Å; G428-L432 WeakPolarHBondContact O-CG 3.48Å; G428-L432 PolarHBondContact O-N 3.24Å; G429-L432 PolarHBondContact O-N 3.02Å; V430-L432 VanDerWaalsContact C-N 3.32Å; V430-L432 PolarHBondContact O-N 3.1Å; L432-P436 WeakPolarHBondContact O-CD 3.46Å; L432-I485 HydrophobicContact CD2-CG2 3.73Å; L432-L486 HydrophobicContact CD2-CD2 4.43Å; L432-L486 WeakPolarHBondContact O-CD2 3.32Å |
| 433 | L | 94.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -78.7 | -23.4 | 178.2 | -67.4 | 173.9 | 0 | 0 | 0 | 113.6 | V158 A161 F162 H165 G429 V430 A431 I435 P436 I437 F783 L787 | V158-L433 HydrophobicContact CG1-CD2 4.33Å; A161-L433 HydrophobicContact CB-CD2 3.85Å; F162-L433 HydrophobicContact CB-CD1 3.99Å; F162-L433 HydrophobicContact CD2-CB 4.17Å; F162-L433 HydrophobicContact CD2-CD1 3.86Å; F162-L433 HydrophobicContact CG-CD1 4.29Å; H165-L433 HydrophobicContact CB-CD1 4.19Å; G429-L433 WeakPolarHBondContact O-CB 3.17Å; G429-L433 VanDerWaalsContact O-CG 3.3Å; G429-L433 WeakPolarHBondContact O-CG 3.42Å; G429-L433 PolarHBondContact O-N 3.43Å; V430-L433 PolarHBondContact O-N 3.4Å; V430-L433 VanDerWaalsContact O-N 3.16Å; A431-L433 PolarHBondContact O-N 3.07Å; L433-I435 VanDerWaalsContact C-N 3.27Å; L433-I435 PolarHBondContact O-N 3.4Å; L433-P436 WeakPolarHBondContact O-CD 3.41Å; L433-P436 VanDerWaalsContact O-CG 3.24Å; L433-P436 WeakPolarHBondContact O-CG 3.26Å; L433-I437 WeakPolarHBondContact O-CG1 3.26Å; L433-I437 PolarHBondContact O-N 3.38Å; L433-F783 HydrophobicContact CD1-CD2 4.44Å; L433-F783 HydrophobicContact CD1-CE2 4Å; L433-F783 HydrophobicContact CD2-CE2 4.06Å; L433-F783 HydrophobicContact CG-CE2 4.13Å; L433-L787 HydrophobicContact CD2-CD1 4.37Å |
| 434 | C | 95.1 | Very high | 93.3 | Very high | 63 Ų | 63 | 49.2 Ų | 49.2 | 43% | 0.426 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67 | -28.2 | 171.5 | -72.9 | 0 | 0 | 0 | 0 | 112.6 | V430 A431 I437 L438 | V430-C434 PolarHBondContact O-N 2.83Å; V430-C434 PolarHBondContact O-SG 3.32Å; A431-C434 PolarHBondContact O-N 3.41Å; C434-I437 PolarHBondContact O-N 3.41Å; C434-L438 WeakPolarHBondContact O-CB 3.11Å; C434-L438 PolarHBondContact O-N 2.99Å |
| 435 | I | 95.5 | Very high | 93.6 | Very high | 31 Ų | 31 | 44.4 Ų | 44.4 | 16% | 0.159 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.2 | -55.8 | 177.1 | -63.8 | 168.4 | 0 | 0 | 0 | 112 | L433 I437 L438 I439 F482 L486 | L433-I435 VanDerWaalsContact C-N 3.27Å; L433-I435 PolarHBondContact O-N 3.4Å; I435-I437 VanDerWaalsContact C-N 3.32Å; I435-I437 PolarHBondContact O-N 3.38Å; I435-L438 WeakPolarHBondContact O-CB 3.44Å; I435-L438 PolarHBondContact O-N 3.14Å; I435-I439 HydrophobicContact CG2-CD1 4.17Å; I435-I439 WeakPolarHBondContact O-CG1 3.15Å; I435-I439 PolarHBondContact O-N 2.89Å; I435-F482 HydrophobicContact CD1-CD1 4.03Å; I435-F482 HydrophobicContact CD1-CE1 4.34Å; I435-F482 HydrophobicContact CD1-CG 4.37Å; I435-F482 HydrophobicContact CG2-CB 3.61Å; I435-F482 HydrophobicContact CG2-CD1 4.24Å; I435-F482 HydrophobicContact CG2-CD2 3.45Å; I435-F482 VanDerWaalsContact CG2-CD2 3.45Å; I435-F482 HydrophobicContact CG2-CE2 4.1Å; I435-F482 HydrophobicContact CG2-CG 3.52Å; I435-L486 HydrophobicContact CB-CD2 4.49Å; I435-L486 HydrophobicContact CD1-CD2 4.47Å; I435-L486 HydrophobicContact CG2-CD1 4.2Å |
| 436 | P | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.4 | -32.8 | 177.4 | 25.2 | -34.1 | 0 | 0 | 0 | 112.6 | V158 L432 L433 L438 I439 F440 T790 | V158-P436 HydrophobicContact CG1-CG 4.09Å; V158-P436 HydrophobicContact CG2-CB 4Å; V158-P436 HydrophobicContact CG2-CG 4.01Å; L432-P436 WeakPolarHBondContact O-CD 3.46Å; L433-P436 WeakPolarHBondContact O-CD 3.41Å; L433-P436 VanDerWaalsContact O-CG 3.24Å; L433-P436 WeakPolarHBondContact O-CG 3.26Å; P436-L438 VanDerWaalsContact C-N 3.34Å; P436-L438 PolarHBondContact O-N 3.45Å; P436-I439 WeakPolarHBondContact O-CB 3.28Å; P436-I439 PolarHBondContact O-N 3.11Å; P436-F440 HydrophobicContact CB-CE2 4.08Å; P436-F440 HydrophobicContact CB-CZ 3.87Å; P436-F440 WeakPolarHBondContact O-CD1 3.29Å; P436-F440 WeakPolarHBondContact O-CD2 3.49Å; P436-F440 WeakPolarHBondContact O-CG 3.44Å; P436-F440 PolarHBondContact O-N 2.9Å; P436-T790 HydrophobicContact CB-CG2 4.31Å |
| 437 | I | 95.9 | Very high | 94.3 | Very high | 71 Ų | 71 | 39.2 Ų | 39.2 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 173.3 | -66.7 | 172 | 0 | 0 | 0 | 110.9 | V158 L433 C434 I435 I439 F440 L441 | V158-I437 HydrophobicContact CG1-CD1 4.39Å; V158-I437 HydrophobicContact CG1-CG1 3.97Å; L433-I437 WeakPolarHBondContact O-CG1 3.26Å; L433-I437 PolarHBondContact O-N 3.38Å; C434-I437 PolarHBondContact O-N 3.41Å; I435-I437 VanDerWaalsContact C-N 3.32Å; I435-I437 PolarHBondContact O-N 3.38Å; I437-I439 VanDerWaalsContact C-N 3.34Å; I437-I439 PolarHBondContact O-N 3.04Å; I437-F440 PolarHBondContact O-N 2.63Å; I437-L441 WeakPolarHBondContact O-CB 3.08Å; I437-L441 PolarHBondContact O-N 2.85Å |
| 438 | L | 95.7 | Very high | 94.3 | Very high | 81 Ų | 81 | 35.4 Ų | 35.4 | 42% | 0.424 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62 | -42.1 | 175.3 | 178.6 | 63.8 | 0 | 0 | 0 | 111.5 | C434 I435 P436 F440 L441 I442 | C434-L438 WeakPolarHBondContact O-CB 3.11Å; C434-L438 PolarHBondContact O-N 2.99Å; I435-L438 WeakPolarHBondContact O-CB 3.44Å; I435-L438 PolarHBondContact O-N 3.14Å; P436-L438 VanDerWaalsContact C-N 3.34Å; P436-L438 PolarHBondContact O-N 3.45Å; L438-F440 VanDerWaalsContact C-N 3.33Å; L438-F440 PolarHBondContact O-N 3.45Å; L438-L441 PolarHBondContact O-N 3.12Å; L438-I442 HydrophobicContact CD1-CD1 4.27Å; L438-I442 HydrophobicContact CG-CD1 4.11Å; L438-I442 VanDerWaalsContact O-CG1 3.31Å; L438-I442 WeakPolarHBondContact O-CG1 3.16Å; L438-I442 PolarHBondContact O-N 3.4Å |
| 439 | I | 96.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.1 | -46.7 | 174.2 | -68.9 | 167.9 | 0 | 0 | 0 | 110.3 | I435 P436 I437 I442 L443 F478 M479 F794 | I435-I439 HydrophobicContact CG2-CD1 4.17Å; I435-I439 WeakPolarHBondContact O-CG1 3.15Å; I435-I439 PolarHBondContact O-N 2.89Å; P436-I439 WeakPolarHBondContact O-CB 3.28Å; P436-I439 PolarHBondContact O-N 3.11Å; I437-I439 VanDerWaalsContact C-N 3.34Å; I437-I439 PolarHBondContact O-N 3.04Å; I439-I442 PolarHBondContact O-N 3.26Å; I439-L443 HydrophobicContact CG2-CD1 4.02Å; I439-L443 HydrophobicContact CG2-CG 4.43Å; I439-L443 WeakPolarHBondContact O-CG 3.47Å; I439-L443 PolarHBondContact O-N 3.4Å; I439-F478 HydrophobicContact CD1-CB 4.18Å; I439-F478 HydrophobicContact CG1-CB 3.73Å; I439-M479 HydrophobicContact CD1-CG 4.11Å; I439-M479 HydrophobicContact CG2-CG 3.54Å; I439-M479 HydrophobicContact CG2-SD 4.22Å; I439-F794 HydrophobicContact CD1-CZ 4.06Å |
| 440 | F | 95.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.009 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67 | -39.2 | -179.9 | -54.4 | -28.6 | 0 | 0 | 0 | 112.3 | V151 Q154 L155 V158 P436 I437 L438 I442 L443 Y444 T790 F794 | V151-F440 HydrophobicContact CG1-CB 4.1Å; V151-F440 HydrophobicContact CG1-CD1 4.15Å; V151-F440 HydrophobicContact CG1-CG 4.27Å; Q154-F440 HydrophobicContact CB-CE1 3.69Å; Q154-F440 HydrophobicContact CB-CE2 4.19Å; Q154-F440 HydrophobicContact CB-CZ 3.51Å; Q154-F440 HydrophobicContact CG-CE1 4.45Å; L155-F440 HydrophobicContact CB-CD2 4.27Å; L155-F440 HydrophobicContact CD1-CD2 4Å; V158-F440 HydrophobicContact CB-CE2 4.04Å; V158-F440 HydrophobicContact CG2-CE2 3.57Å; V158-F440 HydrophobicContact CG2-CZ 3.86Å; P436-F440 HydrophobicContact CB-CE2 4.08Å; P436-F440 HydrophobicContact CB-CZ 3.87Å; P436-F440 WeakPolarHBondContact O-CD1 3.29Å; P436-F440 WeakPolarHBondContact O-CD2 3.49Å; P436-F440 WeakPolarHBondContact O-CG 3.44Å; P436-F440 PolarHBondContact O-N 2.9Å; I437-F440 PolarHBondContact O-N 2.63Å; L438-F440 VanDerWaalsContact C-N 3.33Å; L438-F440 PolarHBondContact O-N 3.45Å; F440-I442 VanDerWaalsContact C-N 3.31Å; F440-I442 PolarHBondContact O-N 2.92Å; F440-L443 PolarHBondContact O-N 3.39Å; F440-Y444 HydrophobicContact CB-CD2 4.41Å; F440-Y444 HydrophobicContact CB-CE2 4.43Å; F440-Y444 WeakPolarHBondContact O-CB 3.32Å; F440-Y444 WeakPolarHBondContact O-CD2 3.41Å; F440-Y444 PolarHBondContact O-N 3.2Å; F440-T790 HydrophobicContact CE1-CG2 4.43Å; F440-T790 HydrophobicContact CZ-CG2 3.66Å; F440-F794 HydrophobicContact CE1-CE1 4.24Å |
| 441 | L | 96.2 | Very high | 94.1 | Very high | 99 Ų | 99 | 37.2 Ų | 37.2 | 52% | 0.518 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.6 | -46.7 | 173.8 | -179.5 | 66.3 | 0 | 0 | 0 | 110.7 | I437 L438 L443 Y444 L445 | I437-L441 WeakPolarHBondContact O-CB 3.08Å; I437-L441 PolarHBondContact O-N 2.85Å; L438-L441 PolarHBondContact O-N 3.12Å; L441-L443 PolarHBondContact O-N 2.97Å; L441-Y444 PolarHBondContact O-N 2.92Å; L441-L445 HydrophobicContact CG-CD1 4.29Å; L441-L445 WeakPolarHBondContact O-CB 3.46Å; L441-L445 VanDerWaalsContact O-CG 3.3Å; L441-L445 WeakPolarHBondContact O-CG 3.49Å; L441-L445 PolarHBondContact O-N 2.86Å |
| 442 | I | 96.9 | Very high | 93.8 | Very high | 16 Ų | 16 | 39.8 Ų | 39.8 | 8% | 0.082 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62 | -42.6 | 176.6 | -70.4 | 168.6 | 0 | 0 | 0 | 111.2 | L438 I439 F440 L445 G446 F471 A474 F478 | L438-I442 HydrophobicContact CD1-CD1 4.27Å; L438-I442 HydrophobicContact CG-CD1 4.11Å; L438-I442 VanDerWaalsContact O-CG1 3.31Å; L438-I442 WeakPolarHBondContact O-CG1 3.16Å; L438-I442 PolarHBondContact O-N 3.4Å; I439-I442 PolarHBondContact O-N 3.26Å; F440-I442 VanDerWaalsContact C-N 3.31Å; F440-I442 PolarHBondContact O-N 2.92Å; I442-L445 PolarHBondContact O-N 3.21Å; I442-G446 PolarHBondContact O-N 3.26Å; I442-F471 HydrophobicContact CG2-CB 4.42Å; I442-F471 HydrophobicContact CG2-CD1 4.22Å; I442-F471 WeakPolarHBondContact CG2-O 3.49Å; I442-A474 HydrophobicContact CG2-CB 4.17Å; I442-F478 HydrophobicContact CD1-CD2 3.58Å; I442-F478 HydrophobicContact CD1-CE2 3.64Å |
| 443 | L | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.3 | -41 | 177.5 | -69.5 | 174.9 | 0 | 0 | 0 | 112.3 | V151 I439 F440 L441 G446 L447 L472 M479 A801 | V151-L443 HydrophobicContact CG2-CB 4.3Å; V151-L443 HydrophobicContact CG2-CD1 3.78Å; I439-L443 HydrophobicContact CG2-CD1 4.02Å; I439-L443 HydrophobicContact CG2-CG 4.43Å; I439-L443 WeakPolarHBondContact O-CG 3.47Å; I439-L443 PolarHBondContact O-N 3.4Å; F440-L443 PolarHBondContact O-N 3.39Å; L441-L443 PolarHBondContact O-N 2.97Å; L443-G446 CarbonylContact O-C 3.36Å; L443-G446 PolarHBondContact O-N 2.96Å; L443-L447 WeakPolarHBondContact O-CG 3.47Å; L443-L447 PolarHBondContact O-N 3.47Å; L443-L472 HydrophobicContact CD2-CD2 3.9Å; L443-M479 HydrophobicContact CD1-CE 4.13Å; L443-M479 HydrophobicContact CD2-CE 4.29Å; L443-A801 HydrophobicContact CD2-CB 4.3Å |
| 444 | Y | 95.9 | Very high | 92.8 | Very high | 65 Ų | 65 | 42.8 Ų | 42.8 | 26% | 0.255 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.4 | -41.8 | 175.7 | -81.6 | -60.5 | 0 | 0 | 0 | 112.1 | V151 T152 L155 F440 L441 G446 L447 C448 | V151-Y444 HydrophobicContact CG1-CD2 4.08Å; V151-Y444 HydrophobicContact CG1-CE1 4.28Å; V151-Y444 HydrophobicContact CG1-CE2 3.53Å; T152-Y444 WeakPolarHBondContact CA-OH 3.36Å; T152-Y444 WeakPolarHBondContact CG2-OH 3.3Å; T152-Y444 PolarHBondContact N-OH 3.47Å; L155-Y444 HydrophobicContact CD2-CE2 4.29Å; F440-Y444 HydrophobicContact CB-CD2 4.41Å; F440-Y444 HydrophobicContact CB-CE2 4.43Å; F440-Y444 WeakPolarHBondContact O-CB 3.32Å; F440-Y444 WeakPolarHBondContact O-CD2 3.41Å; F440-Y444 PolarHBondContact O-N 3.2Å; L441-Y444 PolarHBondContact O-N 2.92Å; Y444-G446 VanDerWaalsContact C-N 3.27Å; Y444-G446 PolarHBondContact O-N 3.41Å; Y444-L447 HydrophobicContact CD1-CD1 4.22Å; Y444-L447 PolarHBondContact O-N 3.02Å; Y444-C448 WeakPolarHBondContact O-CB 3.27Å; Y444-C448 PolarHBondContact O-N 2.89Å; Y444-C448 PolarHBondContact O-SG 3.05Å |
| 445 | L | 94.7 | Very high | 92.1 | Very high | 62 Ų | 62 | 42 Ų | 42 | 33% | 0.325 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.4 | -40.7 | 171.8 | -70.8 | 172.9 | 0 | 0 | 0 | 111.2 | L441 I442 C448 F449 F471 | L441-L445 HydrophobicContact CG-CD1 4.29Å; L441-L445 WeakPolarHBondContact O-CB 3.46Å; L441-L445 VanDerWaalsContact O-CG 3.3Å; L441-L445 WeakPolarHBondContact O-CG 3.49Å; L441-L445 PolarHBondContact O-N 2.86Å; I442-L445 PolarHBondContact O-N 3.21Å; L445-C448 PolarHBondContact O-N 3.2Å; L445-F449 HydrophobicContact CB-CD2 4.48Å; L445-F449 HydrophobicContact CB-CE2 4.28Å; L445-F449 HydrophobicContact CD2-CE2 4.31Å; L445-F449 WeakPolarHBondContact O-CD2 3.21Å; L445-F449 WeakPolarHBondContact O-CG 3.31Å; L445-F449 PolarHBondContact O-N 3.45Å; L445-F471 HydrophobicContact CB-CD1 4.34Å; L445-F471 HydrophobicContact CB-CG 4.34Å; L445-F471 HydrophobicContact CD1-CE1 4.27Å |
| 446 | G | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.9 | -42.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I442 L443 Y444 G450 G468 | I442-G446 PolarHBondContact O-N 3.26Å; L443-G446 CarbonylContact O-C 3.36Å; L443-G446 PolarHBondContact O-N 2.96Å; Y444-G446 VanDerWaalsContact C-N 3.27Å; Y444-G446 PolarHBondContact O-N 3.41Å; G446-G450 WeakPolarHBondContact O-CA 3.46Å; G446-G450 PolarHBondContact O-N 3.47Å; G446-G468 WeakPolarHBondContact CA-O 3.31Å; G446-G468 WeakPolarHBondContact O-CA 3.36Å |
| 447 | L | 94.9 | Very high | 90.1 | Very high | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.6 | -48.1 | 174.3 | -76 | 164.4 | 0 | 0 | 0 | 111.4 | T144 L147 V148 L443 Y444 G450 T451 L472 L804 | T144-L447 HydrophobicContact CG2-CD2 3.93Å; L147-L447 HydrophobicContact CB-CD2 4.4Å; L147-L447 HydrophobicContact CD2-CD1 4.49Å; L147-L447 HydrophobicContact CD2-CD2 3.98Å; L147-L447 HydrophobicContact CD2-CG 4.28Å; L147-L447 HydrophobicContact CG-CD1 4.36Å; L147-L447 HydrophobicContact CG-CD2 4.36Å; V148-L447 HydrophobicContact CG2-CD1 3.8Å; V148-L447 HydrophobicContact CG2-CD2 4.09Å; V148-L447 HydrophobicContact CG2-CG 4.5Å; L443-L447 WeakPolarHBondContact O-CG 3.47Å; L443-L447 PolarHBondContact O-N 3.47Å; Y444-L447 HydrophobicContact CD1-CD1 4.22Å; Y444-L447 PolarHBondContact O-N 3.02Å; L447-G450 PolarHBondContact O-N 2.88Å; L447-T451 WeakPolarHBondContact O-CB 3.42Å; L447-T451 WeakPolarHBondContact O-CG2 3.08Å; L447-T451 PolarHBondContact O-N 3.34Å; L447-T451 PolarHBondContact O-OG1 3.29Å; L447-L472 HydrophobicContact CG-CD2 4.46Å; L447-L804 HydrophobicContact CD2-CD2 3.93Å |
| 448 | C | 91.9 | Very high | 88.6 | Confident | 67 Ų | 67 | 54.2 Ų | 54.2 | 45% | 0.453 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.2 | -51.9 | -179.4 | -69.9 | 0 | 0 | 0 | 0 | 112.1 | Y444 L445 G450 T451 C452 | Y444-C448 WeakPolarHBondContact O-CB 3.27Å; Y444-C448 PolarHBondContact O-N 2.89Å; Y444-C448 PolarHBondContact O-SG 3.05Å; L445-C448 PolarHBondContact O-N 3.2Å; C448-G450 VanDerWaalsContact C-N 3.25Å; C448-G450 PolarHBondContact O-N 3.46Å; C448-T451 PolarHBondContact O-OG1 2.9Å; C448-C452 VanDerWaalsContact O-CB 3.28Å; C448-C452 WeakPolarHBondContact O-CB 3.13Å; C448-C452 PolarHBondContact O-N 2.91Å |
| 449 | F | 90.3 | Very high | 87.2 | Confident | 52 Ų | 52 | 58.7 Ų | 58.7 | 23% | 0.228 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.3 | -27.9 | 177.4 | -63.4 | -45.1 | 0 | 0 | 0 | 112.4 | L445 G453 C463 V467 F471 | L445-F449 HydrophobicContact CB-CD2 4.48Å; L445-F449 HydrophobicContact CB-CE2 4.28Å; L445-F449 HydrophobicContact CD2-CE2 4.31Å; L445-F449 WeakPolarHBondContact O-CD2 3.21Å; L445-F449 WeakPolarHBondContact O-CG 3.31Å; L445-F449 PolarHBondContact O-N 3.45Å; F449-G453 WeakPolarHBondContact O-CA 3.49Å; F449-G453 PolarHBondContact O-N 3.02Å; F449-C463 HydrophobicContact CD1-CB 4.12Å; F449-C463 HydrophobicContact CE1-CB 4.34Å; F449-V467 HydrophobicContact CD2-CG1 4.1Å; F449-F471 AromaticContact CD2-CD2 3.69Å; F449-F471 HydrophobicContact CD2-CD2 3.69Å; F449-F471 AromaticContact CD2-CE2 3.68Å; F449-F471 HydrophobicContact CD2-CE2 3.68Å; F449-F471 AromaticContact CE2-CD2 4Å; F449-F471 HydrophobicContact CE2-CD2 4Å; F449-F471 AromaticContact CE2-CE2 3.52Å; F449-F471 HydrophobicContact CE2-CE2 3.52Å; F449-F471 HydrophobicContact CE2-CZ 4.24Å |
| 450 | G | 88.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -75.5 | -35.5 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | G446 L447 C448 R465 Y808 | G446-G450 WeakPolarHBondContact O-CA 3.46Å; G446-G450 PolarHBondContact O-N 3.47Å; L447-G450 PolarHBondContact O-N 2.88Å; C448-G450 VanDerWaalsContact C-N 3.25Å; C448-G450 PolarHBondContact O-N 3.46Å; G450-R465 WeakPolarHBondContact O-CG 3.44Å; G450-Y808 VanDerWaalsContact C-CZ 3.43Å; G450-Y808 VanDerWaalsContact CA-CZ 3.44Å; G450-Y808 WeakPolarHBondContact O-CE1 3.48Å |
| 451 | T | 88 | Confident | 85 | Confident | 67 Ų | 67 | 61.7 Ų | 61.7 | 41% | 0.411 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -87.3 | -44 | 179.2 | 55.7 | 0 | 0 | 0 | 0 | 112.1 | T144 L447 C448 Y808 | T144-T451 HydrophobicContact CG2-CG2 3.46Å; T144-T451 VanDerWaalsContact CG2-CG2 3.46Å; L447-T451 WeakPolarHBondContact O-CB 3.42Å; L447-T451 WeakPolarHBondContact O-CG2 3.08Å; L447-T451 PolarHBondContact O-N 3.34Å; L447-T451 PolarHBondContact O-OG1 3.29Å; C448-T451 PolarHBondContact O-OG1 2.9Å; T451-Y808 WeakPolarHBondContact CG2-OH 3.37Å |
| 452 | C | 85.7 | Confident | 84 | Confident | 112 Ų | 112 | 64.3 Ų | 64.3 | 76% | 0.757 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -89.1 | -21.4 | -176.5 | -59.4 | 0 | 0 | 0 | 0 | 113.5 | C448 | C448-C452 VanDerWaalsContact O-CB 3.28Å; C448-C452 WeakPolarHBondContact O-CB 3.13Å; C448-C452 PolarHBondContact O-N 2.91Å |
| 453 | G | 82.6 | Confident | 83.2 | Confident | 5 Ų | 5 | 67.1 Ų | 67.1 | 5% | 0.052 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -75.3 | 154.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F449 C463 R465 | F449-G453 WeakPolarHBondContact O-CA 3.49Å; F449-G453 PolarHBondContact O-N 3.02Å; G453-C463 WeakPolarHBondContact CA-O 3.5Å; G453-R465 WeakPolarHBondContact O-CG 3.37Å; G453-R465 PolarHBondContact O-NE 3.47Å |
| 454 | D | 82 | Confident | 82.7 | Confident | 99 Ų | 99 | 68.2 Ų | 68.2 | 53% | 0.529 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | -71.4 | 161 | 169.6 | -76.5 | -37.4 | 0 | 0 | 0 | 111.9 | Y457 R465 | D454-Y457 HydrophobicContact CB-CE1 4.1Å; D454-R465 WeakPolarHBondContact O-CG 3.41Å; D454-R465 PolarHBondContact O-N 2.84Å |
| 455 | R | 81 | Confident | 82.4 | Confident | 47 Ų | 47 | 67.2 Ų | 67.2 | 18% | 0.177 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 148.7 | 173.8 | -73.9 | -166.6 | 175.9 | 75.7 | 0.3 | 110.2 | D132 Y457 T811 | D132-R455 IonicContact OD2-CZ 3.08Å; D132-R455 IonicContact OD2-NE 3.47Å; D132-R455 IonicContact OD2-NH2 3.69Å; D132-R455 PolarHBondContact OD2-NH2 3.31Å; R455-Y457 VanDerWaalsContact C-N 3.34Å; R455-Y457 WeakPolarHBondContact O-CD1 3Å; R455-Y457 WeakPolarHBondContact O-CE1 3.06Å; R455-Y457 PolarHBondContact O-N 3.25Å; R455-T811 WeakPolarHBondContact CD-O 3.3Å |
| 456 | P | 76.3 | Confident | 82 | Confident | 29 Ų | 29 | 64.9 Ų | 64.9 | 19% | 0.188 | 36% | 0.355 | C | S | . | . | trans | -77.2 | 81.9 | -178.1 | 29.6 | -30 | 0 | 0 | 0 | 111 | T811 | P456-T811 HydrophobicContact CG-CG2 4.21Å; P456-T811 WeakPolarHBondContact O-CG2 3.49Å | ||
| 457 | Y | 71.5 | Confident | 81.7 | Confident | 120 Ų | 120 | 66.7 Ų | 66.7 | 47% | 0.471 | 37% | 0.366 | S | S | . | . | trans | -92.9 | 165.6 | 165.3 | 55.6 | -87.9 | 0 | 0 | 0 | 110.4 | D454 R455 E459 A460 | D454-Y457 HydrophobicContact CB-CE1 4.1Å; R455-Y457 VanDerWaalsContact C-N 3.34Å; R455-Y457 WeakPolarHBondContact O-CD1 3Å; R455-Y457 WeakPolarHBondContact O-CE1 3.06Å; R455-Y457 PolarHBondContact O-N 3.25Å; Y457-E459 HydrophobicContact CD2-CB 3.91Å; Y457-E459 HydrophobicContact CE2-CB 3.85Å; Y457-E459 PolarHBondContact O-N 3.39Å; Y457-E459 VanDerWaalsContact O-N 3.16Å; Y457-A460 HydrophobicContact CD1-CB 3.97Å; Y457-A460 HydrophobicContact CD2-CB 4.13Å; Y457-A460 HydrophobicContact CE1-CB 3.88Å; Y457-A460 HydrophobicContact CE2-CB 4.05Å; Y457-A460 VanDerWaalsContact CE2-N 3.27Å; Y457-A460 HydrophobicContact CG-CB 4.07Å; Y457-A460 VanDerWaalsContact O-CB 3.26Å; Y457-A460 WeakPolarHBondContact O-CB 3.26Å; Y457-A460 PolarHBondContact O-N 3.17Å | ||
| 458 | E | 64.4 | Low | 81.5 | Confident | 208 Ų | 208 | 66.4 Ų | 66.4 | 97% | 0.972 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -32.4 | -174.2 | -68.4 | -175 | 167.3 | 0 | 0 | 113.5 | ||
| 459 | E | 67.5 | Low | 81.5 | Confident | 175 Ų | 175 | 63.2 Ų | 63.2 | 82% | 0.818 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 11.9 | 179.7 | -58 | -178.8 | 177.5 | 0 | 0 | 113.8 | Y457 | Y457-E459 HydrophobicContact CD2-CB 3.91Å; Y457-E459 HydrophobicContact CE2-CB 3.85Å; Y457-E459 PolarHBondContact O-N 3.39Å; Y457-E459 VanDerWaalsContact O-N 3.16Å |
| 460 | A | 67.9 | Low | 81.5 | Confident | 20 Ų | 20 | 64.7 Ų | 64.7 | 17% | 0.165 | 35% | 0.354 | C | S | . | . | trans | -67.9 | 140.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y457 N464 | Y457-A460 HydrophobicContact CD1-CB 3.97Å; Y457-A460 HydrophobicContact CD2-CB 4.13Å; Y457-A460 HydrophobicContact CE1-CB 3.88Å; Y457-A460 HydrophobicContact CE2-CB 4.05Å; Y457-A460 VanDerWaalsContact CE2-N 3.27Å; Y457-A460 HydrophobicContact CG-CB 4.07Å; Y457-A460 VanDerWaalsContact O-CB 3.26Å; Y457-A460 WeakPolarHBondContact O-CB 3.26Å; Y457-A460 PolarHBondContact O-N 3.17Å; A460-N464 HydrophobicContact CB-CB 4.05Å | ||
| 461 | G | 76.9 | Confident | 81.8 | Confident | 47 Ų | 47 | 67.9 Ų | 67.9 | 49% | 0.485 | 37% | 0.368 | S | S | . | . | trans | -61.2 | 172.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | C463 N464 | G461-C463 PolarHBondContact O-N 2.63Å; G461-N464 PolarHBondContact O-ND2 3.31Å | ||
| 462 | L | 75.3 | Confident | 82.1 | Confident | 154 Ų | 154 | 64.7 Ų | 64.7 | 81% | 0.806 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -54.5 | -39.1 | 179.6 | -174.8 | 67.2 | 0 | 0 | 0 | 112.4 | N464 | L462-N464 PolarHBondContact O-N 3.43Š|
| 463 | C | 80.5 | Confident | 82.4 | Confident | 74 Ų | 74 | 60.4 Ų | 60.4 | 50% | 0.5 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -86.4 | 76.6 | 177.1 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | F449 G453 G461 | F449-C463 HydrophobicContact CD1-CB 4.12Å; F449-C463 HydrophobicContact CE1-CB 4.34Å; G453-C463 WeakPolarHBondContact CA-O 3.5Å; G461-C463 PolarHBondContact O-N 2.63Å |
| 464 | N | 86.9 | Confident | 83 | Confident | 23 Ų | 23 | 62.2 Ų | 62.2 | 12% | 0.123 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -120.6 | 163.8 | 176.6 | 70 | 56.1 | 0 | 0 | 0 | 112.8 | A460 G461 L462 G466 V467 G468 | A460-N464 HydrophobicContact CB-CB 4.05Å; G461-N464 PolarHBondContact O-ND2 3.31Å; L462-N464 PolarHBondContact O-N 3.43Å; N464-G466 PolarHBondContact O-N 3.06Å; N464-G466 VanDerWaalsContact OD1-CA 3.29Å; N464-G466 WeakPolarHBondContact OD1-CA 3.3Å; N464-G466 PolarHBondContact OD1-N 3.25Å; N464-V467 WeakPolarHBondContact O-CB 3.26Å; N464-V467 PolarHBondContact O-N 3.44Å; N464-V467 PolarHBondContact OD1-N 3.43Å; N464-G468 PolarHBondContact O-N 2.86Å; N464-G468 VanDerWaalsContact O-N 3.16Å |
| 465 | R | 88 | Confident | 83.6 | Confident | 45 Ų | 45 | 57.5 Ų | 57.5 | 17% | 0.17 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.4 | -28.5 | -179.4 | -62.7 | -178.3 | -174.7 | -173.7 | -6.7 | 113.1 | R140 G450 G453 D454 V467 G468 A469 Y808 | R140-R465 VanDerWaalsContact NH1-NH1 3.12Å; G450-R465 WeakPolarHBondContact O-CG 3.44Å; G453-R465 WeakPolarHBondContact O-CG 3.37Å; G453-R465 PolarHBondContact O-NE 3.47Å; D454-R465 WeakPolarHBondContact O-CG 3.41Å; D454-R465 PolarHBondContact O-N 2.84Å; R465-V467 VanDerWaalsContact C-N 3.34Å; R465-G468 PolarHBondContact O-N 3.37Å; R465-A469 PolarHBondContact O-N 3.45Å; R465-Y808 HydrophobicContact CB-CG 4.45Å; R465-Y808 VanDerWaalsContact CB-O 3.24Å; R465-Y808 WeakPolarHBondContact CB-O 3.47Å; R465-Y808 WeakPolarHBondContact O-CB 3.41Å |
| 466 | G | 86.3 | Confident | 84.3 | Confident | 12 Ų | 12 | 55.2 Ų | 55.2 | 12% | 0.124 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.3 | -43 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N464 A469 N470 | N464-G466 PolarHBondContact O-N 3.06Å; N464-G466 VanDerWaalsContact OD1-CA 3.29Å; N464-G466 WeakPolarHBondContact OD1-CA 3.3Å; N464-G466 PolarHBondContact OD1-N 3.25Å; G466-A469 WeakPolarHBondContact O-CB 3.3Å; G466-A469 PolarHBondContact O-N 3.27Å; G466-N470 PolarHBondContact O-N 3.39Å; G466-N470 VanDerWaalsContact O-N 3.1Å |
| 467 | V | 89.3 | Confident | 85.1 | Confident | 38 Ų | 38 | 54.4 Ų | 54.4 | 23% | 0.23 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 173 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | F449 N464 R465 A469 N470 F471 | F449-V467 HydrophobicContact CD2-CG1 4.1Å; N464-V467 WeakPolarHBondContact O-CB 3.26Å; N464-V467 PolarHBondContact O-N 3.44Å; N464-V467 PolarHBondContact OD1-N 3.43Å; R465-V467 VanDerWaalsContact C-N 3.34Å; V467-A469 VanDerWaalsContact C-N 3.31Å; V467-A469 PolarHBondContact O-N 2.83Å; V467-N470 WeakPolarHBondContact O-CB 3.32Å; V467-N470 PolarHBondContact O-N 3.49Å; V467-F471 HydrophobicContact CG1-CD2 3.71Å; V467-F471 HydrophobicContact CG1-CE2 3.5Å; V467-F471 WeakPolarHBondContact O-CD2 3.48Å; V467-F471 PolarHBondContact O-N 3.07Å |
| 468 | G | 91 | Very high | 86.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.2 | -42.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G446 N464 R465 N470 F471 L472 | G446-G468 WeakPolarHBondContact CA-O 3.31Å; G446-G468 WeakPolarHBondContact O-CA 3.36Å; N464-G468 PolarHBondContact O-N 2.86Å; N464-G468 VanDerWaalsContact O-N 3.16Å; R465-G468 PolarHBondContact O-N 3.37Å; G468-N470 VanDerWaalsContact C-N 3.34Å; G468-N470 PolarHBondContact O-N 3.43Å; G468-F471 PolarHBondContact O-N 3.37Å; G468-L472 WeakPolarHBondContact O-CG 3.37Å; G468-L472 PolarHBondContact O-N 3.5Å |
| 469 | A | 90.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.1 | -39.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R465 G466 V467 L472 L473 A805 R809 | R465-A469 PolarHBondContact O-N 3.45Å; G466-A469 WeakPolarHBondContact O-CB 3.3Å; G466-A469 PolarHBondContact O-N 3.27Å; V467-A469 VanDerWaalsContact C-N 3.31Å; V467-A469 PolarHBondContact O-N 2.83Å; A469-L472 PolarHBondContact O-N 2.98Å; A469-L473 VanDerWaalsContact O-CG 3.31Å; A469-L473 WeakPolarHBondContact O-CG 3.47Å; A469-L473 PolarHBondContact O-N 2.8Å; A469-A805 HydrophobicContact CB-CB 4.03Å; A469-A805 WeakPolarHBondContact CB-O 3.49Å; A469-R809 HydrophobicContact CB-CG 3.73Å |
| 470 | N | 90.3 | Very high | 89.1 | Confident | 84 Ų | 84 | 34.2 Ų | 34.2 | 45% | 0.449 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.5 | -41.6 | 177.5 | -68.8 | -17.1 | 0 | 0 | 0 | 111.3 | G466 V467 G468 L473 A474 | G466-N470 PolarHBondContact O-N 3.39Å; G466-N470 VanDerWaalsContact O-N 3.1Å; V467-N470 WeakPolarHBondContact O-CB 3.32Å; V467-N470 PolarHBondContact O-N 3.49Å; G468-N470 VanDerWaalsContact C-N 3.34Å; G468-N470 PolarHBondContact O-N 3.43Å; N470-L473 PolarHBondContact O-N 3.33Å; N470-A474 WeakPolarHBondContact O-CB 3.2Å; N470-A474 PolarHBondContact O-N 2.94Å |
| 471 | F | 95 | Very high | 90.3 | Very high | 67 Ų | 67 | 38.6 Ų | 38.6 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.9 | -46.2 | 173.5 | -83 | -70.1 | 0 | 0 | 0 | 112 | I442 L445 F449 V467 G468 L473 A474 G475 | I442-F471 HydrophobicContact CG2-CB 4.42Å; I442-F471 HydrophobicContact CG2-CD1 4.22Å; I442-F471 WeakPolarHBondContact CG2-O 3.49Å; L445-F471 HydrophobicContact CB-CD1 4.34Å; L445-F471 HydrophobicContact CB-CG 4.34Å; L445-F471 HydrophobicContact CD1-CE1 4.27Å; F449-F471 AromaticContact CD2-CD2 3.69Å; F449-F471 HydrophobicContact CD2-CD2 3.69Å; F449-F471 AromaticContact CD2-CE2 3.68Å; F449-F471 HydrophobicContact CD2-CE2 3.68Å; F449-F471 AromaticContact CE2-CD2 4Å; F449-F471 HydrophobicContact CE2-CD2 4Å; F449-F471 AromaticContact CE2-CE2 3.52Å; F449-F471 HydrophobicContact CE2-CE2 3.52Å; F449-F471 HydrophobicContact CE2-CZ 4.24Å; V467-F471 HydrophobicContact CG1-CD2 3.71Å; V467-F471 HydrophobicContact CG1-CE2 3.5Å; V467-F471 WeakPolarHBondContact O-CD2 3.48Å; V467-F471 PolarHBondContact O-N 3.07Å; G468-F471 PolarHBondContact O-N 3.37Å; F471-L473 VanDerWaalsContact C-N 3.27Å; F471-L473 PolarHBondContact O-N 3.2Å; F471-A474 PolarHBondContact O-N 3.24Å; F471-A474 VanDerWaalsContact O-N 3.15Å; F471-G475 PolarHBondContact O-N 3.44Å |
| 472 | L | 95 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.5 | -43 | 175.8 | -72 | -177.2 | 0 | 0 | 0 | 112.1 | L147 L443 L447 G468 A469 G475 V476 A801 L804 A805 Y808 | L147-L472 HydrophobicContact CD2-CD2 3.78Å; L443-L472 HydrophobicContact CD2-CD2 3.9Å; L447-L472 HydrophobicContact CG-CD2 4.46Å; G468-L472 WeakPolarHBondContact O-CG 3.37Å; G468-L472 PolarHBondContact O-N 3.5Å; A469-L472 PolarHBondContact O-N 2.98Å; L472-G475 PolarHBondContact O-N 3.44Å; L472-V476 VanDerWaalsContact O-CG2 3.32Å; L472-V476 WeakPolarHBondContact O-CG2 3.39Å; L472-V476 PolarHBondContact O-N 3.35Å; L472-A801 HydrophobicContact CB-CB 4.45Å; L472-L804 HydrophobicContact CD1-CB 4.09Å; L472-L804 HydrophobicContact CD1-CD2 3.93Å; L472-L804 HydrophobicContact CD1-CG 3.94Å; L472-A805 HydrophobicContact CB-CB 4.32Å; L472-Y808 HydrophobicContact CD1-CD2 3.88Å; L472-Y808 HydrophobicContact CD1-CE2 3.7Å |
| 473 | L | 92.5 | Very high | 92.1 | Very high | 22 Ų | 22 | 31.4 Ų | 31.4 | 12% | 0.115 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.9 | -33.6 | 178.4 | -69.6 | 170 | 0 | 0 | 0 | 113 | F115 A469 N470 F471 V476 G477 V802 A805 | F115-L473 HydrophobicContact CZ-CD2 4.29Å; A469-L473 VanDerWaalsContact O-CG 3.31Å; A469-L473 WeakPolarHBondContact O-CG 3.47Å; A469-L473 PolarHBondContact O-N 2.8Å; N470-L473 PolarHBondContact O-N 3.33Å; F471-L473 VanDerWaalsContact C-N 3.27Å; F471-L473 PolarHBondContact O-N 3.2Å; L473-V476 PolarHBondContact O-N 2.97Å; L473-G477 PolarHBondContact O-N 3.31Å; L473-V802 HydrophobicContact CD2-CG2 4.3Å; L473-A805 HydrophobicContact CD1-CB 4.12Å; L473-A805 HydrophobicContact CD2-CB 4.09Å; L473-A805 HydrophobicContact CG-CB 3.78Å |
| 474 | A | 94.1 | Very high | 92.8 | Very high | 42 Ų | 42 | 30.5 Ų | 30.5 | 35% | 0.347 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.1 | -44.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | I442 N470 F471 V476 G477 F478 | I442-A474 HydrophobicContact CG2-CB 4.17Å; N470-A474 WeakPolarHBondContact O-CB 3.2Å; N470-A474 PolarHBondContact O-N 2.94Å; F471-A474 PolarHBondContact O-N 3.24Å; F471-A474 VanDerWaalsContact O-N 3.15Å; A474-V476 VanDerWaalsContact C-N 3.33Å; A474-V476 PolarHBondContact O-N 2.75Å; A474-G477 WeakPolarHBondContact O-CA 3.34Å; A474-G477 PolarHBondContact O-N 2.83Å; A474-F478 VanDerWaalsContact O-CD2 3.24Å; A474-F478 WeakPolarHBondContact O-CD2 3.38Å; A474-F478 PolarHBondContact O-N 3.03Å |
| 475 | G | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.2 | -43.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | F471 L472 G477 F478 M479 | F471-G475 PolarHBondContact O-N 3.44Å; L472-G475 PolarHBondContact O-N 3.44Å; G475-G477 VanDerWaalsContact C-N 3.32Å; G475-G477 PolarHBondContact O-N 2.96Å; G475-F478 PolarHBondContact O-N 3.3Å; G475-M479 WeakPolarHBondContact O-CG 3.39Å; G475-M479 PolarHBondContact O-N 3.26Å |
| 476 | V | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.4 | -41.5 | 172 | 170 | 0 | 0 | 0 | 0 | 112.2 | F115 L472 L473 A474 M479 F480 I798 A801 V802 | F115-V476 HydrophobicContact CE1-CG1 4.2Å; L472-V476 VanDerWaalsContact O-CG2 3.32Å; L472-V476 WeakPolarHBondContact O-CG2 3.39Å; L472-V476 PolarHBondContact O-N 3.35Å; L473-V476 PolarHBondContact O-N 2.97Å; A474-V476 VanDerWaalsContact C-N 3.33Å; A474-V476 PolarHBondContact O-N 2.75Å; V476-M479 HydrophobicContact CB-CE 4.29Å; V476-M479 HydrophobicContact CG2-CE 3.77Å; V476-M479 PolarHBondContact O-N 3.23Å; V476-F480 HydrophobicContact CG1-CD2 3.87Å; V476-F480 HydrophobicContact CG1-CE2 3.47Å; V476-F480 VanDerWaalsContact CG1-CE2 3.47Å; V476-F480 HydrophobicContact CG1-CZ 4.4Å; V476-F480 VanDerWaalsContact O-CD2 3.23Å; V476-F480 WeakPolarHBondContact O-CD2 3.19Å; V476-F480 PolarHBondContact O-N 3.44Å; V476-F480 VanDerWaalsContact O-N 3.1Å; V476-I798 HydrophobicContact CG1-CG1 4.36Å; V476-I798 HydrophobicContact CG1-CG2 3.98Å; V476-I798 HydrophobicContact CG2-CG1 4.45Å; V476-A801 HydrophobicContact CG2-CB 3.63Å; V476-V802 HydrophobicContact CG1-CG2 4.08Å; V476-V802 HydrophobicContact CG2-CG2 4.08Å |
| 477 | G | 93.7 | Very high | 94 | Very high | 11 Ų | 11 | 32.2 Ų | 32.2 | 11% | 0.113 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.9 | -47.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F116 L473 A474 G475 F480 L481 | F116-G477 VanDerWaalsContact CZ-CA 3.48Å; L473-G477 PolarHBondContact O-N 3.31Å; A474-G477 WeakPolarHBondContact O-CA 3.34Å; A474-G477 PolarHBondContact O-N 2.83Å; G475-G477 VanDerWaalsContact C-N 3.32Å; G475-G477 PolarHBondContact O-N 2.96Å; G477-F480 PolarHBondContact O-N 3.01Å; G477-L481 WeakPolarHBondContact O-CB 3.45Å; G477-L481 PolarHBondContact O-N 2.84Å |
| 478 | F | 95.4 | Very high | 94.1 | Very high | 70 Ų | 70 | 32.8 Ų | 32.8 | 31% | 0.307 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.2 | -36.6 | 176.5 | -75.5 | -61.8 | 0 | 0 | 0 | 112.9 | I439 I442 A474 G475 F480 L481 F482 | I439-F478 HydrophobicContact CD1-CB 4.18Å; I439-F478 HydrophobicContact CG1-CB 3.73Å; I442-F478 HydrophobicContact CD1-CD2 3.58Å; I442-F478 HydrophobicContact CD1-CE2 3.64Å; A474-F478 VanDerWaalsContact O-CD2 3.24Å; A474-F478 WeakPolarHBondContact O-CD2 3.38Å; A474-F478 PolarHBondContact O-N 3.03Å; G475-F478 PolarHBondContact O-N 3.3Å; F478-F480 VanDerWaalsContact C-N 3.32Å; F478-F480 PolarHBondContact O-N 3.35Å; F478-L481 HydrophobicContact CD1-CD2 4.24Å; F478-L481 PolarHBondContact O-N 2.9Å; F478-F482 HydrophobicContact CB-CD2 4.35Å; F478-F482 AromaticContact CD1-CD2 3.99Å; F478-F482 HydrophobicContact CD1-CD2 3.99Å; F478-F482 AromaticContact CD1-CE2 3.47Å; F478-F482 HydrophobicContact CD1-CE2 3.47Å; F478-F482 VanDerWaalsContact CD1-CE2 3.47Å; F478-F482 HydrophobicContact CE1-CE2 4.03Å; F478-F482 HydrophobicContact CG-CE2 4.45Å; F478-F482 PolarHBondContact O-N 3.48Å |
| 479 | M | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.4 | -45.4 | 172.8 | -76.6 | -171.6 | -80 | 0 | 0 | 111.3 | I439 L443 G475 V476 S483 F794 A797 I798 | I439-M479 HydrophobicContact CD1-CG 4.11Å; I439-M479 HydrophobicContact CG2-CG 3.54Å; I439-M479 HydrophobicContact CG2-SD 4.22Å; L443-M479 HydrophobicContact CD1-CE 4.13Å; L443-M479 HydrophobicContact CD2-CE 4.29Å; G475-M479 WeakPolarHBondContact O-CG 3.39Å; G475-M479 PolarHBondContact O-N 3.26Å; V476-M479 HydrophobicContact CB-CE 4.29Å; V476-M479 HydrophobicContact CG2-CE 3.77Å; V476-M479 PolarHBondContact O-N 3.23Å; M479-S483 WeakPolarHBondContact O-CB 3.36Å; M479-S483 PolarHBondContact O-N 2.91Å; M479-F794 HydrophobicContact CB-CD2 4.13Å; M479-F794 HydrophobicContact CB-CE2 4.36Å; M479-F794 HydrophobicContact CB-CG 4.4Å; M479-F794 HydrophobicContact CG-CD1 4.05Å; M479-F794 HydrophobicContact CG-CD2 4.13Å; M479-F794 HydrophobicContact CG-CE1 4.17Å; M479-F794 HydrophobicContact CG-CE2 4.19Å; M479-F794 HydrophobicContact CG-CG 4.08Å; M479-F794 HydrophobicContact CG-CZ 4.24Å; M479-F794 HydrophobicContact SD-CB 4.12Å; M479-F794 HydrophobicContact SD-CD1 3.72Å; M479-F794 HydrophobicContact SD-CE1 4.28Å; M479-F794 HydrophobicContact SD-CG 3.91Å; M479-A797 HydrophobicContact CE-CB 4.5Å; M479-A797 HydrophobicContact SD-CB 4.28Å; M479-I798 HydrophobicContact CB-CD1 4.16Å; M479-I798 HydrophobicContact CB-CG1 4.28Å; M479-I798 HydrophobicContact CE-CG1 3.58Å; M479-I798 HydrophobicContact SD-CD1 4.45Å; M479-I798 HydrophobicContact SD-CG1 3.86Å |
| 480 | F | 96 | Very high | 94.4 | Very high | 10 Ų | 10 | 34.2 Ų | 34.2 | 4% | 0.044 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.2 | -46.2 | 175.8 | -70.3 | -53.1 | 0 | 0 | 0 | 112.5 | M108 V111 F115 F116 V476 G477 F478 F482 S483 I798 | M108-F480 HydrophobicContact CE-CD1 4.27Å; M108-F480 HydrophobicContact CE-CE1 4.45Å; M108-F480 WeakPolarHBondContact O-CD1 3.37Å; M108-F480 HydrophobicContact SD-CD1 4.38Å; M108-F480 HydrophobicContact SD-CE1 4.23Å; V111-F480 HydrophobicContact CB-CE1 4.46Å; V111-F480 HydrophobicContact CG1-CE1 4.11Å; V111-F480 HydrophobicContact CG1-CZ 4.16Å; F115-F480 HydrophobicContact CB-CE2 4.48Å; F115-F480 HydrophobicContact CD1-CE2 4.05Å; F115-F480 HydrophobicContact CG-CE2 4.35Å; F116-F480 HydrophobicContact CE2-CD2 4.5Å; V476-F480 HydrophobicContact CG1-CD2 3.87Å; V476-F480 HydrophobicContact CG1-CE2 3.47Å; V476-F480 VanDerWaalsContact CG1-CE2 3.47Å; V476-F480 HydrophobicContact CG1-CZ 4.4Å; V476-F480 VanDerWaalsContact O-CD2 3.23Å; V476-F480 WeakPolarHBondContact O-CD2 3.19Å; V476-F480 PolarHBondContact O-N 3.44Å; V476-F480 VanDerWaalsContact O-N 3.1Å; G477-F480 PolarHBondContact O-N 3.01Å; F478-F480 VanDerWaalsContact C-N 3.32Å; F478-F480 PolarHBondContact O-N 3.35Å; F480-F482 PolarHBondContact O-N 3.04Å; F480-S483 PolarHBondContact O-N 3.33Å; F480-S483 PolarHBondContact O-OG 3.5Å; F480-I798 HydrophobicContact CD1-CD1 4.2Å; F480-I798 HydrophobicContact CE1-CD1 3.74Å; F480-I798 HydrophobicContact CE2-CG2 4.24Å; F480-I798 HydrophobicContact CZ-CD1 3.96Å; F480-I798 HydrophobicContact CZ-CG2 3.8Å |
| 481 | L | 93.8 | Very high | 94.6 | Very high | 111 Ų | 111 | 31.3 Ų | 31.3 | 58% | 0.581 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -59.5 | -45.3 | -175.4 | -178 | 64.9 | 0 | 0 | 0 | 112.8 | G477 F478 | G477-L481 WeakPolarHBondContact O-CB 3.45Å; G477-L481 PolarHBondContact O-N 2.84Å; F478-L481 HydrophobicContact CD1-CD2 4.24Å; F478-L481 PolarHBondContact O-N 2.9Å |
| 482 | F | 95.4 | Very high | 94.5 | Very high | 51 Ų | 51 | 33 Ų | 33 | 22% | 0.224 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -96.7 | -5.2 | -174.5 | -65.5 | -65 | 0 | 0 | 0 | 114.1 | I435 F478 F480 T484 I485 L486 | I435-F482 HydrophobicContact CD1-CD1 4.03Å; I435-F482 HydrophobicContact CD1-CE1 4.34Å; I435-F482 HydrophobicContact CD1-CG 4.37Å; I435-F482 HydrophobicContact CG2-CB 3.61Å; I435-F482 HydrophobicContact CG2-CD1 4.24Å; I435-F482 HydrophobicContact CG2-CD2 3.45Å; I435-F482 VanDerWaalsContact CG2-CD2 3.45Å; I435-F482 HydrophobicContact CG2-CE2 4.1Å; I435-F482 HydrophobicContact CG2-CG 3.52Å; F478-F482 HydrophobicContact CB-CD2 4.35Å; F478-F482 AromaticContact CD1-CD2 3.99Å; F478-F482 HydrophobicContact CD1-CD2 3.99Å; F478-F482 AromaticContact CD1-CE2 3.47Å; F478-F482 HydrophobicContact CD1-CE2 3.47Å; F478-F482 VanDerWaalsContact CD1-CE2 3.47Å; F478-F482 HydrophobicContact CE1-CE2 4.03Å; F478-F482 HydrophobicContact CG-CE2 4.45Å; F478-F482 PolarHBondContact O-N 3.48Å; F480-F482 PolarHBondContact O-N 3.04Å; F482-T484 VanDerWaalsContact C-N 3.31Å; F482-T484 PolarHBondContact O-N 2.94Å; F482-I485 HydrophobicContact CD1-CD1 4.41Å; F482-I485 PolarHBondContact O-N 3.4Å; F482-L486 HydrophobicContact CB-CD1 4.31Å; F482-L486 HydrophobicContact CB-CG 4.47Å; F482-L486 WeakPolarHBondContact O-CG 3.39Å; F482-L486 PolarHBondContact O-N 1.99Å |
| 483 | S | 94.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -52.6 | -44.1 | -179.1 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | M108 M479 F480 M487 | M108-S483 WeakPolarHBondContact CB-OG 3.49Å; M479-S483 WeakPolarHBondContact O-CB 3.36Å; M479-S483 PolarHBondContact O-N 2.91Å; F480-S483 PolarHBondContact O-N 3.33Å; F480-S483 PolarHBondContact O-OG 3.5Å; S483-M487 WeakPolarHBondContact O-CB 3.46Å; S483-M487 PolarHBondContact O-N 3.37Å |
| 484 | T | 94.8 | Very high | 94.5 | Very high | 55 Ų | 55 | 33.3 Ų | 33.3 | 34% | 0.337 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.9 | -45.9 | -179.1 | -51.6 | 0 | 0 | 0 | 0 | 111.8 | A105 P109 F482 M487 A488 | A105-T484 HydrophobicContact CB-CG2 4.27Å; A105-T484 PolarHBondContact O-OG1 2.9Å; P109-T484 WeakPolarHBondContact CG-OG1 3.45Å; F482-T484 VanDerWaalsContact C-N 3.31Å; F482-T484 PolarHBondContact O-N 2.94Å; T484-M487 PolarHBondContact O-N 3.06Å; T484-A488 WeakPolarHBondContact O-CB 3.26Å; T484-A488 PolarHBondContact O-N 3.27Å |
| 485 | I | 94.5 | Very high | 94.5 | Very high | 94 Ų | 94 | 34.2 Ų | 34.2 | 48% | 0.482 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.3 | -46.3 | -178.9 | -65.7 | 170.3 | 0 | 0 | 0 | 110.2 | L432 F482 M487 A488 S489 | L432-I485 HydrophobicContact CD2-CG2 3.73Å; F482-I485 HydrophobicContact CD1-CD1 4.41Å; F482-I485 PolarHBondContact O-N 3.4Å; I485-M487 PolarHBondContact O-N 2.79Å; I485-A488 PolarHBondContact O-N 3.48Å; I485-S489 PolarHBondContact O-N 2.82Å |
| 486 | L | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.8 | -40.6 | 178.8 | -65.1 | 175.3 | 0 | 0 | 0 | 111.7 | L432 I435 F482 S489 C490 L787 L791 F794 | L432-L486 HydrophobicContact CD2-CD2 4.43Å; L432-L486 WeakPolarHBondContact O-CD2 3.32Å; I435-L486 HydrophobicContact CB-CD2 4.49Å; I435-L486 HydrophobicContact CD1-CD2 4.47Å; I435-L486 HydrophobicContact CG2-CD1 4.2Å; F482-L486 HydrophobicContact CB-CD1 4.31Å; F482-L486 HydrophobicContact CB-CG 4.47Å; F482-L486 WeakPolarHBondContact O-CG 3.39Å; F482-L486 PolarHBondContact O-N 1.99Å; L486-S489 WeakPolarHBondContact O-CB 2.88Å; L486-S489 PolarHBondContact O-N 3.17Å; L486-C490 PolarHBondContact O-N 2.94Å; L486-C490 VanDerWaalsContact O-N 3.13Å; L486-L787 HydrophobicContact CD2-CD1 4.36Å; L486-L791 HydrophobicContact CB-CD1 4.05Å; L486-L791 HydrophobicContact CB-CD2 3.7Å; L486-L791 HydrophobicContact CB-CG 4.38Å; L486-L791 HydrophobicContact CD1-CD2 4.04Å; L486-F794 HydrophobicContact CD1-CE2 4.15Å; L486-F794 HydrophobicContact CD1-CZ 4.23Å |
| 487 | M | 95.9 | Very high | 94.3 | Very high | 22 Ų | 22 | 37.6 Ų | 37.6 | 11% | 0.108 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.4 | -38.3 | 177 | -174.8 | 56.3 | 73.7 | 0 | 0 | 112.1 | G101 F104 A105 S483 T484 I485 S489 C490 I491 L791 | G101-M487 WeakPolarHBondContact O-CG 3.41Å; F104-M487 HydrophobicContact CB-CE 4.02Å; F104-M487 HydrophobicContact CD1-CB 4.01Å; F104-M487 HydrophobicContact CD1-CE 3.24Å; F104-M487 HydrophobicContact CD1-CG 3.97Å; F104-M487 HydrophobicContact CD1-SD 4.44Å; F104-M487 HydrophobicContact CD2-CE 4.25Å; F104-M487 HydrophobicContact CE1-CB 4.34Å; F104-M487 HydrophobicContact CE1-CE 3.61Å; F104-M487 HydrophobicContact CG-CE 3.6Å; F104-M487 HydrophobicContact CZ-CE 4.25Å; A105-M487 HydrophobicContact CB-CB 4.21Å; A105-M487 HydrophobicContact CB-CG 4.06Å; S483-M487 WeakPolarHBondContact O-CB 3.46Å; S483-M487 PolarHBondContact O-N 3.37Å; T484-M487 PolarHBondContact O-N 3.06Å; I485-M487 PolarHBondContact O-N 2.79Å; M487-S489 VanDerWaalsContact C-N 3.29Å; M487-S489 PolarHBondContact O-N 3.49Å; M487-C490 WeakPolarHBondContact O-CB 3.01Å; M487-C490 PolarHBondContact O-N 2.75Å; M487-C490 HydrophobicContact SD-CB 4.32Å; M487-I491 HydrophobicContact CG-CD1 3.98Å; M487-I491 HydrophobicContact CG-CG1 4.41Å; M487-I491 WeakPolarHBondContact O-CG1 3.46Å; M487-I491 PolarHBondContact O-N 3.26Å; M487-I491 HydrophobicContact SD-CD1 4.47Å; M487-I491 HydrophobicContact SD-CG1 4.35Å; M487-L791 HydrophobicContact CB-CD1 4.12Å; M487-L791 HydrophobicContact CE-CB 4.01Å; M487-L791 HydrophobicContact CE-CD1 3.8Å; M487-L791 HydrophobicContact SD-CD1 4.21Å |
| 488 | A | 92.5 | Very high | 94.4 | Very high | 50 Ų | 50 | 37 Ų | 37 | 41% | 0.413 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.1 | -40.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T484 I485 C490 I491 V492 | T484-A488 WeakPolarHBondContact O-CB 3.26Å; T484-A488 PolarHBondContact O-N 3.27Å; I485-A488 PolarHBondContact O-N 3.48Å; A488-C490 PolarHBondContact O-N 2.7Å; A488-I491 PolarHBondContact O-N 2.89Å; A488-V492 PolarHBondContact O-N 3.11Å |
| 489 | S | 91.5 | Very high | 94.2 | Very high | 23 Ų | 23 | 36 Ų | 36 | 16% | 0.161 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.7 | -17 | 174 | -171.9 | 0 | 0 | 0 | 0 | 114.1 | I485 L486 M487 P493 | I485-S489 PolarHBondContact O-N 2.82Å; L486-S489 WeakPolarHBondContact O-CB 2.88Å; L486-S489 PolarHBondContact O-N 3.17Å; M487-S489 VanDerWaalsContact C-N 3.29Å; M487-S489 PolarHBondContact O-N 3.49Å; S489-P493 WeakPolarHBondContact O-CD 3.46Å; S489-P493 VanDerWaalsContact O-CG 3.26Å; S489-P493 WeakPolarHBondContact O-CG 3.23Å |
| 490 | C | 94.8 | Very high | 94 | Very high | 7 Ų | 7 | 37.5 Ų | 37.5 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -83.4 | -46.1 | 168.6 | -78.2 | 0 | 0 | 0 | 0 | 111.7 | L486 M487 A488 V492 F494 L787 G788 | L486-C490 PolarHBondContact O-N 2.94Å; L486-C490 VanDerWaalsContact O-N 3.13Å; M487-C490 WeakPolarHBondContact O-CB 3.01Å; M487-C490 PolarHBondContact O-N 2.75Å; M487-C490 HydrophobicContact SD-CB 4.32Å; A488-C490 PolarHBondContact O-N 2.7Å; C490-V492 PolarHBondContact O-N 3.31Å; C490-F494 WeakPolarHBondContact O-CB 3.38Å; C490-F494 PolarHBondContact O-N 2.83Å; C490-L787 VanDerWaalsContact SG-CB 3.59Å; C490-L787 VanDerWaalsContact SG-CD2 3.55Å; C490-L787 WeakPolarHBondContact SG-CG 3.31Å; C490-G788 PolarHBondContact SG-N 2.86Å |
| 491 | I | 95.8 | Very high | 93.9 | Very high | 22 Ų | 22 | 37.1 Ų | 37.1 | 11% | 0.113 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.9 | -44.5 | -171.4 | -70.2 | 168.1 | 0 | 0 | 0 | 111.6 | L98 L102 M487 A488 F494 L495 | L98-I491 HydrophobicContact CD1-CG2 3.62Å; L102-I491 HydrophobicContact CD2-CD1 4.35Å; M487-I491 HydrophobicContact CG-CD1 3.98Å; M487-I491 HydrophobicContact CG-CG1 4.41Å; M487-I491 WeakPolarHBondContact O-CG1 3.46Å; M487-I491 PolarHBondContact O-N 3.26Å; M487-I491 HydrophobicContact SD-CD1 4.47Å; M487-I491 HydrophobicContact SD-CG1 4.35Å; A488-I491 PolarHBondContact O-N 2.89Å; I491-F494 PolarHBondContact O-N 2.69Å; I491-L495 HydrophobicContact CG2-CD1 3.9Å; I491-L495 HydrophobicContact CG2-CG 4.27Å; I491-L495 WeakPolarHBondContact O-CG 3.5Å; I491-L495 PolarHBondContact O-N 3.31Å |
| 492 | V | 91.7 | Very high | 93.7 | Very high | 103 Ų | 103 | 31.8 Ų | 31.8 | 62% | 0.624 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -65.2 | -53.2 | -175.3 | 174 | 0 | 0 | 0 | 0 | 111.5 | A488 C490 F494 L495 F496 | A488-V492 PolarHBondContact O-N 3.11Å; C490-V492 PolarHBondContact O-N 3.31Å; V492-F494 VanDerWaalsContact C-N 3.32Å; V492-F494 PolarHBondContact O-N 3.46Å; V492-L495 PolarHBondContact O-N 2.75Å; V492-F496 PolarHBondContact O-N 2.84Å; V492-F496 VanDerWaalsContact O-N 3.14Å |
| 493 | P | 92.5 | Very high | 93.3 | Very high | 16 Ų | 16 | 31.1 Ų | 31.1 | 10% | 0.104 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.6 | -36.1 | 172.8 | -26.4 | 37.9 | 0 | 0 | 0 | 113.7 | S489 F496 G497 F780 W784 | S489-P493 WeakPolarHBondContact O-CD 3.46Å; S489-P493 VanDerWaalsContact O-CG 3.26Å; S489-P493 WeakPolarHBondContact O-CG 3.23Å; P493-F496 PolarHBondContact O-N 3.38Å; P493-G497 WeakPolarHBondContact O-CA 3.32Å; P493-G497 PolarHBondContact O-N 3.02Å; P493-F780 HydrophobicContact CB-CE1 3.7Å; P493-F780 HydrophobicContact CB-CE2 4.32Å; P493-F780 HydrophobicContact CB-CZ 3.58Å; P493-F780 HydrophobicContact CG-CZ 4.24Å; P493-F780 WeakPolarHBondContact O-CE1 3.44Å; P493-W784 HydrophobicContact CB-CB 4Å; P493-W784 HydrophobicContact CB-CG 4.06Å |
| 494 | F | 96.2 | Very high | 93 | Very high | 12 Ų | 12 | 32.2 Ų | 32.2 | 5% | 0.053 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60 | -48.5 | 177 | 165.1 | -111.3 | 0 | 0 | 0 | 112.3 | F51 L52 I55 Y94 C97 C490 I491 V492 G498 W784 | F51-F494 AromaticContact CE1-CE2 3.91Å; F51-F494 HydrophobicContact CE1-CE2 3.91Å; L52-F494 HydrophobicContact CD2-CD2 4.39Å; L52-F494 HydrophobicContact CD2-CE2 4.06Å; I55-F494 HydrophobicContact CD1-CE2 3.54Å; I55-F494 HydrophobicContact CD1-CZ 3.55Å; Y94-F494 AromaticContact CD1-CE1 3.76Å; Y94-F494 HydrophobicContact CD1-CE1 3.76Å; Y94-F494 HydrophobicContact CD1-CE2 4.04Å; Y94-F494 AromaticContact CD1-CZ 3.39Å; Y94-F494 HydrophobicContact CD1-CZ 3.39Å; Y94-F494 HydrophobicContact CE1-CE1 4.3Å; Y94-F494 AromaticContact CE1-CE2 3.84Å; Y94-F494 HydrophobicContact CE1-CE2 3.84Å; Y94-F494 AromaticContact CE1-CZ 3.69Å; Y94-F494 HydrophobicContact CE1-CZ 3.69Å; Y94-F494 HydrophobicContact CG-CZ 4.36Å; C97-F494 HydrophobicContact CB-CE1 3.77Å; C97-F494 HydrophobicContact CB-CZ 3.66Å; C490-F494 WeakPolarHBondContact O-CB 3.38Å; C490-F494 PolarHBondContact O-N 2.83Å; I491-F494 PolarHBondContact O-N 2.69Å; V492-F494 VanDerWaalsContact C-N 3.32Å; V492-F494 PolarHBondContact O-N 3.46Å; F494-G498 WeakPolarHBondContact O-CA 3.39Å; F494-G498 PolarHBondContact O-N 3.42Å; F494-W784 HydrophobicContact CB-CD2 3.91Å; F494-W784 HydrophobicContact CB-CE3 4Å; F494-W784 HydrophobicContact CB-CG 4.39Å; F494-W784 HydrophobicContact CB-CZ3 4.41Å; F494-W784 HydrophobicContact CD2-CD2 4.38Å; F494-W784 HydrophobicContact CD2-CE3 4.05Å; F494-W784 AromaticContact CD2-CH2 3.45Å; F494-W784 HydrophobicContact CD2-CH2 3.45Å; F494-W784 VanDerWaalsContact CD2-CH2 3.45Å; F494-W784 AromaticContact CD2-CZ2 3.73Å; F494-W784 HydrophobicContact CD2-CZ2 3.73Å; F494-W784 AromaticContact CD2-CZ3 3.59Å; F494-W784 HydrophobicContact CD2-CZ3 3.59Å; F494-W784 HydrophobicContact CE2-CH2 4.02Å; F494-W784 HydrophobicContact CE2-CZ3 4.31Å; F494-W784 HydrophobicContact CG-CE3 4.44Å; F494-W784 HydrophobicContact CG-CZ3 4.37Å |
| 495 | L | 94.3 | Very high | 93 | Very high | 61 Ų | 61 | 29.7 Ų | 29.7 | 32% | 0.319 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -66.6 | -43 | -179.8 | -69.6 | 177.1 | 0 | 0 | 0 | 111.2 | L98 I491 V492 T499 | L98-L495 HydrophobicContact CD1-CD1 4.05Å; I491-L495 HydrophobicContact CG2-CD1 3.9Å; I491-L495 HydrophobicContact CG2-CG 4.27Å; I491-L495 WeakPolarHBondContact O-CG 3.5Å; I491-L495 PolarHBondContact O-N 3.31Å; V492-L495 PolarHBondContact O-N 2.75Å; L495-T499 WeakPolarHBondContact O-CB 3.45Å; L495-T499 WeakPolarHBondContact O-CG2 3.45Å; L495-T499 PolarHBondContact O-N 3.16Å; L495-T499 PolarHBondContact O-OG1 3.37Å |
| 496 | F | 93 | Very high | 92.9 | Very high | 71 Ų | 71 | 25.6 Ų | 25.6 | 31% | 0.311 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -72.4 | -60.6 | -179 | -179.4 | -104.7 | 0 | 0 | 0 | 112.4 | L12 V492 P493 T499 L500 F780 | L12-F496 HydrophobicContact CD2-CE2 4.04Å; L12-F496 HydrophobicContact CD2-CZ 4.47Å; V492-F496 PolarHBondContact O-N 2.84Å; V492-F496 VanDerWaalsContact O-N 3.14Å; P493-F496 PolarHBondContact O-N 3.38Å; F496-T499 PolarHBondContact O-OG1 2.64Å; F496-L500 HydrophobicContact CD1-CD1 4.21Å; F496-L500 HydrophobicContact CD2-CD1 4.3Å; F496-L500 HydrophobicContact CE1-CD1 3.71Å; F496-L500 HydrophobicContact CE2-CD1 3.81Å; F496-L500 HydrophobicContact CG-CD1 4.49Å; F496-L500 HydrophobicContact CZ-CD1 3.49Å; F496-L500 VanDerWaalsContact CZ-CD1 3.49Å; F496-L500 WeakPolarHBondContact O-CG 3.44Å; F496-L500 PolarHBondContact O-N 3.06Å; F496-F780 AromaticContact CD1-CE1 3.98Å; F496-F780 HydrophobicContact CD1-CE1 3.98Å; F496-F780 HydrophobicContact CD1-CZ 4.07Å |
| 497 | G | 93.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.8 | -35.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P493 Q501 N781 | P493-G497 WeakPolarHBondContact O-CA 3.32Å; P493-G497 PolarHBondContact O-N 3.02Å; G497-Q501 WeakPolarHBondContact O-CB 3.24Å; G497-Q501 PolarHBondContact O-N 3.43Å; G497-N781 VanDerWaalsContact CA-OD1 3.29Å; G497-N781 WeakPolarHBondContact CA-OD1 3.41Å; G497-N781 PolarHBondContact O-ND2 3.03Å; G497-N781 PolarHBondContact O-OD1 3.4Å |
| 498 | G | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.1 | -51.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L52 Y94 F494 L500 Q501 T502 N781 | L52-G498 VanDerWaalsContact CD2-CA 3.5Å; Y94-G498 WeakPolarHBondContact OH-CA 3.28Å; Y94-G498 PolarHBondContact OH-O 3Å; F494-G498 WeakPolarHBondContact O-CA 3.39Å; F494-G498 PolarHBondContact O-N 3.42Å; G498-L500 PolarHBondContact O-N 2.81Å; G498-Q501 WeakPolarHBondContact O-CB 3.18Å; G498-Q501 PolarHBondContact O-N 3.19Å; G498-Q501 VanDerWaalsContact O-N 3.1Å; G498-T502 PolarHBondContact O-N 3.3Å; G498-T502 PolarHBondContact O-OG1 3.01Å; G498-N781 PolarHBondContact N-OD1 3.43Å |
| 499 | T | 91.1 | Very high | 92.4 | Very high | 49 Ų | 49 | 26 Ų | 26 | 30% | 0.301 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -64 | -42.2 | -177.7 | 56.7 | 0 | 0 | 0 | 0 | 112.2 | Y94 L495 F496 Q501 T502 E503 | Y94-T499 HydrophobicContact CD1-CG2 4.44Å; Y94-T499 HydrophobicContact CE1-CG2 4.12Å; Y94-T499 PolarHBondContact OH-N 2.66Å; L495-T499 WeakPolarHBondContact O-CB 3.45Å; L495-T499 WeakPolarHBondContact O-CG2 3.45Å; L495-T499 PolarHBondContact O-N 3.16Å; L495-T499 PolarHBondContact O-OG1 3.37Å; F496-T499 PolarHBondContact O-OG1 2.64Å; T499-Q501 VanDerWaalsContact C-N 3.28Å; T499-Q501 PolarHBondContact O-N 3.41Å; T499-T502 PolarHBondContact O-N 2.76Å; T499-E503 WeakPolarHBondContact O-CB 3.48Å; T499-E503 WeakPolarHBondContact O-CG 2.9Å; T499-E503 PolarHBondContact O-N 2.96Å |
| 500 | L | 91.5 | Very high | 92 | Very high | 31 Ų | 31 | 27.3 Ų | 27.3 | 16% | 0.162 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.4 | -41.4 | 172.7 | -74.9 | 173.5 | 0 | 0 | 0 | 111.7 | L12 F496 G498 T502 V504 C505 L777 | L12-L500 HydrophobicContact CD1-CD2 4.01Å; F496-L500 HydrophobicContact CD1-CD1 4.21Å; F496-L500 HydrophobicContact CD2-CD1 4.3Å; F496-L500 HydrophobicContact CE1-CD1 3.71Å; F496-L500 HydrophobicContact CE2-CD1 3.81Å; F496-L500 HydrophobicContact CG-CD1 4.49Å; F496-L500 HydrophobicContact CZ-CD1 3.49Å; F496-L500 VanDerWaalsContact CZ-CD1 3.49Å; F496-L500 WeakPolarHBondContact O-CG 3.44Å; F496-L500 PolarHBondContact O-N 3.06Å; G498-L500 PolarHBondContact O-N 2.81Å; L500-T502 PolarHBondContact O-N 3.12Å; L500-V504 HydrophobicContact CD2-CG2 4.47Å; L500-V504 WeakPolarHBondContact O-CB 2.96Å; L500-V504 PolarHBondContact O-N 3.12Å; L500-V504 VanDerWaalsContact O-N 3.11Å; L500-C505 PolarHBondContact O-N 3.22Å; L500-C505 VanDerWaalsContact O-N 3.11Å; L500-L777 HydrophobicContact CB-CD1 3.82Å; L500-L777 HydrophobicContact CB-CD2 4.27Å; L500-L777 HydrophobicContact CD1-CD2 4.29Å |
| 501 | Q | 93.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -65.4 | -39.4 | 179.7 | -169.4 | 65.7 | 0.3 | 0 | 0 | 112.7 | N49 L52 G497 G498 T499 R506 R511 | N49-Q501 PolarHBondContact OD1-NE2 2.93Å; L52-Q501 HydrophobicContact CD1-CB 3.89Å; L52-Q501 HydrophobicContact CD1-CG 3.81Å; G497-Q501 WeakPolarHBondContact O-CB 3.24Å; G497-Q501 PolarHBondContact O-N 3.43Å; G498-Q501 WeakPolarHBondContact O-CB 3.18Å; G498-Q501 PolarHBondContact O-N 3.19Å; G498-Q501 VanDerWaalsContact O-N 3.1Å; T499-Q501 VanDerWaalsContact C-N 3.28Å; T499-Q501 PolarHBondContact O-N 3.41Å; Q501-R506 WeakPolarHBondContact O-CB 3.45Å; Q501-R506 PolarHBondContact O-N 3.44Å; Q501-R511 VanDerWaalsContact NE2-CZ 3.28Å; Q501-R511 PolarHBondContact O-NH2 3.25Å |
| 502 | T | 91.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -88 | -33.4 | -175.9 | 63.3 | 0 | 0 | 0 | 0 | 114.4 | L52 R56 Y94 G498 T499 L500 R506 | L52-T502 HydrophobicContact CB-CG2 3.74Å; R56-T502 HydrophobicContact CB-CG2 3.92Å; R56-T502 HydrophobicContact CG-CG2 4.35Å; Y94-T502 HydrophobicContact CE2-CG2 4.45Å; Y94-T502 WeakPolarHBondContact OH-CG2 3.41Å; Y94-T502 PolarHBondContact OH-OG1 3.06Å; Y94-T502 VanDerWaalsContact OH-OG1 3.1Å; G498-T502 PolarHBondContact O-N 3.3Å; G498-T502 PolarHBondContact O-OG1 3.01Å; T499-T502 PolarHBondContact O-N 2.76Å; L500-T502 PolarHBondContact O-N 3.12Å; T502-R506 PolarHBondContact O-NE 3.2Å; T502-R506 VanDerWaalsContact O-NE 3.15Å |
| 503 | E | 86.7 | Confident | 91.1 | Very high | 37 Ų | 37 | 31.3 Ų | 31.3 | 17% | 0.173 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -90.3 | -27 | -176.8 | -59.1 | -42.4 | 98 | 0 | 0 | 113.5 | R56 Y91 T499 Y507 | R56-E503 WeakPolarHBondContact CD-OE1 3.44Å; R56-E503 IonicContact CZ-OE1 2.9Å; R56-E503 IonicContact CZ-OE2 2.68Å; R56-E503 VanDerWaalsContact NE-CD 3.33Å; R56-E503 IonicContact NE-OE1 3.45Å; R56-E503 PolarHBondContact NE-OE1 2.94Å; R56-E503 IonicContact NE-OE2 3.44Å; R56-E503 PolarHBondContact NE-OE2 3.05Å; R56-E503 IonicContact NH2-OE1 3.91Å; R56-E503 IonicContact NH2-OE2 3.75Å; R56-E503 PolarHBondContact NH2-OE2 3.37Å; Y91-E503 HydrophobicContact CE1-CG 4.32Å; Y91-E503 PolarHBondContact OH-OE2 3.34Å; T499-E503 WeakPolarHBondContact O-CB 3.48Å; T499-E503 WeakPolarHBondContact O-CG 2.9Å; T499-E503 PolarHBondContact O-N 2.96Å; E503-Y507 VanDerWaalsContact O-CD2 3.28Å; E503-Y507 WeakPolarHBondContact O-CD2 3.37Å |
| 504 | V | 89.1 | Confident | 90.8 | Very high | 23 Ų | 23 | 35.9 Ų | 35.9 | 14% | 0.139 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -116.4 | -66.9 | -176 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | V9 L500 R506 Y507 L508 | V9-V504 HydrophobicContact CG1-CG1 4.39Å; V9-V504 HydrophobicContact CG2-CG2 4.19Å; L500-V504 HydrophobicContact CD2-CG2 4.47Å; L500-V504 WeakPolarHBondContact O-CB 2.96Å; L500-V504 PolarHBondContact O-N 3.12Å; L500-V504 VanDerWaalsContact O-N 3.11Å; V504-R506 VanDerWaalsContact C-N 3.33Å; V504-R506 PolarHBondContact O-N 3.32Å; V504-Y507 PolarHBondContact O-N 2.86Å; V504-L508 HydrophobicContact CG1-CD1 3.67Å; V504-L508 HydrophobicContact CG1-CG 4.35Å; V504-L508 PolarHBondContact O-N 3.42Å; V504-L508 VanDerWaalsContact O-N 3.13Å |
| 505 | C | 94.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -65.2 | -34.8 | -168.5 | -70.8 | 0 | 0 | 0 | 0 | 113.8 | L500 Y507 L508 T509 C773 L777 | L500-C505 PolarHBondContact O-N 3.22Å; L500-C505 VanDerWaalsContact O-N 3.11Å; C505-Y507 PolarHBondContact O-N 3.37Å; C505-L508 PolarHBondContact O-N 3.45Å; C505-T509 WeakPolarHBondContact O-CB 3.16Å; C505-T509 WeakPolarHBondContact O-CG2 3.48Å; C505-T509 PolarHBondContact O-N 3.1Å; C505-T509 PolarHBondContact O-OG1 3.37Å; C505-C773 WeakPolarHBondContact CA-SG 3.23Å; C505-C773 HydrophobicContact CB-CB 3.5Å; C505-C773 WeakPolarHBondContact CB-SG 3.05Å; C505-C773 WeakPolarHBondContact SG-CA 3.5Å; C505-C773 WeakPolarHBondContact SG-CB 3.27Å; C505-C773 CovalentContact SG-SG 2.03Å; C505-C773 PolarHBondContact SG-SG 3.43Å; C505-L777 WeakPolarHBondContact SG-CD1 3.16Å |
| 506 | R | 91.5 | Very high | 90.4 | Very high | 9 Ų | 9 | 32.9 Ų | 32.9 | 3% | 0.034 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.4 | -35 | 175.3 | -170.8 | 176.8 | 67.8 | 167.7 | -1.5 | 113 | D53 G57 Q501 T502 V504 R511 Y512 | D53-R506 WeakPolarHBondContact OD1-CD 3.35Å; D53-R506 IonicContact OD1-NH1 3.03Å; G57-R506 PolarHBondContact O-NH1 2.89Å; Q501-R506 WeakPolarHBondContact O-CB 3.45Å; Q501-R506 PolarHBondContact O-N 3.44Å; T502-R506 PolarHBondContact O-NE 3.2Å; T502-R506 VanDerWaalsContact O-NE 3.15Å; V504-R506 VanDerWaalsContact C-N 3.33Å; V504-R506 PolarHBondContact O-N 3.32Å; R506-R511 HydrophobicContact CG-CB 4.1Å; R506-R511 PolarHBondContact O-N 3.07Å; R506-Y512 PolarHBondContact O-N 3.39Å |
| 507 | Y | 91.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -81.3 | -45 | 177.3 | -65.6 | -79.5 | 0 | 0 | 0 | 111.5 | E503 V504 C505 G510 Y512 G515 P516 K518 M519 Y522 | E503-Y507 VanDerWaalsContact O-CD2 3.28Å; E503-Y507 WeakPolarHBondContact O-CD2 3.37Å; V504-Y507 PolarHBondContact O-N 2.86Å; C505-Y507 PolarHBondContact O-N 3.37Å; Y507-G510 PolarHBondContact O-N 2.98Å; Y507-Y512 HydrophobicContact CD1-CD1 4.07Å; Y507-Y512 HydrophobicContact CD1-CG 4.03Å; Y507-Y512 AromaticContact CE1-CD1 3.71Å; Y507-Y512 HydrophobicContact CE1-CD1 3.71Å; Y507-Y512 HydrophobicContact CE1-CD2 4.16Å; Y507-Y512 HydrophobicContact CE1-CE1 4.16Å; Y507-Y512 AromaticContact CE1-CG 3.72Å; Y507-Y512 HydrophobicContact CE1-CG 3.72Å; Y507-G515 WeakPolarHBondContact CD1-O 3.47Å; Y507-G515 CarbonylContact O-C 3.43Å; Y507-G515 WeakPolarHBondContact O-CA 2.68Å; Y507-P516 WeakPolarHBondContact O-CD 3.4Å; Y507-K518 HydrophobicContact CD1-CB 4.35Å; Y507-K518 HydrophobicContact CE1-CB 4.35Å; Y507-M519 HydrophobicContact CD1-CB 4.49Å; Y507-M519 HydrophobicContact CG-CB 4.22Å; Y507-Y522 HydrophobicContact CE1-CD2 4.46Å; Y507-Y522 AromaticContact CE1-CE2 3.76Å; Y507-Y522 HydrophobicContact CE1-CE2 3.76Å; Y507-Y522 AromaticContact CZ-CE2 3.93Å |
| 508 | L | 92.4 | Very high | 90 | Very high | 31 Ų | 31 | 38 Ų | 38 | 16% | 0.162 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -72.3 | -33 | -175.1 | -62.1 | -178.7 | 0 | 0 | 0 | 114 | V504 C505 G510 M519 L573 V769 | V504-L508 HydrophobicContact CG1-CD1 3.67Å; V504-L508 HydrophobicContact CG1-CG 4.35Å; V504-L508 PolarHBondContact O-N 3.42Å; V504-L508 VanDerWaalsContact O-N 3.13Å; C505-L508 PolarHBondContact O-N 3.45Å; L508-G510 VanDerWaalsContact C-N 3.29Å; L508-G510 PolarHBondContact O-N 2.87Å; L508-M519 HydrophobicContact CD2-CE 4.38Å; L508-M519 HydrophobicContact CD2-SD 3.58Å; L508-M519 VanDerWaalsContact CD2-SD 3.58Å; L508-M519 HydrophobicContact CG-SD 3.95Å; L508-L573 HydrophobicContact CB-CD1 4.43Å; L508-L573 HydrophobicContact CD2-CD1 3.84Å; L508-V769 HydrophobicContact CB-CG1 3.64Å; L508-V769 HydrophobicContact CB-CG2 4.15Å; L508-V769 HydrophobicContact CD1-CG2 4.19Å |
| 509 | T | 89.8 | Confident | 89.6 | Confident | 48 Ų | 48 | 39.6 Ų | 39.6 | 29% | 0.294 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 6.1 | -179.6 | 72.6 | 0 | 0 | 0 | 0 | 113.2 | C505 R511 V769 C773 | C505-T509 WeakPolarHBondContact O-CB 3.16Å; C505-T509 WeakPolarHBondContact O-CG2 3.48Å; C505-T509 PolarHBondContact O-N 3.1Å; C505-T509 PolarHBondContact O-OG1 3.37Å; T509-R511 VanDerWaalsContact C-N 3.29Å; T509-R511 PolarHBondContact O-N 3.15Å; T509-R511 PolarHBondContact OG1-NH1 2.96Å; T509-V769 HydrophobicContact CG2-CG1 3.87Å; T509-C773 HydrophobicContact CG2-CB 3.54Å |
| 510 | G | 84.3 | Confident | 89.3 | Confident | 50 Ų | 50 | 37.8 Ų | 37.8 | 52% | 0.515 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 13.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y507 L508 Y512 | Y507-G510 PolarHBondContact O-N 2.98Å; L508-G510 VanDerWaalsContact C-N 3.29Å; L508-G510 PolarHBondContact O-N 2.87Å; G510-Y512 VanDerWaalsContact C-N 3.25Å; G510-Y512 PolarHBondContact O-N 3.12Å |
| 511 | R | 87.2 | Confident | 89.1 | Confident | 83 Ų | 83 | 39.4 Ų | 39.4 | 31% | 0.313 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -67.7 | -29.7 | 172.6 | -71.7 | -158.4 | -50.5 | -85.1 | 0.2 | 112 | Q501 R506 T509 | Q501-R511 VanDerWaalsContact NE2-CZ 3.28Å; Q501-R511 PolarHBondContact O-NH2 3.25Å; R506-R511 HydrophobicContact CG-CB 4.1Å; R506-R511 PolarHBondContact O-N 3.07Å; T509-R511 VanDerWaalsContact C-N 3.29Å; T509-R511 PolarHBondContact O-N 3.15Å; T509-R511 PolarHBondContact OG1-NH1 2.96Å |
| 512 | Y | 87.5 | Confident | 88.5 | Confident | 39 Ų | 39 | 41 Ų | 41 | 15% | 0.153 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -88.9 | 132.6 | 167 | -154.9 | -92.5 | 0 | 0 | 0 | 109.7 | K58 R506 Y507 G510 D514 G515 K518 | K58-Y512 PolarHBondContact O-OH 3.3Å; R506-Y512 PolarHBondContact O-N 3.39Å; Y507-Y512 HydrophobicContact CD1-CD1 4.07Å; Y507-Y512 HydrophobicContact CD1-CG 4.03Å; Y507-Y512 AromaticContact CE1-CD1 3.71Å; Y507-Y512 HydrophobicContact CE1-CD1 3.71Å; Y507-Y512 HydrophobicContact CE1-CD2 4.16Å; Y507-Y512 HydrophobicContact CE1-CE1 4.16Å; Y507-Y512 AromaticContact CE1-CG 3.72Å; Y507-Y512 HydrophobicContact CE1-CG 3.72Å; G510-Y512 VanDerWaalsContact C-N 3.25Å; G510-Y512 PolarHBondContact O-N 3.12Å; Y512-D514 PolarHBondContact O-N 3.46Å; Y512-G515 VanDerWaalsContact O-CA 3.3Å; Y512-G515 WeakPolarHBondContact O-CA 3.31Å; Y512-G515 PolarHBondContact O-N 3.33Å; Y512-K518 HydrophobicContact CE1-CG 4.34Å |
| 513 | P | 86.7 | Confident | 88 | Confident | 94 Ų | 94 | 42.4 Ų | 42.4 | 61% | 0.61 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 133.7 | 176.3 | 26.4 | -34.5 | 0 | 0 | 0 | 110.4 | G515 | P513-G515 PolarHBondContact O-N 3.04Š|
| 514 | D | 87.7 | Confident | 87.9 | Confident | 112 Ų | 112 | 42.7 Ų | 42.7 | 60% | 0.599 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 33.9 | -171.8 | -50.8 | -38.8 | 0 | 0 | 0 | 112.7 | Y512 R517 K518 | Y512-D514 PolarHBondContact O-N 3.46Å; D514-R517 HydrophobicContact CB-CB 4.38Å; D514-R517 WeakPolarHBondContact O-CB 3.46Å; D514-R517 PolarHBondContact O-N 3.5Å; D514-K518 HydrophobicContact CB-CG 4.37Å; D514-K518 WeakPolarHBondContact O-CG 3.4Å; D514-K518 PolarHBondContact O-N 2.93Å |
| 515 | G | 89.6 | Confident | 87.5 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -50.9 | -57.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y507 Y512 P513 R517 K518 M519 | Y507-G515 WeakPolarHBondContact CD1-O 3.47Å; Y507-G515 CarbonylContact O-C 3.43Å; Y507-G515 WeakPolarHBondContact O-CA 2.68Å; Y512-G515 VanDerWaalsContact O-CA 3.3Å; Y512-G515 WeakPolarHBondContact O-CA 3.31Å; Y512-G515 PolarHBondContact O-N 3.33Å; P513-G515 PolarHBondContact O-N 3.04Å; G515-R517 VanDerWaalsContact C-N 3.34Å; G515-R517 PolarHBondContact O-N 3.46Å; G515-K518 PolarHBondContact O-N 2.59Å; G515-M519 PolarHBondContact O-N 3.32Å |
| 516 | P | 91.6 | Very high | 86.6 | Confident | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.5 | -43.2 | -178.9 | -26 | 36.9 | 0 | 0 | 0 | 112.3 | Y507 K518 M519 D520 L573 | Y507-P516 WeakPolarHBondContact O-CD 3.4Å; P516-K518 PolarHBondContact O-N 3.38Å; P516-M519 WeakPolarHBondContact O-CB 3.47Å; P516-M519 PolarHBondContact O-N 2.93Å; P516-D520 PolarHBondContact O-N 3.1Å; P516-L573 HydrophobicContact CB-CB 4.48Å; P516-L573 HydrophobicContact CB-CD1 4.47Å; P516-L573 HydrophobicContact CG-CB 4.19Å; P516-L573 HydrophobicContact CG-CD1 4.31Å |
| 517 | R | 89.8 | Confident | 85.8 | Confident | 108 Ų | 108 | 46 Ų | 46 | 41% | 0.408 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 174.8 | -168.6 | -177.6 | 175.3 | 104.6 | -5.7 | 113.1 | D514 G515 M519 D520 Q521 D570 | D514-R517 HydrophobicContact CB-CB 4.38Å; D514-R517 WeakPolarHBondContact O-CB 3.46Å; D514-R517 PolarHBondContact O-N 3.5Å; G515-R517 VanDerWaalsContact C-N 3.34Å; G515-R517 PolarHBondContact O-N 3.46Å; R517-M519 VanDerWaalsContact C-N 3.32Å; R517-D520 PolarHBondContact O-N 3.06Å; R517-Q521 VanDerWaalsContact O-CG 3.31Å; R517-Q521 WeakPolarHBondContact O-CG 3.23Å; R517-Q521 PolarHBondContact O-N 2.8Å; R517-D570 HydrophobicContact CB-CB 3.95Å; R517-D570 HydrophobicContact CG-CB 4.39Å; R517-D570 IonicContact NH1-OD2 2.83Å; R517-D570 PolarHBondContact NH1-OD2 2.84Å |
| 518 | K | 88 | Confident | 85.3 | Confident | 71 Ų | 71 | 48.8 Ų | 48.8 | 31% | 0.309 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.3 | -40.7 | 178.3 | -72.3 | -68.5 | 176.4 | -167 | 0 | 111 | Y507 Y512 D514 G515 P516 Q521 Y522 | Y507-K518 HydrophobicContact CD1-CB 4.35Å; Y507-K518 HydrophobicContact CE1-CB 4.35Å; Y512-K518 HydrophobicContact CE1-CG 4.34Å; D514-K518 HydrophobicContact CB-CG 4.37Å; D514-K518 WeakPolarHBondContact O-CG 3.4Å; D514-K518 PolarHBondContact O-N 2.93Å; G515-K518 PolarHBondContact O-N 2.59Å; P516-K518 PolarHBondContact O-N 3.38Å; K518-Q521 PolarHBondContact O-N 2.81Å; K518-Y522 HydrophobicContact CB-CE2 3.93Å; K518-Y522 WeakPolarHBondContact O-CB 3.34Å; K518-Y522 WeakPolarHBondContact O-CD1 3.45Å; K518-Y522 WeakPolarHBondContact O-CD2 3.45Å; K518-Y522 PolarHBondContact O-N 3.48Å |
| 519 | M | 86.2 | Confident | 84.4 | Confident | 32 Ų | 32 | 48.7 Ų | 48.7 | 16% | 0.158 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.9 | -48.2 | 175.3 | -179.2 | 171.7 | 174.7 | 0 | 0 | 111.5 | Y507 L508 G515 P516 R517 Q521 Y522 V523 | Y507-M519 HydrophobicContact CD1-CB 4.49Å; Y507-M519 HydrophobicContact CG-CB 4.22Å; L508-M519 HydrophobicContact CD2-CE 4.38Å; L508-M519 HydrophobicContact CD2-SD 3.58Å; L508-M519 VanDerWaalsContact CD2-SD 3.58Å; L508-M519 HydrophobicContact CG-SD 3.95Å; G515-M519 PolarHBondContact O-N 3.32Å; P516-M519 WeakPolarHBondContact O-CB 3.47Å; P516-M519 PolarHBondContact O-N 2.93Å; R517-M519 VanDerWaalsContact C-N 3.32Å; M519-Q521 VanDerWaalsContact C-N 3.34Å; M519-Q521 PolarHBondContact O-N 3.48Å; M519-Y522 PolarHBondContact O-N 3.24Å; M519-Y522 VanDerWaalsContact O-N 3.11Å; M519-V523 HydrophobicContact CG-CG2 4.47Å; M519-V523 VanDerWaalsContact O-CG2 3.32Å; M519-V523 WeakPolarHBondContact O-CG2 3.47Å; M519-V523 PolarHBondContact O-N 3.43Å |
| 520 | D | 86.5 | Confident | 83.6 | Confident | 11 Ų | 11 | 48 Ų | 48 | 6% | 0.059 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.7 | -44.8 | 176.4 | -71.8 | -28.4 | 0 | 0 | 0 | 111.8 | P516 R517 Y522 V523 F524 N567 L568 S569 D570 | P516-D520 PolarHBondContact O-N 3.1Å; R517-D520 PolarHBondContact O-N 3.06Å; D520-Y522 VanDerWaalsContact C-N 3.32Å; D520-Y522 PolarHBondContact O-N 3.28Å; D520-V523 PolarHBondContact O-N 3.3Å; D520-F524 VanDerWaalsContact O-CB 3.29Å; D520-F524 WeakPolarHBondContact O-CB 3.35Å; D520-F524 PolarHBondContact O-N 2.88Å; D520-N567 HydrophobicContact CB-CB 3.96Å; D520-N567 WeakPolarHBondContact OD2-CA 3.33Å; D520-N567 WeakPolarHBondContact OD2-CB 3.16Å; D520-L568 PolarHBondContact OD2-N 3.49Å; D520-S569 WeakPolarHBondContact OD1-CB 3.19Å; D520-S569 PolarHBondContact OD1-N 2.88Å; D520-S569 PolarHBondContact OD1-OG 2.77Å; D520-S569 WeakPolarHBondContact OD2-CA 3.22Å; D520-S569 VanDerWaalsContact OD2-CB 3.32Å; D520-S569 WeakPolarHBondContact OD2-CB 3.45Å; D520-S569 PolarHBondContact OD2-N 2.86Å; D520-D570 PolarHBondContact OD2-N 3.24Å |
| 521 | Q | 85.5 | Confident | 83.2 | Confident | 65 Ų | 65 | 46.2 Ų | 46.2 | 30% | 0.304 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.8 | -43 | 174.5 | -73.4 | 179.3 | -15.2 | 0 | 0 | 112.1 | R517 K518 M519 F524 E525 | R517-Q521 VanDerWaalsContact O-CG 3.31Å; R517-Q521 WeakPolarHBondContact O-CG 3.23Å; R517-Q521 PolarHBondContact O-N 2.8Å; K518-Q521 PolarHBondContact O-N 2.81Å; M519-Q521 VanDerWaalsContact C-N 3.34Å; M519-Q521 PolarHBondContact O-N 3.48Å; Q521-F524 PolarHBondContact O-N 3.26Å; Q521-E525 WeakPolarHBondContact O-CG 3.48Å; Q521-E525 PolarHBondContact O-N 2.71Å |
| 522 | Y | 82.6 | Confident | 82.5 | Confident | 34 Ų | 34 | 49.1 Ų | 49.1 | 13% | 0.133 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.8 | -42.5 | 179.3 | -61 | -27.6 | 0 | 0 | 0 | 112 | P60 P61 T62 Y507 K518 M519 D520 S526 | P60-Y522 HydrophobicContact CB-CD1 4.39Å; P60-Y522 HydrophobicContact CB-CE1 3.64Å; P60-Y522 HydrophobicContact CB-CE2 4.45Å; P61-Y522 HydrophobicContact CG-CD2 3.63Å; P61-Y522 HydrophobicContact CG-CE2 4.17Å; P61-Y522 HydrophobicContact CG-CG 4.08Å; T62-Y522 HydrophobicContact CG2-CD1 3.39Å; T62-Y522 HydrophobicContact CG2-CE1 4.31Å; T62-Y522 HydrophobicContact CG2-CG 3.82Å; Y507-Y522 HydrophobicContact CE1-CD2 4.46Å; Y507-Y522 AromaticContact CE1-CE2 3.76Å; Y507-Y522 HydrophobicContact CE1-CE2 3.76Å; Y507-Y522 AromaticContact CZ-CE2 3.93Å; K518-Y522 HydrophobicContact CB-CE2 3.93Å; K518-Y522 WeakPolarHBondContact O-CB 3.34Å; K518-Y522 WeakPolarHBondContact O-CD1 3.45Å; K518-Y522 WeakPolarHBondContact O-CD2 3.45Å; K518-Y522 PolarHBondContact O-N 3.48Å; M519-Y522 PolarHBondContact O-N 3.24Å; M519-Y522 VanDerWaalsContact O-N 3.11Å; D520-Y522 VanDerWaalsContact C-N 3.32Å; D520-Y522 PolarHBondContact O-N 3.28Å; Y522-S526 WeakPolarHBondContact O-CB 3.38Å; Y522-S526 PolarHBondContact O-N 3.31Å; Y522-S526 PolarHBondContact O-OG 3.08Å |
| 523 | V | 81.1 | Confident | 81.7 | Confident | 31 Ų | 31 | 48.3 Ų | 48.3 | 19% | 0.188 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.8 | -45 | 175.1 | 173.1 | 0 | 0 | 0 | 0 | 110.1 | F6 M519 D520 S526 L527 I564 | F6-V523 HydrophobicContact CD2-CG1 4.43Å; F6-V523 HydrophobicContact CE2-CG1 3.74Å; M519-V523 HydrophobicContact CG-CG2 4.47Å; M519-V523 VanDerWaalsContact O-CG2 3.32Å; M519-V523 WeakPolarHBondContact O-CG2 3.47Å; M519-V523 PolarHBondContact O-N 3.43Å; D520-V523 PolarHBondContact O-N 3.3Å; V523-S526 WeakPolarHBondContact O-CB 3.32Å; V523-S526 PolarHBondContact O-N 3.47Å; V523-L527 HydrophobicContact CG1-CD1 3.99Å; V523-L527 WeakPolarHBondContact O-CB 3.29Å; V523-L527 PolarHBondContact O-N 3.13Å; V523-I564 HydrophobicContact CB-CG2 4.42Å; V523-I564 HydrophobicContact CG1-CD1 3.97Å; V523-I564 HydrophobicContact CG1-CG2 3.84Å |
| 524 | F | 83 | Confident | 80.8 | Confident | 43 Ų | 43 | 44.9 Ų | 44.9 | 19% | 0.189 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.2 | -52.7 | 179.4 | 178.9 | -102.6 | 0 | 0 | 0 | 112.1 | D520 Q521 S526 L527 K528 L561 I564 R565 | D520-F524 VanDerWaalsContact O-CB 3.29Å; D520-F524 WeakPolarHBondContact O-CB 3.35Å; D520-F524 PolarHBondContact O-N 2.88Å; Q521-F524 PolarHBondContact O-N 3.26Å; F524-S526 VanDerWaalsContact C-N 3.28Å; F524-S526 PolarHBondContact O-N 3.18Å; F524-L527 PolarHBondContact O-N 3.36Å; F524-K528 HydrophobicContact CE1-CD 3.94Å; F524-K528 HydrophobicContact CZ-CD 4.3Å; F524-K528 VanDerWaalsContact O-CB 3.26Å; F524-K528 WeakPolarHBondContact O-CB 3.5Å; F524-K528 PolarHBondContact O-N 3.22Å; F524-L561 HydrophobicContact CD2-CD1 3.89Å; F524-L561 HydrophobicContact CE2-CD1 3.68Å; F524-L561 HydrophobicContact CE2-CG 4.14Å; F524-L561 HydrophobicContact CZ-CD1 4.5Å; F524-I564 HydrophobicContact CB-CG2 3.99Å; F524-I564 HydrophobicContact CD2-CG2 4.36Å; F524-R565 HydrophobicContact CD2-CB 4.31Å; F524-R565 HydrophobicContact CE2-CB 3.93Å; F524-R565 HydrophobicContact CE2-CG 4.3Å |
| 525 | E | 81.2 | Confident | 80.1 | Confident | 78 Ų | 78 | 43.1 Ų | 43.1 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.3 | -35.1 | 178.9 | -69.2 | -60 | 150.9 | 0 | 0 | 111.6 | Q521 K528 S529 | Q521-E525 WeakPolarHBondContact O-CG 3.48Å; Q521-E525 PolarHBondContact O-N 2.71Å; E525-K528 PolarHBondContact O-N 3.07Å; E525-K528 IonicContact OE1-NZ 2.78Å; E525-K528 PolarHBondContact OE1-NZ 2.99Å; E525-K528 IonicContact OE2-NZ 3.5Å; E525-K528 PolarHBondContact OE2-NZ 3.36Å; E525-S529 WeakPolarHBondContact O-CB 3.45Å; E525-S529 PolarHBondContact O-N 2.93Å |
| 526 | S | 75.7 | Confident | 79 | Confident | 14 Ų | 14 | 45 Ų | 45 | 10% | 0.098 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -48 | 174.1 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | F65 Y522 V523 F524 S529 I530 | F65-S526 WeakPolarHBondContact CE1-O 3.48Å; Y522-S526 WeakPolarHBondContact O-CB 3.38Å; Y522-S526 PolarHBondContact O-N 3.31Å; Y522-S526 PolarHBondContact O-OG 3.08Å; V523-S526 WeakPolarHBondContact O-CB 3.32Å; V523-S526 PolarHBondContact O-N 3.47Å; F524-S526 VanDerWaalsContact C-N 3.28Å; F524-S526 PolarHBondContact O-N 3.18Å; S526-S529 PolarHBondContact O-N 3.33Å; S526-S529 PolarHBondContact O-OG 2.99Å; S526-I530 PolarHBondContact O-N 3.13Å |
| 527 | L | 75.3 | Confident | 77.6 | Confident | 9 Ų | 9 | 46.2 Ų | 46.2 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 175 | -85.3 | 163.2 | 0 | 0 | 0 | 113.2 | M2 V523 F524 S529 I530 F531 L561 I564 | M2-L527 HydrophobicContact CE-CB 4.12Å; M2-L527 HydrophobicContact CE-CD1 4.46Å; M2-L527 HydrophobicContact CE-CD2 3.18Å; M2-L527 HydrophobicContact CE-CG 3.29Å; M2-L527 HydrophobicContact SD-CD2 3.15Å; M2-L527 WeakPolarHBondContact SD-CD2 3.34Å; M2-L527 HydrophobicContact SD-CG 4Å; V523-L527 HydrophobicContact CG1-CD1 3.99Å; V523-L527 WeakPolarHBondContact O-CB 3.29Å; V523-L527 PolarHBondContact O-N 3.13Å; F524-L527 PolarHBondContact O-N 3.36Å; L527-S529 VanDerWaalsContact C-N 3.28Å; L527-S529 PolarHBondContact O-N 2.94Å; L527-I530 PolarHBondContact O-N 2.91Å; L527-F531 WeakPolarHBondContact O-CB 3.24Å; L527-F531 PolarHBondContact O-N 3.3Å; L527-L561 HydrophobicContact CB-CD1 3.84Å; L527-I564 HydrophobicContact CD1-CB 4.23Å; L527-I564 HydrophobicContact CD1-CD1 3.1Å; L527-I564 HydrophobicContact CD1-CG1 4.2Å; L527-I564 HydrophobicContact CD1-CG2 4.14Å |
| 528 | K | 80.7 | Confident | 76.3 | Confident | 61 Ų | 61 | 43.4 Ų | 43.4 | 27% | 0.265 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.7 | -41.2 | 177.8 | -179.5 | 177.7 | 160.1 | -151.6 | 0 | 111.3 | F524 E525 I530 F531 Y532 L561 | F524-K528 HydrophobicContact CE1-CD 3.94Å; F524-K528 HydrophobicContact CZ-CD 4.3Å; F524-K528 VanDerWaalsContact O-CB 3.26Å; F524-K528 WeakPolarHBondContact O-CB 3.5Å; F524-K528 PolarHBondContact O-N 3.22Å; E525-K528 PolarHBondContact O-N 3.07Å; E525-K528 IonicContact OE1-NZ 2.78Å; E525-K528 PolarHBondContact OE1-NZ 2.99Å; E525-K528 IonicContact OE2-NZ 3.5Å; E525-K528 PolarHBondContact OE2-NZ 3.36Å; K528-I530 PolarHBondContact O-N 3.49Å; K528-F531 PolarHBondContact O-N 2.73Å; K528-Y532 HydrophobicContact CD-CE2 4.25Å; K528-Y532 HydrophobicContact CG-CD2 3.77Å; K528-Y532 HydrophobicContact CG-CE2 3.47Å; K528-Y532 VanDerWaalsContact CG-CE2 3.47Å; K528-Y532 WeakPolarHBondContact O-CD2 3Å; K528-Y532 PolarHBondContact O-N 3.47Å; K528-L561 HydrophobicContact CB-CD1 4.33Å |
| 529 | S | 72.9 | Confident | 74.8 | Confident | 30 Ų | 30 | 44.7 Ų | 44.7 | 21% | 0.21 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 175.4 | 77.3 | 0 | 0 | 0 | 0 | 112.4 | E525 S526 L527 A533 | E525-S529 WeakPolarHBondContact O-CB 3.45Å; E525-S529 PolarHBondContact O-N 2.93Å; S526-S529 PolarHBondContact O-N 3.33Å; S526-S529 PolarHBondContact O-OG 2.99Å; L527-S529 VanDerWaalsContact C-N 3.28Å; L527-S529 PolarHBondContact O-N 2.94Å; S529-A533 VanDerWaalsContact O-CB 3.25Å; S529-A533 WeakPolarHBondContact O-CB 3.32Å; S529-A533 PolarHBondContact O-N 3.16Å |
| 530 | I | 72.2 | Confident | 73.3 | Confident | 34 Ų | 34 | 49.5 Ų | 49.5 | 17% | 0.174 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.1 | -46.8 | 174.1 | -76.7 | 174.9 | 0 | 0 | 0 | 110.7 | M2 F65 V69 S526 L527 K528 Y532 A533 V534 | M2-I530 HydrophobicContact CE-CD1 3.6Å; M2-I530 HydrophobicContact CG-CD1 4.35Å; M2-I530 HydrophobicContact SD-CD1 3.61Å; F65-I530 HydrophobicContact CE1-CD1 3.36Å; F65-I530 HydrophobicContact CE1-CG1 3.75Å; F65-I530 HydrophobicContact CZ-CD1 3.31Å; F65-I530 HydrophobicContact CZ-CG1 4.22Å; V69-I530 HydrophobicContact CG1-CG1 4.13Å; V69-I530 HydrophobicContact CG2-CD1 4.05Å; V69-I530 HydrophobicContact CG2-CG1 3.49Å; V69-I530 VanDerWaalsContact CG2-CG1 3.49Å; S526-I530 PolarHBondContact O-N 3.13Å; L527-I530 PolarHBondContact O-N 2.91Å; K528-I530 PolarHBondContact O-N 3.49Å; I530-Y532 VanDerWaalsContact C-N 3.34Å; I530-Y532 PolarHBondContact O-N 3.16Å; I530-A533 PolarHBondContact O-N 2.89Å; I530-V534 HydrophobicContact CG2-CG2 4.09Å; I530-V534 WeakPolarHBondContact O-CB 3.41Å; I530-V534 VanDerWaalsContact O-CG2 3.27Å; I530-V534 WeakPolarHBondContact O-CG2 3.44Å; I530-V534 PolarHBondContact O-N 2.76Å |
| 531 | F | 75.7 | Confident | 71.5 | Confident | 11 Ų | 11 | 51.6 Ų | 51.6 | 5% | 0.048 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.7 | -51.5 | -178.4 | -173.9 | -89.4 | 0 | 0 | 0 | 110.6 | L527 K528 A533 V534 E535 L554 I557 R558 L561 | L527-F531 WeakPolarHBondContact O-CB 3.24Å; L527-F531 PolarHBondContact O-N 3.3Å; K528-F531 PolarHBondContact O-N 2.73Å; F531-A533 PolarHBondContact O-N 3.25Å; F531-V534 PolarHBondContact O-N 2.91Å; F531-E535 VanDerWaalsContact CE1-OE2 3.26Å; F531-E535 WeakPolarHBondContact CE1-OE2 3.49Å; F531-E535 VanDerWaalsContact O-CB 3.31Å; F531-E535 WeakPolarHBondContact O-CB 3.5Å; F531-E535 PolarHBondContact O-N 2.85Å; F531-L554 HydrophobicContact CD2-CD1 3.49Å; F531-L554 VanDerWaalsContact CD2-CD1 3.49Å; F531-L554 HydrophobicContact CD2-CG 4.36Å; F531-L554 HydrophobicContact CE2-CD1 3.27Å; F531-L554 HydrophobicContact CE2-CD2 4.32Å; F531-L554 HydrophobicContact CE2-CG 3.63Å; F531-L554 HydrophobicContact CG-CD1 4.28Å; F531-L554 HydrophobicContact CZ-CD1 3.88Å; F531-L554 HydrophobicContact CZ-CD2 4.18Å; F531-L554 HydrophobicContact CZ-CG 3.98Å; F531-I557 HydrophobicContact CD2-CG2 4.39Å; F531-R558 HydrophobicContact CE2-CB 4.48Å; F531-R558 VanDerWaalsContact CZ-NH2 3.27Å; F531-L561 HydrophobicContact CG-CD2 4.46Å |
| 532 | Y | 74.2 | Confident | 69.9 | Low | 144 Ų | 144 | 53.6 Ų | 53.6 | 57% | 0.565 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -66.5 | -37.1 | 177.9 | -74.6 | -58.4 | 0 | 0 | 0 | 113.5 | K528 I530 E535 G536 | K528-Y532 HydrophobicContact CD-CE2 4.25Å; K528-Y532 HydrophobicContact CG-CD2 3.77Å; K528-Y532 HydrophobicContact CG-CE2 3.47Å; K528-Y532 VanDerWaalsContact CG-CE2 3.47Å; K528-Y532 WeakPolarHBondContact O-CD2 3Å; K528-Y532 PolarHBondContact O-N 3.47Å; I530-Y532 VanDerWaalsContact C-N 3.34Å; I530-Y532 PolarHBondContact O-N 3.16Å; Y532-E535 PolarHBondContact O-N 3.34Å; Y532-G536 PolarHBondContact O-N 3.41Å |
| 533 | A | 68.8 | Low | 68.2 | Low | 23 Ų | 23 | 61.6 Ų | 61.6 | 19% | 0.19 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.6 | -39.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V69 T73 S529 I530 F531 S537 | V69-A533 HydrophobicContact CG1-CB 3.78Å; T73-A533 HydrophobicContact CG2-CB 3.81Å; S529-A533 VanDerWaalsContact O-CB 3.25Å; S529-A533 WeakPolarHBondContact O-CB 3.32Å; S529-A533 PolarHBondContact O-N 3.16Å; I530-A533 PolarHBondContact O-N 2.89Å; F531-A533 PolarHBondContact O-N 3.25Å; A533-S537 PolarHBondContact O-N 2.93Å; A533-S537 VanDerWaalsContact O-N 3.17Å |
| 534 | V | 69.3 | Low | 66.6 | Low | 22 Ų | 22 | 62.7 Ų | 62.7 | 13% | 0.133 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.3 | -46.6 | 174.9 | 172 | 0 | 0 | 0 | 0 | 110.8 | I530 F531 G536 S537 L538 V549 L554 | I530-V534 HydrophobicContact CG2-CG2 4.09Å; I530-V534 WeakPolarHBondContact O-CB 3.41Å; I530-V534 VanDerWaalsContact O-CG2 3.27Å; I530-V534 WeakPolarHBondContact O-CG2 3.44Å; I530-V534 PolarHBondContact O-N 2.76Å; F531-V534 PolarHBondContact O-N 2.91Å; V534-G536 VanDerWaalsContact C-N 3.35Å; V534-G536 PolarHBondContact O-N 3.22Å; V534-S537 PolarHBondContact O-N 3.37Å; V534-S537 PolarHBondContact O-OG 3.47Å; V534-L538 HydrophobicContact CG1-CD1 4.5Å; V534-L538 PolarHBondContact O-N 3.18Å; V534-V549 HydrophobicContact CG1-CB 4.22Å; V534-V549 HydrophobicContact CG1-CG1 3.68Å; V534-V549 HydrophobicContact CG1-CG2 4.16Å; V534-L554 HydrophobicContact CB-CD1 4.28Å; V534-L554 HydrophobicContact CG1-CD1 3.87Å |
| 535 | E | 72 | Confident | 64.8 | Low | 74 Ų | 74 | 72.4 Ų | 72.4 | 35% | 0.346 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 178 | -172.6 | 171.4 | -151.7 | 0 | 0 | 112.4 | F531 Y532 S537 L538 S539 L554 | F531-E535 VanDerWaalsContact CE1-OE2 3.26Å; F531-E535 WeakPolarHBondContact CE1-OE2 3.49Å; F531-E535 VanDerWaalsContact O-CB 3.31Å; F531-E535 WeakPolarHBondContact O-CB 3.5Å; F531-E535 PolarHBondContact O-N 2.85Å; Y532-E535 PolarHBondContact O-N 3.34Å; E535-S537 PolarHBondContact O-N 3Å; E535-L538 WeakPolarHBondContact O-CB 3.16Å; E535-L538 PolarHBondContact O-N 3.2Å; E535-S539 PolarHBondContact O-N 2.96Å; E535-L554 HydrophobicContact CB-CD2 4.15Å; E535-L554 HydrophobicContact CG-CD2 4.37Å |
| 536 | G | 66.8 | Low | 63.2 | Low | 40 Ų | 40 | 74 Ų | 74 | 41% | 0.412 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y532 V534 L538 S539 D540 | Y532-G536 PolarHBondContact O-N 3.41Å; V534-G536 VanDerWaalsContact C-N 3.35Å; V534-G536 PolarHBondContact O-N 3.22Å; G536-L538 VanDerWaalsContact C-N 3.28Å; G536-L538 PolarHBondContact O-N 2.93Å; G536-S539 PolarHBondContact O-N 3.11Å; G536-D540 PolarHBondContact O-N 3.3Å |
| 537 | S | 62.8 | Low | 62 | Low | 35 Ų | 35 | 79 Ų | 79 | 25% | 0.245 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65 | -30 | 178.3 | 74.9 | 0 | 0 | 0 | 0 | 113.4 | A533 V534 E535 S541 | A533-S537 PolarHBondContact O-N 2.93Å; A533-S537 VanDerWaalsContact O-N 3.17Å; V534-S537 PolarHBondContact O-N 3.37Å; V534-S537 PolarHBondContact O-OG 3.47Å; E535-S537 PolarHBondContact O-N 3Å; S537-S541 PolarHBondContact O-N 3.48Å; S537-S541 VanDerWaalsContact O-N 3.14Å |
| 538 | L | 62.1 | Low | 60.7 | Low | 50 Ų | 50 | 87.7 Ų | 87.7 | 26% | 0.262 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 175.3 | -80.3 | 158.5 | 0 | 0 | 0 | 112 | V534 E535 G536 D540 S541 V549 L554 | V534-L538 HydrophobicContact CG1-CD1 4.5Å; V534-L538 PolarHBondContact O-N 3.18Å; E535-L538 WeakPolarHBondContact O-CB 3.16Å; E535-L538 PolarHBondContact O-N 3.2Å; G536-L538 VanDerWaalsContact C-N 3.28Å; G536-L538 PolarHBondContact O-N 2.93Å; L538-D540 PolarHBondContact O-N 2.65Å; L538-S541 PolarHBondContact O-N 2.95Å; L538-S541 PolarHBondContact O-OG 3.37Å; L538-V549 WeakPolarHBondContact CD2-O 3.41Å; L538-L554 HydrophobicContact CD1-CD2 3.74Å |
| 539 | S | 57 | Low | 59.5 | Low | 98 Ų | 98 | 85.5 Ų | 85.5 | 69% | 0.685 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66.8 | -35 | 178.7 | -75.6 | 0 | 0 | 0 | 0 | 113 | E535 G536 | E535-S539 PolarHBondContact O-N 2.96Å; G536-S539 PolarHBondContact O-N 3.11Å |
| 540 | D | 53 | Low | 59.1 | Low | 132 Ų | 132 | 87.7 Ų | 87.7 | 71% | 0.706 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -83.1 | -15.4 | 178.3 | -89.4 | -14.9 | 0 | 0 | 0 | 113.9 | G536 L538 S542 K543 | G536-D540 PolarHBondContact O-N 3.3Å; L538-D540 PolarHBondContact O-N 2.65Å; D540-S542 PolarHBondContact O-N 3.08Å; D540-K543 PolarHBondContact O-N 2.84Å; D540-K543 VanDerWaalsContact O-N 3.12Å |
| 541 | S | 50.4 | Low | 58.9 | Low | 55 Ų | 55 | 92.6 Ų | 92.6 | 39% | 0.385 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -62.9 | -10.5 | -176.7 | 72.9 | 0 | 0 | 0 | 0 | 114.7 | S537 L538 K543 S544 | S537-S541 PolarHBondContact O-N 3.48Å; S537-S541 VanDerWaalsContact O-N 3.14Å; L538-S541 PolarHBondContact O-N 2.95Å; L538-S541 PolarHBondContact O-OG 3.37Å; S541-K543 PolarHBondContact O-N 3.47Å; S541-S544 PolarHBondContact O-N 2.6Å |
| 542 | S | 50.8 | Low | 58.4 | Low | 107 Ų | 107 | 97.3 Ų | 97.3 | 75% | 0.748 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -57.7 | -12.6 | 168.6 | 67.9 | 0 | 0 | 0 | 0 | 113.6 | D540 | D540-S542 PolarHBondContact O-N 3.08Š|
| 543 | K | 47.6 | Very low | 58.1 | Low | 202 Ų | 202 | 96.2 Ų | 96.2 | 88% | 0.878 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -128.9 | 2.5 | 175.4 | -76.1 | -177.6 | 178.6 | 173.6 | 0 | 117.3 | D540 S541 | D540-K543 PolarHBondContact O-N 2.84Å; D540-K543 VanDerWaalsContact O-N 3.12Å; S541-K543 PolarHBondContact O-N 3.47Å |
| 544 | S | 46.7 | Very low | 58 | Low | 55 Ų | 55 | 95.5 Ų | 95.5 | 39% | 0.385 | 50% | 0.5 | S | S | . | . | trans | -129.1 | 126.8 | -175 | -176.3 | 0 | 0 | 0 | 0 | 113.2 | S541 | S541-S544 PolarHBondContact O-N 2.6Š| ||
| 545 | R | 44.9 | Very low | 58 | Low | 247 Ų | 247 | 98 Ų | 98 | 93% | 0.932 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -95.4 | 16.3 | -162.7 | -127.1 | -171.6 | -82.4 | -177 | -5.3 | 115.6 | ||
| 546 | T | 47.8 | Very low | 57.6 | Low | 111 Ų | 111 | 97.7 Ų | 97.7 | 68% | 0.681 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -129.5 | -2.5 | -168.4 | 51.6 | 0 | 0 | 0 | 0 | 117.5 | ||
| 547 | F | 50.8 | Low | 57.6 | Low | 118 Ų | 118 | 98.4 Ų | 98.4 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | trans | -136.1 | 85 | 174.1 | -162.1 | -119.2 | 0 | 0 | 0 | 110.1 | V549 | F547-V549 HydrophobicContact CD1-CG2 3.48Å; F547-V549 VanDerWaalsContact CD1-CG2 3.48Å; F547-V549 HydrophobicContact CE1-CG2 3.05Å; F547-V549 HydrophobicContact CE2-CG2 4.45Å; F547-V549 HydrophobicContact CG-CG2 4.35Å; F547-V549 HydrophobicContact CZ-CG2 3.6Å; F547-V549 PolarHBondContact O-N 2.82Å | ||
| 548 | H | 47.8 | Very low | 57.9 | Low | 192 Ų | 192 | 102.1 Ų | 102.1 | 89% | 0.889 | 53% | 0.525 | S | S | * | . | trans | -77.9 | 96.7 | 167.9 | -109.3 | -73.2 | 0 | 0 | 0 | 107.2 | ||||
| 549 | V | 56.9 | Low | 58 | Low | 15 Ų | 15 | 103 Ų | 103 | 9% | 0.091 | 53% | 0.534 | C | S | . | . | trans | -84.2 | 124.2 | 157.1 | -176.8 | 0 | 0 | 0 | 0 | 106.3 | V534 L538 F547 K551 E553 | V534-V549 HydrophobicContact CG1-CB 4.22Å; V534-V549 HydrophobicContact CG1-CG1 3.68Å; V534-V549 HydrophobicContact CG1-CG2 4.16Å; L538-V549 WeakPolarHBondContact CD2-O 3.41Å; F547-V549 HydrophobicContact CD1-CG2 3.48Å; F547-V549 VanDerWaalsContact CD1-CG2 3.48Å; F547-V549 HydrophobicContact CE1-CG2 3.05Å; F547-V549 HydrophobicContact CE2-CG2 4.45Å; F547-V549 HydrophobicContact CG-CG2 4.35Å; F547-V549 HydrophobicContact CZ-CG2 3.6Å; F547-V549 PolarHBondContact O-N 2.82Å; V549-K551 PolarHBondContact O-N 3.43Å; V549-E553 HydrophobicContact CG1-CB 4.48Å | ||
| 550 | D | 63.4 | Low | 58.4 | Low | 77 Ų | 77 | 101.5 Ų | 101.5 | 41% | 0.412 | 52% | 0.52 | S | S | . | . | trans | -69.5 | 131.9 | 172.6 | -170.8 | -6.7 | 0 | 0 | 0 | 108.2 | N552 E553 L554 | D550-N552 PolarHBondContact O-N 3.48Å; D550-N552 VanDerWaalsContact O-N 3.12Å; D550-N552 PolarHBondContact OD1-N 2.87Å; D550-N552 PolarHBondContact OD1-ND2 3.32Å; D550-N552 WeakPolarHBondContact OD2-CB 3.48Å; D550-N552 PolarHBondContact OD2-ND2 2.84Å; D550-E553 HydrophobicContact CB-CG 4.23Å; D550-E553 WeakPolarHBondContact O-CB 3.23Å; D550-E553 PolarHBondContact O-N 3.3Å; D550-L554 PolarHBondContact O-N 3.33Å | ||
| 551 | K | 67.4 | Low | 59.1 | Low | 137 Ų | 137 | 96.5 Ų | 96.5 | 60% | 0.596 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -54.7 | -31.2 | 173.2 | -174.1 | 176.7 | 176.4 | 177.5 | 0 | 110.8 | V549 E553 L554 D555 | V549-K551 PolarHBondContact O-N 3.43Å; K551-E553 VanDerWaalsContact C-N 3.3Å; K551-E553 PolarHBondContact O-N 2.81Å; K551-L554 PolarHBondContact O-N 3.18Å; K551-D555 PolarHBondContact O-N 3.28Å |
| 552 | N | 66.5 | Low | 59.8 | Low | 109 Ų | 109 | 97.6 Ų | 97.6 | 58% | 0.583 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.3 | -35.1 | 174.4 | -59.7 | -33.8 | 0 | 0 | 0 | 113 | D550 A556 | D550-N552 PolarHBondContact O-N 3.48Å; D550-N552 VanDerWaalsContact O-N 3.12Å; D550-N552 PolarHBondContact OD1-N 2.87Å; D550-N552 PolarHBondContact OD1-ND2 3.32Å; D550-N552 WeakPolarHBondContact OD2-CB 3.48Å; D550-N552 PolarHBondContact OD2-ND2 2.84Å; N552-A556 WeakPolarHBondContact O-CB 3.48Å; N552-A556 PolarHBondContact O-N 3.41Å |
| 553 | E | 67.9 | Low | 60.5 | Low | 121 Ų | 121 | 96.3 Ų | 96.3 | 57% | 0.565 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -70.7 | -37.5 | 176.3 | -71.3 | -174.4 | 161.3 | 0 | 0 | 111.6 | V549 D550 K551 A556 I557 | V549-E553 HydrophobicContact CG1-CB 4.48Å; D550-E553 HydrophobicContact CB-CG 4.23Å; D550-E553 WeakPolarHBondContact O-CB 3.23Å; D550-E553 PolarHBondContact O-N 3.3Å; K551-E553 VanDerWaalsContact C-N 3.3Å; K551-E553 PolarHBondContact O-N 2.81Å; E553-A556 WeakPolarHBondContact O-CB 3.17Å; E553-A556 PolarHBondContact O-N 2.92Å; E553-I557 WeakPolarHBondContact O-CG1 3.06Å; E553-I557 PolarHBondContact O-N 2.74Å |
| 554 | L | 66.6 | Low | 61.4 | Low | 9 Ų | 9 | 87.5 Ų | 87.5 | 5% | 0.047 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67 | -45 | 176.5 | -174.2 | 65.7 | 0 | 0 | 0 | 111.4 | F531 V534 E535 L538 D550 K551 A556 I557 R558 | F531-L554 HydrophobicContact CD2-CD1 3.49Å; F531-L554 VanDerWaalsContact CD2-CD1 3.49Å; F531-L554 HydrophobicContact CD2-CG 4.36Å; F531-L554 HydrophobicContact CE2-CD1 3.27Å; F531-L554 HydrophobicContact CE2-CD2 4.32Å; F531-L554 HydrophobicContact CE2-CG 3.63Å; F531-L554 HydrophobicContact CG-CD1 4.28Å; F531-L554 HydrophobicContact CZ-CD1 3.88Å; F531-L554 HydrophobicContact CZ-CD2 4.18Å; F531-L554 HydrophobicContact CZ-CG 3.98Å; V534-L554 HydrophobicContact CB-CD1 4.28Å; V534-L554 HydrophobicContact CG1-CD1 3.87Å; E535-L554 HydrophobicContact CB-CD2 4.15Å; E535-L554 HydrophobicContact CG-CD2 4.37Å; L538-L554 HydrophobicContact CD1-CD2 3.74Å; D550-L554 PolarHBondContact O-N 3.33Å; K551-L554 PolarHBondContact O-N 3.18Å; L554-A556 PolarHBondContact O-N 2.92Å; L554-I557 PolarHBondContact O-N 2.88Å; L554-R558 PolarHBondContact O-N 3.05Å |
| 555 | D | 68.3 | Low | 62.6 | Low | 75 Ų | 75 | 90.4 Ų | 90.4 | 40% | 0.401 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.7 | -28.2 | 176.3 | -72.6 | -26.3 | 0 | 0 | 0 | 111.3 | K551 P559 | K551-D555 PolarHBondContact O-N 3.28Å; D555-P559 WeakPolarHBondContact O-CD 3.25Å |
| 556 | A | 65.1 | Low | 63.9 | Low | 67 Ų | 67 | 79.7 Ų | 79.7 | 55% | 0.554 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -71.4 | -25.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114 | N552 E553 L554 | N552-A556 WeakPolarHBondContact O-CB 3.48Å; N552-A556 PolarHBondContact O-N 3.41Å; E553-A556 WeakPolarHBondContact O-CB 3.17Å; E553-A556 PolarHBondContact O-N 2.92Å; L554-A556 PolarHBondContact O-N 2.92Å |
| 557 | I | 65.3 | Low | 65.6 | Low | 54 Ų | 54 | 76.5 Ų | 76.5 | 28% | 0.277 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -80.9 | -30.5 | 178 | -65.8 | 166.4 | 0 | 0 | 0 | 111.4 | F531 E553 L554 T560 L561 | F531-I557 HydrophobicContact CD2-CG2 4.39Å; E553-I557 WeakPolarHBondContact O-CG1 3.06Å; E553-I557 PolarHBondContact O-N 2.74Å; L554-I557 PolarHBondContact O-N 2.88Å; I557-T560 WeakPolarHBondContact O-CA 3.34Å; I557-T560 VanDerWaalsContact O-CB 3.28Å; I557-T560 WeakPolarHBondContact O-CB 3.35Å; I557-T560 PolarHBondContact O-N 3.3Å; I557-L561 PolarHBondContact O-N 2.97Å; I557-L561 VanDerWaalsContact O-N 3.09Å |
| 558 | R | 69.8 | Low | 67.2 | Low | 113 Ų | 113 | 73.7 Ų | 73.7 | 43% | 0.426 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -53.8 | -46.6 | -175.9 | -179.5 | 166.3 | -70.7 | -174 | -3.7 | 113.7 | F531 L554 T560 L561 D562 | F531-R558 HydrophobicContact CE2-CB 4.48Å; F531-R558 VanDerWaalsContact CZ-NH2 3.27Å; L554-R558 PolarHBondContact O-N 3.05Å; R558-T560 PolarHBondContact O-N 3.03Å; R558-L561 WeakPolarHBondContact O-CB 3.37Å; R558-L561 PolarHBondContact O-N 2.93Å; R558-L561 VanDerWaalsContact O-N 3.12Å; R558-D562 PolarHBondContact O-N 2.98Å; R558-D562 VanDerWaalsContact O-N 3.1Å |
| 559 | P | 63.6 | Low | 69.1 | Low | 70 Ų | 70 | 66 Ų | 66 | 46% | 0.455 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.7 | -33.8 | 173.9 | -24.3 | 33.1 | 0 | 0 | 0 | 113.6 | D555 D562 I563 | D555-P559 WeakPolarHBondContact O-CD 3.25Å; P559-D562 PolarHBondContact O-N 2.95Å; P559-I563 VanDerWaalsContact O-CG1 3.26Å; P559-I563 WeakPolarHBondContact O-CG1 3.32Å; P559-I563 PolarHBondContact O-N 3.28Å |
| 560 | T | 65.1 | Low | 70.7 | Confident | 65 Ų | 65 | 65.9 Ų | 65.9 | 40% | 0.399 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.9 | -37.4 | 178.3 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | I557 R558 D562 I563 I564 | I557-T560 WeakPolarHBondContact O-CA 3.34Å; I557-T560 VanDerWaalsContact O-CB 3.28Å; I557-T560 WeakPolarHBondContact O-CB 3.35Å; I557-T560 PolarHBondContact O-N 3.3Å; R558-T560 PolarHBondContact O-N 3.03Å; T560-D562 VanDerWaalsContact C-N 3.35Å; T560-I563 PolarHBondContact O-N 3.34Å; T560-I564 HydrophobicContact CG2-CD1 3.96Å; T560-I564 WeakPolarHBondContact O-CG1 3.44Å; T560-I564 PolarHBondContact O-N 3.43Å |
| 561 | L | 67.7 | Low | 71.9 | Confident | 27 Ų | 27 | 62.2 Ų | 62.2 | 14% | 0.141 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 174.8 | -174.8 | 66.9 | 0 | 0 | 0 | 111.4 | F524 L527 K528 F531 I557 R558 I564 R565 | F524-L561 HydrophobicContact CD2-CD1 3.89Å; F524-L561 HydrophobicContact CE2-CD1 3.68Å; F524-L561 HydrophobicContact CE2-CG 4.14Å; F524-L561 HydrophobicContact CZ-CD1 4.5Å; L527-L561 HydrophobicContact CB-CD1 3.84Å; K528-L561 HydrophobicContact CB-CD1 4.33Å; F531-L561 HydrophobicContact CG-CD2 4.46Å; I557-L561 PolarHBondContact O-N 2.97Å; I557-L561 VanDerWaalsContact O-N 3.09Å; R558-L561 WeakPolarHBondContact O-CB 3.37Å; R558-L561 PolarHBondContact O-N 2.93Å; R558-L561 VanDerWaalsContact O-N 3.12Å; L561-I564 PolarHBondContact O-N 3.32Å; L561-R565 PolarHBondContact O-N 3.36Å; L561-R565 VanDerWaalsContact O-N 3.1Å |
| 562 | D | 65.9 | Low | 73 | Confident | 79 Ų | 79 | 56.9 Ų | 56.9 | 42% | 0.422 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 176.1 | -67.6 | -30.4 | 0 | 0 | 0 | 111.6 | R558 P559 T560 R565 F566 | R558-D562 PolarHBondContact O-N 2.98Å; R558-D562 VanDerWaalsContact O-N 3.1Å; P559-D562 PolarHBondContact O-N 2.95Å; T560-D562 VanDerWaalsContact C-N 3.35Å; D562-R565 WeakPolarHBondContact O-CB 3.5Å; D562-R565 PolarHBondContact O-N 3.45Å; D562-F566 WeakPolarHBondContact O-CD2 3.39Å; D562-F566 WeakPolarHBondContact O-CE2 3.45Å; D562-F566 WeakPolarHBondContact O-CZ 3.41Å |
| 563 | I | 65.3 | Low | 74.2 | Confident | 80 Ų | 80 | 53.1 Ų | 53.1 | 41% | 0.41 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 175.8 | -68.9 | 164.2 | 0 | 0 | 0 | 111.7 | P559 T560 R565 F566 L568 | P559-I563 VanDerWaalsContact O-CG1 3.26Å; P559-I563 WeakPolarHBondContact O-CG1 3.32Å; P559-I563 PolarHBondContact O-N 3.28Å; T560-I563 PolarHBondContact O-N 3.34Å; I563-R565 VanDerWaalsContact C-N 3.29Å; I563-R565 PolarHBondContact O-N 3.2Å; I563-F566 VanDerWaalsContact O-CB 3.28Å; I563-F566 WeakPolarHBondContact O-CB 3.27Å; I563-F566 WeakPolarHBondContact O-CD2 3.47Å; I563-F566 WeakPolarHBondContact O-CG 3.35Å; I563-F566 PolarHBondContact O-N 3.26Å; I563-F566 VanDerWaalsContact O-N 3.14Å; I563-L568 HydrophobicContact CG2-CD1 3.77Å |
| 564 | I | 66.7 | Low | 75.3 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 9% | 0.087 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74.4 | -24.5 | -175.4 | -72.1 | 170.5 | 0 | 0 | 0 | 111.9 | F6 V523 F524 L527 T560 L561 F566 N567 | F6-I564 HydrophobicContact CE2-CD1 4.23Å; V523-I564 HydrophobicContact CB-CG2 4.42Å; V523-I564 HydrophobicContact CG1-CD1 3.97Å; V523-I564 HydrophobicContact CG1-CG2 3.84Å; F524-I564 HydrophobicContact CB-CG2 3.99Å; F524-I564 HydrophobicContact CD2-CG2 4.36Å; L527-I564 HydrophobicContact CD1-CB 4.23Å; L527-I564 HydrophobicContact CD1-CD1 3.1Å; L527-I564 HydrophobicContact CD1-CG1 4.2Å; L527-I564 HydrophobicContact CD1-CG2 4.14Å; T560-I564 HydrophobicContact CG2-CD1 3.96Å; T560-I564 WeakPolarHBondContact O-CG1 3.44Å; T560-I564 PolarHBondContact O-N 3.43Å; L561-I564 PolarHBondContact O-N 3.32Å; I564-F566 PolarHBondContact O-N 3.02Å; I564-N567 PolarHBondContact O-N 2.95Å; I564-N567 VanDerWaalsContact O-N 3.12Å |
| 565 | R | 71.8 | Confident | 76.4 | Confident | 116 Ų | 116 | 53.1 Ų | 53.1 | 44% | 0.438 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -20.9 | 169.5 | -173.6 | 175.6 | 166.3 | 165.6 | -5.9 | 112.7 | F524 L561 D562 I563 N567 E589 | F524-R565 HydrophobicContact CD2-CB 4.31Å; F524-R565 HydrophobicContact CE2-CB 3.93Å; F524-R565 HydrophobicContact CE2-CG 4.3Å; L561-R565 PolarHBondContact O-N 3.36Å; L561-R565 VanDerWaalsContact O-N 3.1Å; D562-R565 WeakPolarHBondContact O-CB 3.5Å; D562-R565 PolarHBondContact O-N 3.45Å; I563-R565 VanDerWaalsContact C-N 3.29Å; I563-R565 PolarHBondContact O-N 3.2Å; R565-N567 VanDerWaalsContact C-N 3.25Å; R565-N567 PolarHBondContact O-N 3.28Å; R565-E589 IonicContact CZ-OE2 3.35Å; R565-E589 VanDerWaalsContact CZ-OE2 3.27Å; R565-E589 IonicContact NE-OE2 3.42Å; R565-E589 PolarHBondContact NE-OE2 3.47Å; R565-E589 IonicContact NH2-OE1 2.64Å; R565-E589 PolarHBondContact NH2-OE1 2.98Å; R565-E589 VanDerWaalsContact NH2-OE1 3.17Å; R565-E589 IonicContact NH2-OE2 2.76Å; R565-E589 PolarHBondContact NH2-OE2 3.28Å |
| 566 | F | 73.1 | Confident | 77.5 | Confident | 21 Ų | 21 | 49.6 Ų | 49.6 | 9% | 0.092 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -4.7 | 179.6 | -56.4 | -42.2 | 0 | 0 | 0 | 115.3 | D562 I563 I564 L568 I585 F590 | D562-F566 WeakPolarHBondContact O-CD2 3.39Å; D562-F566 WeakPolarHBondContact O-CE2 3.45Å; D562-F566 WeakPolarHBondContact O-CZ 3.41Å; I563-F566 VanDerWaalsContact O-CB 3.28Å; I563-F566 WeakPolarHBondContact O-CB 3.27Å; I563-F566 WeakPolarHBondContact O-CD2 3.47Å; I563-F566 WeakPolarHBondContact O-CG 3.35Å; I563-F566 PolarHBondContact O-N 3.26Å; I563-F566 VanDerWaalsContact O-N 3.14Å; I564-F566 PolarHBondContact O-N 3.02Å; F566-L568 HydrophobicContact CB-CD2 4.26Å; F566-L568 HydrophobicContact CB-CG 4.41Å; F566-L568 PolarHBondContact O-N 2.91Å; F566-I585 HydrophobicContact CB-CG2 3.98Å; F566-I585 HydrophobicContact CD1-CG2 4.44Å; F566-I585 HydrophobicContact CG-CG2 4.13Å; F566-F590 HydrophobicContact CD1-CB 4.24Å; F566-F590 HydrophobicContact CD2-CD2 4.03Å; F566-F590 HydrophobicContact CE1-CB 3.72Å; F566-F590 HydrophobicContact CE1-CD2 4.25Å; F566-F590 HydrophobicContact CE1-CG 4.44Å; F566-F590 HydrophobicContact CE2-CB 4.21Å; F566-F590 AromaticContact CE2-CD2 3.24Å; F566-F590 HydrophobicContact CE2-CD2 3.24Å; F566-F590 AromaticContact CE2-CE2 3.96Å; F566-F590 HydrophobicContact CE2-CE2 3.96Å; F566-F590 HydrophobicContact CE2-CG 4.05Å; F566-F590 HydrophobicContact CZ-CB 3.73Å; F566-F590 AromaticContact CZ-CD2 3.4Å; F566-F590 HydrophobicContact CZ-CD2 3.4Å; F566-F590 HydrophobicContact CZ-CE2 4.43Å; F566-F590 HydrophobicContact CZ-CG 4.01Å |
| 567 | N | 82.9 | Confident | 78.7 | Confident | 44 Ų | 44 | 51 Ų | 51 | 24% | 0.235 | 26% | 0.255 | C | S | . | . | trans | 49.8 | 55.9 | -178.2 | -53.2 | -51.4 | 0 | 0 | 0 | 111.9 | D520 I564 R565 S569 D570 A571 | D520-N567 HydrophobicContact CB-CB 3.96Å; D520-N567 WeakPolarHBondContact OD2-CA 3.33Å; D520-N567 WeakPolarHBondContact OD2-CB 3.16Å; I564-N567 PolarHBondContact O-N 2.95Å; I564-N567 VanDerWaalsContact O-N 3.12Å; R565-N567 VanDerWaalsContact C-N 3.25Å; R565-N567 PolarHBondContact O-N 3.28Å; N567-S569 VanDerWaalsContact C-N 3.26Å; N567-S569 PolarHBondContact O-N 3.4Å; N567-D570 HydrophobicContact CB-CB 4.11Å; N567-D570 PolarHBondContact O-N 3.29Å; N567-A571 WeakPolarHBondContact O-CB 3.35Å; N567-A571 PolarHBondContact O-N 3.33Å | ||
| 568 | L | 83.8 | Confident | 79.7 | Confident | 60 Ų | 60 | 55.3 Ų | 55.3 | 31% | 0.314 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.8 | -34.1 | -172.6 | -69.5 | 174.5 | 0 | 0 | 0 | 113.1 | D520 I563 F566 I572 I585 | D520-L568 PolarHBondContact OD2-N 3.49Å; I563-L568 HydrophobicContact CG2-CD1 3.77Å; F566-L568 HydrophobicContact CB-CD2 4.26Å; F566-L568 HydrophobicContact CB-CG 4.41Å; F566-L568 PolarHBondContact O-N 2.91Å; L568-I572 VanDerWaalsContact O-CB 3.31Å; L568-I572 WeakPolarHBondContact O-CB 3.29Å; L568-I572 VanDerWaalsContact O-CG1 3.27Å; L568-I572 WeakPolarHBondContact O-CG1 3.29Å; L568-I572 PolarHBondContact O-N 3.19Å; L568-I585 HydrophobicContact CD2-CD1 3.68Å; L568-I585 HydrophobicContact CD2-CG1 4.44Å |
| 569 | S | 87.4 | Confident | 80.4 | Confident | 31 Ų | 31 | 52.7 Ų | 52.7 | 22% | 0.217 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.5 | -44 | 178.5 | -43.3 | 0 | 0 | 0 | 0 | 110.2 | D520 N567 L573 | D520-S569 WeakPolarHBondContact OD1-CB 3.19Å; D520-S569 PolarHBondContact OD1-N 2.88Å; D520-S569 PolarHBondContact OD1-OG 2.77Å; D520-S569 WeakPolarHBondContact OD2-CA 3.22Å; D520-S569 VanDerWaalsContact OD2-CB 3.32Å; D520-S569 WeakPolarHBondContact OD2-CB 3.45Å; D520-S569 PolarHBondContact OD2-N 2.86Å; N567-S569 VanDerWaalsContact C-N 3.26Å; N567-S569 PolarHBondContact O-N 3.4Å; S569-L573 WeakPolarHBondContact O-CB 3.47Å; S569-L573 PolarHBondContact O-N 3.27Å |
| 570 | D | 90.7 | Very high | 81.2 | Confident | 12 Ų | 12 | 50.5 Ų | 50.5 | 6% | 0.064 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 174.2 | -167.1 | 37.6 | 0 | 0 | 0 | 112.3 | R517 D520 N567 T574 R575 | R517-D570 HydrophobicContact CB-CB 3.95Å; R517-D570 HydrophobicContact CG-CB 4.39Å; R517-D570 IonicContact NH1-OD2 2.83Å; R517-D570 PolarHBondContact NH1-OD2 2.84Å; D520-D570 PolarHBondContact OD2-N 3.24Å; N567-D570 HydrophobicContact CB-CB 4.11Å; N567-D570 PolarHBondContact O-N 3.29Å; D570-T574 WeakPolarHBondContact O-CA 3.13Å; D570-T574 WeakPolarHBondContact O-CB 3.49Å; D570-T574 PolarHBondContact O-N 3.03Å; D570-T574 PolarHBondContact O-OG1 3.32Å; D570-T574 WeakPolarHBondContact OD1-CB 3.38Å; D570-T574 PolarHBondContact OD1-OG1 2.89Å; D570-T574 VanDerWaalsContact OD1-OG1 3.05Å; D570-R575 PolarHBondContact O-N 3.46Å |
| 571 | A | 88.2 | Confident | 81.9 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.4 | -56 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | N567 R575 C576 A584 I585 | N567-A571 WeakPolarHBondContact O-CB 3.35Å; N567-A571 PolarHBondContact O-N 3.33Å; A571-R575 PolarHBondContact O-N 3.44Å; A571-C576 VanDerWaalsContact O-CB 3.26Å; A571-C576 WeakPolarHBondContact O-CB 3.42Å; A571-C576 PolarHBondContact O-N 3.1Å; A571-C576 PolarHBondContact O-SG 2.84Å; A571-A584 HydrophobicContact CB-CB 4.18Å; A571-A584 WeakPolarHBondContact CB-O 3.49Å; A571-I585 HydrophobicContact CB-CG1 3.94Å |
| 572 | I | 90.4 | Very high | 82.3 | Confident | 24 Ų | 24 | 47.4 Ų | 47.4 | 12% | 0.123 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -75 | -47.5 | -172.9 | -62.2 | 170.3 | 0 | 0 | 0 | 111.7 | L568 C576 L761 R762 A765 | L568-I572 VanDerWaalsContact O-CB 3.31Å; L568-I572 WeakPolarHBondContact O-CB 3.29Å; L568-I572 VanDerWaalsContact O-CG1 3.27Å; L568-I572 WeakPolarHBondContact O-CG1 3.29Å; L568-I572 PolarHBondContact O-N 3.19Å; I572-C576 WeakPolarHBondContact O-CB 3.49Å; I572-L761 HydrophobicContact CD1-CD2 4.32Å; I572-L761 HydrophobicContact CG1-CD2 4.17Å; I572-L761 HydrophobicContact CG2-CG 4.32Å; I572-R762 WeakPolarHBondContact O-CB 3.45Å; I572-R762 WeakPolarHBondContact O-CG 3.37Å; I572-A765 HydrophobicContact CG2-CB 3.48Å; I572-A765 VanDerWaalsContact CG2-CB 3.48Å |
| 573 | L | 92.1 | Very high | 82.8 | Confident | 30 Ų | 30 | 48.2 Ų | 48.2 | 16% | 0.157 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -83.1 | -29.2 | -172.5 | -63 | 172.2 | 0 | 0 | 0 | 113.3 | L508 P516 S569 A765 K766 V769 | L508-L573 HydrophobicContact CB-CD1 4.43Å; L508-L573 HydrophobicContact CD2-CD1 3.84Å; P516-L573 HydrophobicContact CB-CB 4.48Å; P516-L573 HydrophobicContact CB-CD1 4.47Å; P516-L573 HydrophobicContact CG-CB 4.19Å; P516-L573 HydrophobicContact CG-CD1 4.31Å; S569-L573 WeakPolarHBondContact O-CB 3.47Å; S569-L573 PolarHBondContact O-N 3.27Å; L573-A765 HydrophobicContact CD2-CB 3.89Å; L573-K766 HydrophobicContact CD2-CB 4.39Å; L573-V769 HydrophobicContact CD1-CG2 4.2Å; L573-V769 HydrophobicContact CD2-CG2 4.21Å |
| 574 | T | 91.3 | Very high | 83.6 | Confident | 63 Ų | 63 | 44.5 Ų | 44.5 | 39% | 0.387 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -63.9 | -175.3 | -38.9 | 0 | 0 | 0 | 0 | 112 | D570 C576 E577 | D570-T574 WeakPolarHBondContact O-CA 3.13Å; D570-T574 WeakPolarHBondContact O-CB 3.49Å; D570-T574 PolarHBondContact O-N 3.03Å; D570-T574 PolarHBondContact O-OG1 3.32Å; D570-T574 WeakPolarHBondContact OD1-CB 3.38Å; D570-T574 PolarHBondContact OD1-OG1 2.89Å; D570-T574 VanDerWaalsContact OD1-OG1 3.05Å; T574-C576 PolarHBondContact O-N 3.35Å; T574-E577 WeakPolarHBondContact O-CB 3.44Å; T574-E577 PolarHBondContact O-N 2.92Å |
| 575 | R | 90.5 | Very high | 84 | Confident | 67 Ų | 67 | 44.2 Ų | 44.2 | 25% | 0.253 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -71.9 | -37.3 | -166 | -64 | -179.1 | 68.8 | -163.2 | -0.4 | 112.9 | D570 A571 E577 N578 E579 E583 A584 | D570-R575 PolarHBondContact O-N 3.46Å; A571-R575 PolarHBondContact O-N 3.44Å; R575-E577 PolarHBondContact O-N 3.37Å; R575-N578 PolarHBondContact O-N 2.91Å; R575-E579 IonicContact CZ-OE2 3.1Å; R575-E579 IonicContact NE-OE1 2.63Å; R575-E579 PolarHBondContact NE-OE1 3.29Å; R575-E579 IonicContact NE-OE2 2.94Å; R575-E579 PolarHBondContact NE-OE2 3.08Å; R575-E579 IonicContact NH2-OE1 2.87Å; R575-E579 IonicContact NH2-OE2 2.88Å; R575-E579 PolarHBondContact NH2-OE2 2.91Å; R575-E579 WeakPolarHBondContact O-CB 3.2Å; R575-E579 PolarHBondContact O-N 3.42Å; R575-E583 PolarHBondContact NH1-O 3.49Å; R575-E583 PolarHBondContact NH2-O 3.07Å; R575-A584 HydrophobicContact CB-CB 3.83Å; R575-A584 PolarHBondContact NH1-O 2.83Å |
| 576 | C | 91.4 | Very high | 83.5 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -63.6 | 1.7 | 177.8 | -78.2 | 0 | 0 | 0 | 0 | 115.8 | A571 I572 T574 C758 Q759 R762 | A571-C576 VanDerWaalsContact O-CB 3.26Å; A571-C576 WeakPolarHBondContact O-CB 3.42Å; A571-C576 PolarHBondContact O-N 3.1Å; A571-C576 PolarHBondContact O-SG 2.84Å; I572-C576 WeakPolarHBondContact O-CB 3.49Å; T574-C576 PolarHBondContact O-N 3.35Å; C576-C758 HydrophobicContact CB-CB 3.4Å; C576-C758 WeakPolarHBondContact CB-SG 3.38Å; C576-C758 WeakPolarHBondContact SG-CB 2.86Å; C576-C758 CovalentContact SG-SG 1.99Å; C576-C758 PolarHBondContact SG-SG 3.43Å; C576-Q759 WeakPolarHBondContact O-CA 3.49Å; C576-R762 HydrophobicContact CB-CB 4.08Å |
| 577 | E | 89 | Confident | 82.8 | Confident | 95 Ų | 95 | 44.4 Ų | 44.4 | 44% | 0.444 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -71 | -40.1 | 166.6 | -176.8 | 155.4 | -119.6 | 0 | 0 | 112.3 | T574 R575 R762 | T574-E577 WeakPolarHBondContact O-CB 3.44Å; T574-E577 PolarHBondContact O-N 2.92Å; R575-E577 PolarHBondContact O-N 3.37Å; E577-R762 VanDerWaalsContact CD-NH1 3.32Å; E577-R762 IonicContact OE1-CZ 3.86Å; E577-R762 IonicContact OE1-NH1 3.27Å; E577-R762 PolarHBondContact OE1-NH1 3.05Å; E577-R762 IonicContact OE1-NH2 2.81Å; E577-R762 PolarHBondContact OE1-NH2 3.46Å; E577-R762 IonicContact OE2-NH1 2.78Å |
| 578 | N | 86.8 | Confident | 81.3 | Confident | 145 Ų | 145 | 42.6 Ų | 42.6 | 78% | 0.775 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -126.7 | -10 | -173.7 | -59.4 | -52.3 | 0 | 0 | 0 | 113.4 | R575 | R575-N578 PolarHBondContact O-N 2.91Š|
| 579 | E | 85.5 | Confident | 80.2 | Confident | 59 Ų | 59 | 44 Ų | 44 | 28% | 0.276 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -114.1 | 145.3 | -175.5 | -60.8 | 177.5 | -157.4 | 0 | 0 | 111.9 | R575 A584 | R575-E579 IonicContact CZ-OE2 3.1Å; R575-E579 IonicContact NE-OE1 2.63Å; R575-E579 PolarHBondContact NE-OE1 3.29Å; R575-E579 IonicContact NE-OE2 2.94Å; R575-E579 PolarHBondContact NE-OE2 3.08Å; R575-E579 IonicContact NH2-OE1 2.87Å; R575-E579 IonicContact NH2-OE2 2.88Å; R575-E579 PolarHBondContact NH2-OE2 2.91Å; R575-E579 WeakPolarHBondContact O-CB 3.2Å; R575-E579 PolarHBondContact O-N 3.42Å; E579-A584 HydrophobicContact CB-CB 4.47Å |
| 580 | P | 80.2 | Confident | 79 | Confident | 24 Ų | 24 | 44.8 Ų | 44.8 | 16% | 0.156 | 23% | 0.232 | C | C | . | . | trans | -61.3 | 155.2 | 167.9 | -21.2 | 32.9 | 0 | 0 | 0 | 112.5 | V582 E583 A584 H754 | P580-V582 VanDerWaalsContact C-N 3.32Å; P580-V582 PolarHBondContact O-N 3.35Å; P580-E583 PolarHBondContact O-N 3.12Å; P580-E583 VanDerWaalsContact O-N 3.12Å; P580-A584 WeakPolarHBondContact O-CB 3.39Å; P580-A584 PolarHBondContact O-N 3.23Å; P580-H754 WeakPolarHBondContact CB-O 3.3Å; P580-H754 WeakPolarHBondContact CG-O 3.28Å | ||
| 581 | F | 80.3 | Confident | 77.5 | Confident | 15 Ų | 15 | 44.8 Ų | 44.8 | 7% | 0.066 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.3 | -42.2 | -173.5 | -178.1 | -93.7 | 0 | 0 | 0 | 113.4 | M199 F388 E583 A584 I585 I756 C758 L761 | M199-F581 HydrophobicContact CE-CB 4.27Å; M199-F581 HydrophobicContact CE-CD2 3.76Å; M199-F581 HydrophobicContact CE-CE2 4.42Å; M199-F581 HydrophobicContact CE-CG 4.24Å; M199-F581 HydrophobicContact SD-CD2 4.11Å; M199-F581 HydrophobicContact SD-CE2 4.36Å; M199-F581 HydrophobicContact SD-CG 4.47Å; F388-F581 HydrophobicContact CD1-CE1 4.46Å; F388-F581 AromaticContact CE1-CD1 3.61Å; F388-F581 HydrophobicContact CE1-CD1 3.61Å; F388-F581 AromaticContact CE1-CE1 3.19Å; F388-F581 HydrophobicContact CE1-CE1 3.19Å; F388-F581 AromaticContact CE1-CZ 3.86Å; F388-F581 HydrophobicContact CE1-CZ 3.86Å; F388-F581 HydrophobicContact CE2-CE1 4.46Å; F388-F581 AromaticContact CZ-CD1 3.49Å; F388-F581 HydrophobicContact CZ-CD1 3.49Å; F388-F581 VanDerWaalsContact CZ-CD1 3.49Å; F388-F581 AromaticContact CZ-CE1 3.21Å; F388-F581 HydrophobicContact CZ-CE1 3.21Å; F388-F581 HydrophobicContact CZ-CZ 4.26Å; F581-E583 VanDerWaalsContact C-N 3.32Å; F581-E583 PolarHBondContact O-N 3.31Å; F581-A584 PolarHBondContact O-N 2.9Å; F581-I585 HydrophobicContact CD1-CD1 4.14Å; F581-I585 HydrophobicContact CD1-CG1 4.43Å; F581-I585 HydrophobicContact CD2-CD1 4.27Å; F581-I585 HydrophobicContact CE1-CD1 3.35Å; F581-I585 HydrophobicContact CE1-CG1 4.09Å; F581-I585 HydrophobicContact CE2-CD1 3.52Å; F581-I585 HydrophobicContact CE2-CG1 4.19Å; F581-I585 HydrophobicContact CZ-CD1 3.03Å; F581-I585 HydrophobicContact CZ-CG1 4.03Å; F581-I585 PolarHBondContact O-N 3.48Å; F581-I756 HydrophobicContact CB-CG2 4.2Å; F581-I756 PolarHBondContact N-O 3.25Å; F581-C758 HydrophobicContact CB-CB 4.05Å; F581-C758 VanDerWaalsContact CD2-SG 3.55Å; F581-L761 HydrophobicContact CD2-CD2 3.99Å; F581-L761 HydrophobicContact CE2-CD2 3.63Å |
| 582 | V | 75.2 | Confident | 76.4 | Confident | 11 Ų | 11 | 47 Ų | 47 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.2 | -29.1 | -177.8 | 177.6 | 0 | 0 | 0 | 0 | 112.6 | P580 I750 W753 | P580-V582 VanDerWaalsContact C-N 3.32Å; P580-V582 PolarHBondContact O-N 3.35Å; V582-I750 HydrophobicContact CG1-CG2 4.11Å; V582-W753 HydrophobicContact CG2-CB 3.75Å; V582-W753 HydrophobicContact CG2-CE3 3.87Å |
| 583 | E | 76.4 | Confident | 75.1 | Confident | 97 Ų | 97 | 50.2 Ų | 50.2 | 45% | 0.453 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -77.6 | -40.2 | 174.7 | -170.9 | 165.6 | -176.6 | 0 | 0 | 110.8 | R575 P580 F581 I585 H754 | R575-E583 PolarHBondContact NH1-O 3.49Å; R575-E583 PolarHBondContact NH2-O 3.07Å; P580-E583 PolarHBondContact O-N 3.12Å; P580-E583 VanDerWaalsContact O-N 3.12Å; F581-E583 VanDerWaalsContact C-N 3.32Å; F581-E583 PolarHBondContact O-N 3.31Å; E583-I585 PolarHBondContact O-N 2.93Å; E583-H754 IonicContact OE2-CE1 3.47Å |
| 584 | A | 81.3 | Confident | 73.6 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A571 R575 E579 P580 F581 S586 | A571-A584 HydrophobicContact CB-CB 4.18Å; A571-A584 WeakPolarHBondContact CB-O 3.49Å; R575-A584 HydrophobicContact CB-CB 3.83Å; R575-A584 PolarHBondContact NH1-O 2.83Å; E579-A584 HydrophobicContact CB-CB 4.47Å; P580-A584 WeakPolarHBondContact O-CB 3.39Å; P580-A584 PolarHBondContact O-N 3.23Å; F581-A584 PolarHBondContact O-N 2.9Å; A584-S586 PolarHBondContact O-N 3.18Å |
| 585 | I | 76.2 | Confident | 72.3 | Confident | 12 Ų | 12 | 48.8 Ų | 48.8 | 6% | 0.062 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 94.6 | 174.3 | -63 | -159.7 | 0 | 0 | 0 | 109.9 | F566 L568 A571 F581 E583 T587 F590 | F566-I585 HydrophobicContact CB-CG2 3.98Å; F566-I585 HydrophobicContact CD1-CG2 4.44Å; F566-I585 HydrophobicContact CG-CG2 4.13Å; L568-I585 HydrophobicContact CD2-CD1 3.68Å; L568-I585 HydrophobicContact CD2-CG1 4.44Å; A571-I585 HydrophobicContact CB-CG1 3.94Å; F581-I585 HydrophobicContact CD1-CD1 4.14Å; F581-I585 HydrophobicContact CD1-CG1 4.43Å; F581-I585 HydrophobicContact CD2-CD1 4.27Å; F581-I585 HydrophobicContact CE1-CD1 3.35Å; F581-I585 HydrophobicContact CE1-CG1 4.09Å; F581-I585 HydrophobicContact CE2-CD1 3.52Å; F581-I585 HydrophobicContact CE2-CG1 4.19Å; F581-I585 HydrophobicContact CZ-CD1 3.03Å; F581-I585 HydrophobicContact CZ-CG1 4.03Å; F581-I585 PolarHBondContact O-N 3.48Å; E583-I585 PolarHBondContact O-N 2.93Å; I585-T587 PolarHBondContact O-N 3.21Å; I585-F590 HydrophobicContact CG2-CB 4.32Å |
| 586 | S | 61.7 | Low | 71.4 | Confident | 21 Ų | 21 | 48.6 Ų | 48.6 | 15% | 0.147 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | 34.9 | 80.6 | 159.8 | 178.1 | 0 | 0 | 0 | 0 | 116.6 | A584 G588 E589 | A584-S586 PolarHBondContact O-N 3.18Å; S586-G588 PolarHBondContact O-N 3.12Å; S586-E589 PolarHBondContact O-N 3.44Å |
| 587 | T | 56.6 | Low | 70.3 | Confident | 120 Ų | 120 | 54.6 Ų | 54.6 | 74% | 0.736 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | 36.3 | 26.8 | 162.4 | 62.9 | 0 | 0 | 0 | 0 | 118.1 | I585 E589 | I585-T587 PolarHBondContact O-N 3.21Å; T587-E589 VanDerWaalsContact C-N 3.26Å; T587-E589 PolarHBondContact O-N 2.99Å |
| 588 | G | 52.8 | Low | 69.3 | Low | 6 Ų | 6 | 50.9 Ų | 50.9 | 6% | 0.062 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | 69.3 | 4.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | S586 F590 V591 S592 | S586-G588 PolarHBondContact O-N 3.12Å; G588-F590 PolarHBondContact O-N 3.28Å; G588-V591 PolarHBondContact O-N 3.18Å; G588-S592 PolarHBondContact O-N 2.79Å |
| 589 | E | 61.2 | Low | 68.7 | Low | 88 Ų | 88 | 44.1 Ų | 44.1 | 41% | 0.411 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -34.5 | 177 | -82.7 | -169.2 | 165.4 | 0 | 0 | 111.1 | R565 S586 T587 V591 S592 | R565-E589 IonicContact CZ-OE2 3.35Å; R565-E589 VanDerWaalsContact CZ-OE2 3.27Å; R565-E589 IonicContact NE-OE2 3.42Å; R565-E589 PolarHBondContact NE-OE2 3.47Å; R565-E589 IonicContact NH2-OE1 2.64Å; R565-E589 PolarHBondContact NH2-OE1 2.98Å; R565-E589 VanDerWaalsContact NH2-OE1 3.17Å; R565-E589 IonicContact NH2-OE2 2.76Å; R565-E589 PolarHBondContact NH2-OE2 3.28Å; S586-E589 PolarHBondContact O-N 3.44Å; T587-E589 VanDerWaalsContact C-N 3.26Å; T587-E589 PolarHBondContact O-N 2.99Å; E589-V591 VanDerWaalsContact C-N 3.26Å; E589-V591 PolarHBondContact O-N 3.4Å; E589-S592 WeakPolarHBondContact O-CB 3.49Å; E589-S592 PolarHBondContact O-N 2.94Å |
| 590 | F | 61.4 | Low | 68.5 | Low | 48 Ų | 48 | 44.4 Ų | 44.4 | 21% | 0.211 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -33.8 | 176.6 | 179.7 | -113.7 | 0 | 0 | 0 | 113.5 | V387 I391 F566 I585 G588 | V387-F590 HydrophobicContact CG1-CE1 3.59Å; V387-F590 HydrophobicContact CG1-CZ 3.49Å; V387-F590 VanDerWaalsContact CG1-CZ 3.49Å; I391-F590 HydrophobicContact CD1-CE1 3.74Å; I391-F590 HydrophobicContact CD1-CE2 4.27Å; I391-F590 HydrophobicContact CD1-CZ 3.29Å; I391-F590 HydrophobicContact CG1-CZ 4.34Å; F566-F590 HydrophobicContact CD1-CB 4.24Å; F566-F590 HydrophobicContact CD2-CD2 4.03Å; F566-F590 HydrophobicContact CE1-CB 3.72Å; F566-F590 HydrophobicContact CE1-CD2 4.25Å; F566-F590 HydrophobicContact CE1-CG 4.44Å; F566-F590 HydrophobicContact CE2-CB 4.21Å; F566-F590 AromaticContact CE2-CD2 3.24Å; F566-F590 HydrophobicContact CE2-CD2 3.24Å; F566-F590 AromaticContact CE2-CE2 3.96Å; F566-F590 HydrophobicContact CE2-CE2 3.96Å; F566-F590 HydrophobicContact CE2-CG 4.05Å; F566-F590 HydrophobicContact CZ-CB 3.73Å; F566-F590 AromaticContact CZ-CD2 3.4Å; F566-F590 HydrophobicContact CZ-CD2 3.4Å; F566-F590 HydrophobicContact CZ-CE2 4.43Å; F566-F590 HydrophobicContact CZ-CG 4.01Å; I585-F590 HydrophobicContact CG2-CB 4.32Å; G588-F590 PolarHBondContact O-N 3.28Å |
| 591 | V | 59.8 | Low | 68.4 | Low | 12 Ų | 12 | 45.6 Ų | 45.6 | 7% | 0.073 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -22.6 | -175.7 | 176.1 | 0 | 0 | 0 | 0 | 112.1 | L384 G588 E589 V594 L595 | L384-V591 HydrophobicContact CD1-CG1 3.48Å; L384-V591 VanDerWaalsContact CD1-CG1 3.48Å; G588-V591 PolarHBondContact O-N 3.18Å; E589-V591 VanDerWaalsContact C-N 3.26Å; E589-V591 PolarHBondContact O-N 3.4Å; V591-V594 PolarHBondContact O-N 3.34Å; V591-L595 HydrophobicContact CG1-CB 4.2Å; V591-L595 HydrophobicContact CG1-CD2 4.4Å; V591-L595 WeakPolarHBondContact O-CB 3.47Å; V591-L595 PolarHBondContact O-N 3.3Å; V591-L595 VanDerWaalsContact O-N 3.16Å |
| 592 | S | 63.6 | Low | 68.1 | Low | 48 Ų | 48 | 45.9 Ų | 45.9 | 34% | 0.336 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -55.5 | -47.4 | -171.4 | -175.4 | 0 | 0 | 0 | 0 | 114.8 | G588 E589 V594 L595 S596 | G588-S592 PolarHBondContact O-N 2.79Å; E589-S592 WeakPolarHBondContact O-CB 3.49Å; E589-S592 PolarHBondContact O-N 2.94Å; S592-V594 PolarHBondContact O-N 3Å; S592-L595 PolarHBondContact O-N 2.99Å; S592-S596 WeakPolarHBondContact O-CB 3.29Å; S592-S596 PolarHBondContact O-N 3.09Å |
| 593 | P | 63.1 | Low | 68.5 | Low | 91 Ų | 91 | 45.5 Ų | 45.5 | 59% | 0.591 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.3 | -40.7 | -176.5 | -22.4 | 33.9 | 0 | 0 | 0 | 113.2 | S596 | P593-S596 PolarHBondContact O-OG 3.5Å |
| 594 | V | 60.5 | Low | 68.8 | Low | 54 Ų | 54 | 44.1 Ų | 44.1 | 33% | 0.327 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -75.6 | -37.3 | -175.8 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | K383 V387 V591 S592 S596 | K383-V594 WeakPolarHBondContact O-CG1 3.25Å; V387-V594 HydrophobicContact CG2-CB 3.94Å; V387-V594 HydrophobicContact CG2-CG1 3.62Å; V387-V594 HydrophobicContact CG2-CG2 3.63Å; V591-V594 PolarHBondContact O-N 3.34Å; S592-V594 PolarHBondContact O-N 3Å; V594-S596 VanDerWaalsContact C-N 3.32Å |
| 595 | L | 65.7 | Low | 68.8 | Low | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -77.2 | -21.4 | -179.1 | -177.9 | 59.9 | 0 | 0 | 0 | 113.1 | T380 V591 S592 E597 A598 I599 V749 | T380-L595 HydrophobicContact CG2-CD1 4.07Å; V591-L595 HydrophobicContact CG1-CB 4.2Å; V591-L595 HydrophobicContact CG1-CD2 4.4Å; V591-L595 WeakPolarHBondContact O-CB 3.47Å; V591-L595 PolarHBondContact O-N 3.3Å; V591-L595 VanDerWaalsContact O-N 3.16Å; S592-L595 PolarHBondContact O-N 2.99Å; L595-E597 PolarHBondContact O-N 2.91Å; L595-E597 VanDerWaalsContact O-N 3.15Å; L595-A598 HydrophobicContact CD1-CB 4.1Å; L595-A598 PolarHBondContact O-N 2.77Å; L595-A598 VanDerWaalsContact O-N 3.1Å; L595-I599 HydrophobicContact CD1-CD1 4.25Å; L595-I599 HydrophobicContact CD1-CG1 4Å; L595-I599 HydrophobicContact CD2-CD1 3.55Å; L595-I599 HydrophobicContact CD2-CG1 4.24Å; L595-I599 HydrophobicContact CG-CD1 3.52Å; L595-I599 HydrophobicContact CG-CG1 3.75Å; L595-I599 PolarHBondContact O-N 3.49Å; L595-V749 HydrophobicContact CD1-CB 4.2Å; L595-V749 HydrophobicContact CD1-CG1 3.96Å; L595-V749 HydrophobicContact CD1-CG2 3.74Å; L595-V749 HydrophobicContact CD2-CB 3.37Å; L595-V749 HydrophobicContact CD2-CG1 3.54Å; L595-V749 HydrophobicContact CD2-CG2 3.65Å; L595-V749 HydrophobicContact CG-CB 4.4Å; L595-V749 HydrophobicContact CG-CG1 4.33Å; L595-V749 HydrophobicContact CG-CG2 4.3Å |
| 596 | S | 70.5 | Confident | 69 | Low | 63 Ų | 63 | 45.9 Ų | 45.9 | 44% | 0.441 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -52.1 | -39.2 | -178.3 | 70.5 | 0 | 0 | 0 | 0 | 113 | S592 P593 V594 D600 | S592-S596 WeakPolarHBondContact O-CB 3.29Å; S592-S596 PolarHBondContact O-N 3.09Å; P593-S596 PolarHBondContact O-OG 3.5Å; V594-S596 VanDerWaalsContact C-N 3.32Å; S596-D600 VanDerWaalsContact O-CB 3.27Å; S596-D600 WeakPolarHBondContact O-CB 3.48Å; S596-D600 PolarHBondContact O-N 3.05Å |
| 597 | E | 68.1 | Low | 70.1 | Confident | 128 Ų | 128 | 45.5 Ų | 45.5 | 60% | 0.598 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -69.7 | -43.9 | 179.7 | -165.2 | -160.2 | 154.7 | 0 | 0 | 112.2 | K383 L595 D600 G601 | K383-E597 IonicContact NZ-OE1 3.19Å; K383-E597 PolarHBondContact NZ-OE1 2.66Å; K383-E597 IonicContact NZ-OE2 2.81Å; K383-E597 PolarHBondContact NZ-OE2 2.79Å; L595-E597 PolarHBondContact O-N 2.91Å; L595-E597 VanDerWaalsContact O-N 3.15Å; E597-D600 PolarHBondContact O-N 2.63Å; E597-G601 PolarHBondContact O-N 2.97Å |
| 598 | A | 67.6 | Low | 71.5 | Confident | 18 Ų | 18 | 44.8 Ų | 44.8 | 15% | 0.149 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.2 | -39.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T380 L595 I602 | T380-A598 HydrophobicContact CG2-CB 4.26Å; L595-A598 HydrophobicContact CD1-CB 4.1Å; L595-A598 PolarHBondContact O-N 2.77Å; L595-A598 VanDerWaalsContact O-N 3.1Å; A598-I602 WeakPolarHBondContact O-CG1 3.46Å; A598-I602 PolarHBondContact O-N 3.42Å |
| 599 | I | 76.2 | Confident | 73.1 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.5 | -45.3 | 174.6 | -70.7 | 180 | 0 | 0 | 0 | 111 | L595 G601 I602 L603 T742 L745 Q746 | L595-I599 HydrophobicContact CD1-CD1 4.25Å; L595-I599 HydrophobicContact CD1-CG1 4Å; L595-I599 HydrophobicContact CD2-CD1 3.55Å; L595-I599 HydrophobicContact CD2-CG1 4.24Å; L595-I599 HydrophobicContact CG-CD1 3.52Å; L595-I599 HydrophobicContact CG-CG1 3.75Å; L595-I599 PolarHBondContact O-N 3.49Å; I599-G601 VanDerWaalsContact C-N 3.3Å; I599-G601 PolarHBondContact O-N 3.41Å; I599-I602 PolarHBondContact O-N 2.95Å; I599-L603 VanDerWaalsContact O-CB 3.23Å; I599-L603 WeakPolarHBondContact O-CB 3.01Å; I599-L603 PolarHBondContact O-N 3.06Å; I599-T742 HydrophobicContact CG2-CG2 4.16Å; I599-L745 HydrophobicContact CD1-CB 3.95Å; I599-L745 HydrophobicContact CG1-CB 4.02Å; I599-L745 HydrophobicContact CG2-CB 4.15Å; I599-L745 HydrophobicContact CG2-CD1 3.98Å; I599-Q746 HydrophobicContact CD1-CB 4.13Å; I599-Q746 HydrophobicContact CD1-CG 3.37Å |
| 600 | D | 80.2 | Confident | 74.2 | Confident | 64 Ų | 64 | 41.5 Ų | 41.5 | 34% | 0.342 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64 | -38.3 | -179.7 | -164.1 | 65.7 | 0 | 0 | 0 | 110.9 | S596 E597 I602 L603 Q604 R738 | S596-D600 VanDerWaalsContact O-CB 3.27Å; S596-D600 WeakPolarHBondContact O-CB 3.48Å; S596-D600 PolarHBondContact O-N 3.05Å; E597-D600 PolarHBondContact O-N 2.63Å; D600-I602 PolarHBondContact O-N 3.04Å; D600-L603 PolarHBondContact O-N 3.19Å; D600-Q604 WeakPolarHBondContact O-CB 3.23Å; D600-Q604 WeakPolarHBondContact O-CG 3.13Å; D600-Q604 PolarHBondContact O-N 2.7Å; D600-R738 IonicContact OD1-CZ 3.51Å; D600-R738 IonicContact OD1-NH2 3.73Å; D600-R738 PolarHBondContact OD1-NH2 3.03Å |
| 601 | G | 77.4 | Confident | 75.3 | Confident | 49 Ų | 49 | 44.5 Ų | 44.5 | 51% | 0.505 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.6 | -46.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E597 I599 Q604 G605 | E597-G601 PolarHBondContact O-N 2.97Å; I599-G601 VanDerWaalsContact C-N 3.3Å; I599-G601 PolarHBondContact O-N 3.41Å; G601-Q604 PolarHBondContact O-N 3.4Å; G601-G605 PolarHBondContact O-N 2.68Å |
| 602 | I | 75.7 | Confident | 76.6 | Confident | 22 Ų | 22 | 51.3 Ų | 51.3 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 176.8 | -68.3 | 166.8 | 0 | 0 | 0 | 110.8 | A370 L374 A598 I599 D600 Q604 G605 L606 L745 | A370-I602 HydrophobicContact CB-CG2 3.8Å; L374-I602 HydrophobicContact CB-CD1 3.78Å; L374-I602 HydrophobicContact CD1-CD1 3.68Å; L374-I602 HydrophobicContact CG-CD1 4.26Å; A598-I602 WeakPolarHBondContact O-CG1 3.46Å; A598-I602 PolarHBondContact O-N 3.42Å; I599-I602 PolarHBondContact O-N 2.95Å; D600-I602 PolarHBondContact O-N 3.04Å; I602-Q604 VanDerWaalsContact C-N 3.35Å; I602-Q604 PolarHBondContact O-N 3.02Å; I602-G605 PolarHBondContact O-N 3.23Å; I602-L606 HydrophobicContact CG2-CD1 4.32Å; I602-L606 WeakPolarHBondContact O-CG 3.34Å; I602-L606 PolarHBondContact O-N 3.17Å; I602-L745 HydrophobicContact CG2-CD1 4.24Å |
| 603 | L | 81.6 | Confident | 77.7 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63 | -42 | -179.7 | -172.2 | 59.6 | 0 | 0 | 0 | 111.6 | I599 D600 L606 I607 R738 L741 T742 | I599-L603 VanDerWaalsContact O-CB 3.23Å; I599-L603 WeakPolarHBondContact O-CB 3.01Å; I599-L603 PolarHBondContact O-N 3.06Å; D600-L603 PolarHBondContact O-N 3.19Å; L603-L606 PolarHBondContact O-N 3.39Å; L603-I607 HydrophobicContact CD1-CD1 4.46Å; L603-I607 HydrophobicContact CG-CD1 4.07Å; L603-I607 WeakPolarHBondContact O-CB 3.48Å; L603-I607 WeakPolarHBondContact O-CD1 3.17Å; L603-I607 WeakPolarHBondContact O-CG1 3.31Å; L603-I607 PolarHBondContact O-N 3.09Å; L603-R738 HydrophobicContact CD1-CG 4.12Å; L603-R738 HydrophobicContact CD2-CG 3.46Å; L603-R738 VanDerWaalsContact CD2-CG 3.46Å; L603-R738 HydrophobicContact CG-CG 3.99Å; L603-L741 HydrophobicContact CD1-CB 4.04Å; L603-L741 HydrophobicContact CD1-CD1 4.21Å; L603-T742 WeakPolarHBondContact CD2-OG1 3.47Å |
| 604 | Q | 83.5 | Confident | 78.9 | Confident | 69 Ų | 69 | 50.1 Ų | 50.1 | 32% | 0.322 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 174.2 | -68.5 | -64.9 | -6.1 | 0 | 0 | 111.4 | D600 G601 I602 L606 I607 E608 | D600-Q604 WeakPolarHBondContact O-CB 3.23Å; D600-Q604 WeakPolarHBondContact O-CG 3.13Å; D600-Q604 PolarHBondContact O-N 2.7Å; G601-Q604 PolarHBondContact O-N 3.4Å; I602-Q604 VanDerWaalsContact C-N 3.35Å; I602-Q604 PolarHBondContact O-N 3.02Å; Q604-L606 VanDerWaalsContact C-N 3.34Å; Q604-L606 PolarHBondContact O-N 3.4Å; Q604-I607 PolarHBondContact O-N 2.85Å; Q604-E608 WeakPolarHBondContact O-CB 3.36Å; Q604-E608 WeakPolarHBondContact O-CG 3.29Å; Q604-E608 PolarHBondContact O-N 2.98Å |
| 605 | G | 81.3 | Confident | 80.1 | Confident | 33 Ų | 33 | 48 Ų | 48 | 34% | 0.34 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.7 | -47.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G601 I602 E608 S609 | G601-G605 PolarHBondContact O-N 2.68Å; I602-G605 PolarHBondContact O-N 3.23Å; G605-E608 PolarHBondContact O-N 3.31Å; G605-S609 PolarHBondContact O-N 3.01Å; G605-S609 PolarHBondContact O-OG 2.57Å |
| 606 | L | 81.3 | Confident | 81.3 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 9% | 0.089 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 176.9 | -70.6 | 175.3 | 0 | 0 | 0 | 113 | F218 L367 A370 I602 L603 Q604 E608 S609 F610 | F218-L606 HydrophobicContact CE2-CD1 4.49Å; F218-L606 HydrophobicContact CZ-CD1 3.94Å; L367-L606 HydrophobicContact CD2-CD1 4.31Å; L367-L606 HydrophobicContact CD2-CD2 3.63Å; L367-L606 HydrophobicContact CG-CD2 4.17Å; A370-L606 HydrophobicContact CB-CD1 4.1Å; A370-L606 HydrophobicContact CB-CD2 3.67Å; A370-L606 HydrophobicContact CB-CG 3.89Å; I602-L606 HydrophobicContact CG2-CD1 4.32Å; I602-L606 WeakPolarHBondContact O-CG 3.34Å; I602-L606 PolarHBondContact O-N 3.17Å; L603-L606 PolarHBondContact O-N 3.39Å; Q604-L606 VanDerWaalsContact C-N 3.34Å; Q604-L606 PolarHBondContact O-N 3.4Å; L606-E608 VanDerWaalsContact C-N 3.33Å; L606-S609 PolarHBondContact O-N 3.06Å; L606-F610 WeakPolarHBondContact O-CB 3.25Å; L606-F610 PolarHBondContact O-N 3.24Å |
| 607 | I | 84.7 | Confident | 82.3 | Confident | 13 Ų | 13 | 49 Ų | 49 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 177.1 | -71.3 | 169.4 | 0 | 0 | 0 | 110.6 | L603 Q604 F610 K611 V734 R738 | L603-I607 HydrophobicContact CD1-CD1 4.46Å; L603-I607 HydrophobicContact CG-CD1 4.07Å; L603-I607 WeakPolarHBondContact O-CB 3.48Å; L603-I607 WeakPolarHBondContact O-CD1 3.17Å; L603-I607 WeakPolarHBondContact O-CG1 3.31Å; L603-I607 PolarHBondContact O-N 3.09Å; Q604-I607 PolarHBondContact O-N 2.85Å; I607-F610 PolarHBondContact O-N 3.13Å; I607-K611 HydrophobicContact CG2-CD 4.06Å; I607-K611 WeakPolarHBondContact O-CB 3.41Å; I607-K611 VanDerWaalsContact O-CG 3.29Å; I607-K611 WeakPolarHBondContact O-CG 3.27Å; I607-K611 PolarHBondContact O-N 2.94Å; I607-V734 HydrophobicContact CB-CG1 4.45Å; I607-V734 HydrophobicContact CD1-CG1 3.89Å; I607-V734 HydrophobicContact CG1-CG1 3.79Å; I607-V734 HydrophobicContact CG2-CG1 3.86Å; I607-V734 HydrophobicContact CG2-CG2 4.29Å; I607-R738 HydrophobicContact CD1-CG 4.39Å |
| 608 | E | 85.6 | Confident | 83.4 | Confident | 104 Ų | 104 | 44.7 Ų | 44.7 | 49% | 0.486 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65 | -43.5 | 175.3 | -75.8 | -174.4 | -171.6 | 0 | 0 | 112.1 | Q604 G605 L606 F610 K611 K612 | Q604-E608 WeakPolarHBondContact O-CB 3.36Å; Q604-E608 WeakPolarHBondContact O-CG 3.29Å; Q604-E608 PolarHBondContact O-N 2.98Å; G605-E608 PolarHBondContact O-N 3.31Å; L606-E608 VanDerWaalsContact C-N 3.33Å; E608-F610 VanDerWaalsContact C-N 3.34Å; E608-F610 PolarHBondContact O-N 3.31Å; E608-K611 PolarHBondContact O-N 2.85Å; E608-K612 VanDerWaalsContact O-CG 3.29Å; E608-K612 WeakPolarHBondContact O-CG 3.47Å; E608-K612 PolarHBondContact O-N 3.2Å; E608-K612 IonicContact OE2-NZ 2.63Å |
| 609 | S | 86 | Confident | 84.6 | Confident | 15 Ų | 15 | 44 Ų | 44 | 11% | 0.105 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.8 | -44.9 | 175.1 | -73.5 | 0 | 0 | 0 | 0 | 111.9 | D366 G605 L606 K611 K612 | D366-S609 PolarHBondContact OD1-OG 3.47Å; D366-S609 WeakPolarHBondContact OD2-CB 3.45Å; D366-S609 PolarHBondContact OD2-OG 3.49Å; G605-S609 PolarHBondContact O-N 3.01Å; G605-S609 PolarHBondContact O-OG 2.57Å; L606-S609 PolarHBondContact O-N 3.06Å; S609-K611 VanDerWaalsContact C-N 3.34Å; S609-K611 PolarHBondContact O-N 2.9Å; S609-K612 PolarHBondContact O-N 3.33Å |
| 610 | F | 84.7 | Confident | 85.4 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 174.1 | -168.7 | -104.9 | 0 | 0 | 0 | 110.8 | L226 F229 V359 I363 L606 I607 E608 K612 I613 M730 V734 | L226-F610 HydrophobicContact CD2-CE2 3.94Å; F229-F610 AromaticContact CD2-CZ 3.86Å; F229-F610 HydrophobicContact CD2-CZ 3.86Å; F229-F610 HydrophobicContact CE2-CE1 4.33Å; F229-F610 AromaticContact CE2-CZ 3.89Å; F229-F610 HydrophobicContact CE2-CZ 3.89Å; F229-F610 HydrophobicContact CG-CZ 4.18Å; F229-F610 HydrophobicContact CZ-CZ 4.25Å; V359-F610 HydrophobicContact CG1-CD2 4.11Å; V359-F610 HydrophobicContact CG1-CE2 3.63Å; I363-F610 HydrophobicContact CD1-CD2 4.41Å; L606-F610 WeakPolarHBondContact O-CB 3.25Å; L606-F610 PolarHBondContact O-N 3.24Å; I607-F610 PolarHBondContact O-N 3.13Å; E608-F610 VanDerWaalsContact C-N 3.34Å; E608-F610 PolarHBondContact O-N 3.31Å; F610-K612 VanDerWaalsContact C-N 3.27Å; F610-K612 PolarHBondContact O-N 3.06Å; F610-I613 HydrophobicContact CD2-CD1 4.11Å; F610-I613 WeakPolarHBondContact O-CB 2.98Å; F610-I613 WeakPolarHBondContact O-CD1 3.29Å; F610-I613 VanDerWaalsContact O-CG1 3.25Å; F610-I613 WeakPolarHBondContact O-CG1 3.43Å; F610-I613 PolarHBondContact O-N 2.86Å; F610-M730 HydrophobicContact CD1-CE 4Å; F610-M730 HydrophobicContact CD1-CG 3.74Å; F610-M730 HydrophobicContact CE1-CB 4.26Å; F610-M730 HydrophobicContact CE1-CE 4.2Å; F610-M730 HydrophobicContact CE1-CG 3.63Å; F610-M730 WeakPolarHBondContact O-CE 3.34Å; F610-V734 HydrophobicContact CD1-CG2 3.54Å; F610-V734 HydrophobicContact CE1-CG2 4.03Å; F610-V734 HydrophobicContact CG-CG2 4.4Å |
| 611 | K | 84 | Confident | 86.1 | Confident | 111 Ų | 111 | 53.2 Ų | 53.2 | 48% | 0.483 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.2 | -22.9 | -179.6 | -75.5 | 176 | 178.1 | 178 | 0 | 115.1 | I607 E608 S609 I613 M730 | I607-K611 HydrophobicContact CG2-CD 4.06Å; I607-K611 WeakPolarHBondContact O-CB 3.41Å; I607-K611 VanDerWaalsContact O-CG 3.29Å; I607-K611 WeakPolarHBondContact O-CG 3.27Å; I607-K611 PolarHBondContact O-N 2.94Å; E608-K611 PolarHBondContact O-N 2.85Å; S609-K611 VanDerWaalsContact C-N 3.34Å; S609-K611 PolarHBondContact O-N 2.9Å; K611-I613 VanDerWaalsContact C-N 3.32Å; K611-M730 HydrophobicContact CB-SD 4.27Å; K611-M730 HydrophobicContact CG-CG 4.38Å; K611-M730 HydrophobicContact CG-SD 4.05Å |
| 612 | K | 86.8 | Confident | 86.9 | Confident | 155 Ų | 155 | 51.5 Ų | 51.5 | 67% | 0.674 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -11.2 | 178.2 | -75.5 | 167.9 | -172.3 | 164.9 | 0 | 113.5 | E608 S609 F610 D614 | E608-K612 VanDerWaalsContact O-CG 3.29Å; E608-K612 WeakPolarHBondContact O-CG 3.47Å; E608-K612 PolarHBondContact O-N 3.2Å; E608-K612 IonicContact OE2-NZ 2.63Å; S609-K612 PolarHBondContact O-N 3.33Å; F610-K612 VanDerWaalsContact C-N 3.27Å; F610-K612 PolarHBondContact O-N 3.06Å; K612-D614 PolarHBondContact O-N 3.18Å |
| 613 | I | 87.2 | Confident | 87.8 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | trans | -68.2 | 125.1 | -177.8 | -55.9 | 170.7 | 0 | 0 | 0 | 110.3 | V359 I363 F610 K611 L615 | V359-I613 HydrophobicContact CB-CD1 4.39Å; V359-I613 HydrophobicContact CG1-CD1 3.7Å; V359-I613 HydrophobicContact CG2-CD1 4.47Å; I363-I613 HydrophobicContact CG2-CD1 3.52Å; I363-I613 HydrophobicContact CG2-CG1 4.06Å; F610-I613 HydrophobicContact CD2-CD1 4.11Å; F610-I613 WeakPolarHBondContact O-CB 2.98Å; F610-I613 WeakPolarHBondContact O-CD1 3.29Å; F610-I613 VanDerWaalsContact O-CG1 3.25Å; F610-I613 WeakPolarHBondContact O-CG1 3.43Å; F610-I613 PolarHBondContact O-N 2.86Å; K611-I613 VanDerWaalsContact C-N 3.32Å; I613-L615 HydrophobicContact CG2-CD2 3.67Å; I613-L615 HydrophobicContact CG2-CG 3.98Å; I613-L615 PolarHBondContact O-N 3.39Å; I613-L615 VanDerWaalsContact O-N 3.12Å | ||
| 614 | D | 88.1 | Confident | 88.5 | Confident | 91 Ų | 91 | 56.3 Ų | 56.3 | 49% | 0.487 | 27% | 0.272 | S | S | . | . | trans | -79.4 | 93.4 | 171.9 | 179.9 | 12.6 | 0 | 0 | 0 | 111.1 | K612 E616 S617 P618 | K612-D614 PolarHBondContact O-N 3.18Å; D614-E616 PolarHBondContact OD1-N 3.38Å; D614-E616 VanDerWaalsContact OD1-N 3.09Å; D614-S617 VanDerWaalsContact CG-OG 3.28Å; D614-S617 PolarHBondContact OD1-N 3.22Å; D614-S617 PolarHBondContact OD1-OG 3.45Å; D614-S617 WeakPolarHBondContact OD2-CB 3.28Å; D614-S617 PolarHBondContact OD2-OG 2.66Å; D614-P618 WeakPolarHBondContact O-CD 3.46Å | ||
| 615 | L | 86 | Confident | 89.1 | Confident | 9 Ų | 9 | 55 Ų | 55 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | trans | -87.8 | -15.9 | 172.5 | -63.9 | -176.8 | 0 | 0 | 0 | 113 | F229 L355 V359 I613 F619 V726 | F229-L615 HydrophobicContact CE1-CD1 3.97Å; F229-L615 HydrophobicContact CZ-CD1 3.54Å; L355-L615 HydrophobicContact CD1-CD1 4.37Å; L355-L615 HydrophobicContact CD1-CD2 3.56Å; V359-L615 HydrophobicContact CG2-CD2 3.73Å; I613-L615 HydrophobicContact CG2-CD2 3.67Å; I613-L615 HydrophobicContact CG2-CG 3.98Å; I613-L615 PolarHBondContact O-N 3.39Å; I613-L615 VanDerWaalsContact O-N 3.12Å; L615-F619 VanDerWaalsContact O-CD2 3.26Å; L615-F619 WeakPolarHBondContact O-CD2 3.31Å; L615-V726 HydrophobicContact CB-CG1 4Å; L615-V726 HydrophobicContact CB-CG2 4.16Å; L615-V726 HydrophobicContact CD1-CG1 4.4Å | ||
| 616 | E | 90.3 | Very high | 89.8 | Confident | 44 Ų | 44 | 53.5 Ų | 53.5 | 21% | 0.206 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -79.6 | -45.6 | -176 | -72.8 | -165 | -152.1 | 0 | 0 | 111.9 | D614 F619 R620 S723 V726 | D614-E616 PolarHBondContact OD1-N 3.38Å; D614-E616 VanDerWaalsContact OD1-N 3.09Å; E616-F619 PolarHBondContact O-N 3.35Å; E616-R620 WeakPolarHBondContact O-CB 3.32Å; E616-R620 WeakPolarHBondContact O-CG 3.35Å; E616-R620 PolarHBondContact O-N 2.81Å; E616-R620 IonicContact OE2-CZ 3.63Å; E616-R620 IonicContact OE2-NE 2.69Å; E616-R620 PolarHBondContact OE2-NE 3.26Å; E616-R620 IonicContact OE2-NH2 2.83Å; E616-R620 PolarHBondContact OE2-NH2 3.35Å; E616-S723 VanDerWaalsContact OE1-CA 3.29Å; E616-S723 WeakPolarHBondContact OE1-CA 3.49Å; E616-S723 WeakPolarHBondContact OE1-CB 3.31Å; E616-S723 PolarHBondContact OE1-OG 3.03Å; E616-V726 HydrophobicContact CG-CB 4.44Å; E616-V726 HydrophobicContact CG-CG1 4.49Å; E616-V726 HydrophobicContact CG-CG2 4.08Å |
| 617 | S | 91.4 | Very high | 90.5 | Very high | 49 Ų | 49 | 54.5 Ų | 54.5 | 34% | 0.343 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.2 | -40.1 | -172.1 | -58.4 | 0 | 0 | 0 | 0 | 114.6 | D614 R620 R621 | D614-S617 VanDerWaalsContact CG-OG 3.28Å; D614-S617 PolarHBondContact OD1-N 3.22Å; D614-S617 PolarHBondContact OD1-OG 3.45Å; D614-S617 WeakPolarHBondContact OD2-CB 3.28Å; D614-S617 PolarHBondContact OD2-OG 2.66Å; S617-R620 PolarHBondContact O-N 2.88Å; S617-R621 WeakPolarHBondContact O-CB 3.42Å; S617-R621 VanDerWaalsContact O-CG 3.32Å; S617-R621 WeakPolarHBondContact O-CG 3.45Å; S617-R621 PolarHBondContact O-N 2.88Å; S617-R621 PolarHBondContact O-NE 3.24Å |
| 618 | P | 90.8 | Very high | 91.1 | Very high | 37 Ų | 37 | 55.7 Ų | 55.7 | 24% | 0.24 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59 | -48.1 | 174.5 | -23.7 | 34.7 | 0 | 0 | 0 | 112.1 | D614 R621 T622 | D614-P618 WeakPolarHBondContact O-CD 3.46Å; P618-R621 PolarHBondContact O-N 3.39Å; P618-T622 PolarHBondContact O-N 3.46Å; P618-T622 PolarHBondContact O-OG1 3.28Å; P618-T622 VanDerWaalsContact O-OG1 3.13Å |
| 619 | F | 92.7 | Very high | 91.6 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.5 | -43.7 | 178.3 | -79.7 | -88.4 | 0 | 0 | 0 | 112 | F233 T351 I352 L355 L615 E616 R621 T622 I623 Y718 L722 | F233-F619 HydrophobicContact CD1-CZ 4.45Å; F233-F619 AromaticContact CE1-CE1 3.95Å; F233-F619 HydrophobicContact CE1-CE1 3.95Å; F233-F619 AromaticContact CE1-CE2 3.99Å; F233-F619 HydrophobicContact CE1-CE2 3.99Å; F233-F619 AromaticContact CE1-CZ 3.52Å; F233-F619 HydrophobicContact CE1-CZ 3.52Å; F233-F619 HydrophobicContact CZ-CE1 4.42Å; F233-F619 HydrophobicContact CZ-CE2 4.11Å; F233-F619 HydrophobicContact CZ-CZ 4.04Å; T351-F619 HydrophobicContact CG2-CD1 3.95Å; T351-F619 HydrophobicContact CG2-CD2 4.09Å; T351-F619 HydrophobicContact CG2-CE1 3.89Å; T351-F619 HydrophobicContact CG2-CE2 4.05Å; T351-F619 HydrophobicContact CG2-CG 4.06Å; T351-F619 HydrophobicContact CG2-CZ 3.95Å; I352-F619 HydrophobicContact CG1-CE1 3.74Å; I352-F619 HydrophobicContact CG1-CZ 4.22Å; L355-F619 HydrophobicContact CD1-CE2 4.24Å; L615-F619 VanDerWaalsContact O-CD2 3.26Å; L615-F619 WeakPolarHBondContact O-CD2 3.31Å; E616-F619 PolarHBondContact O-N 3.35Å; F619-R621 VanDerWaalsContact C-N 3.31Å; F619-R621 PolarHBondContact O-N 3.01Å; F619-T622 PolarHBondContact O-N 2.99Å; F619-I623 WeakPolarHBondContact O-CB 3.43Å; F619-I623 WeakPolarHBondContact O-CD1 3.44Å; F619-I623 WeakPolarHBondContact O-CG1 3.23Å; F619-I623 PolarHBondContact O-N 2.85Å; F619-Y718 HydrophobicContact CD1-CE1 4.03Å; F619-L722 HydrophobicContact CB-CD1 4.06Å; F619-L722 HydrophobicContact CB-CD2 3.71Å; F619-L722 HydrophobicContact CG-CD1 4.29Å |
| 620 | R | 93.9 | Very high | 92.1 | Very high | 106 Ų | 106 | 50.4 Ų | 50.4 | 40% | 0.4 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.9 | -42.3 | 176.3 | -74.3 | -177.9 | -177.2 | -126.6 | 5.8 | 111.9 | E616 S617 I623 Q624 L722 | E616-R620 WeakPolarHBondContact O-CB 3.32Å; E616-R620 WeakPolarHBondContact O-CG 3.35Å; E616-R620 PolarHBondContact O-N 2.81Å; E616-R620 IonicContact OE2-CZ 3.63Å; E616-R620 IonicContact OE2-NE 2.69Å; E616-R620 PolarHBondContact OE2-NE 3.26Å; E616-R620 IonicContact OE2-NH2 2.83Å; E616-R620 PolarHBondContact OE2-NH2 3.35Å; S617-R620 PolarHBondContact O-N 2.88Å; R620-I623 PolarHBondContact O-N 3.38Å; R620-Q624 WeakPolarHBondContact O-CB 3.35Å; R620-Q624 VanDerWaalsContact O-CG 3.24Å; R620-Q624 WeakPolarHBondContact O-CG 3.26Å; R620-Q624 PolarHBondContact O-N 2.86Å; R620-L722 HydrophobicContact CG-CD2 3.85Å |
| 621 | R | 94.7 | Very high | 92.6 | Very high | 155 Ų | 155 | 55.6 Ų | 55.6 | 59% | 0.585 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.9 | -47.5 | 175.2 | -76.1 | -177.5 | -68.5 | 152.3 | -5.3 | 111.5 | S617 P618 F619 I623 Q624 S625 | S617-R621 WeakPolarHBondContact O-CB 3.42Å; S617-R621 VanDerWaalsContact O-CG 3.32Å; S617-R621 WeakPolarHBondContact O-CG 3.45Å; S617-R621 PolarHBondContact O-N 2.88Å; S617-R621 PolarHBondContact O-NE 3.24Å; P618-R621 PolarHBondContact O-N 3.39Å; F619-R621 VanDerWaalsContact C-N 3.31Å; F619-R621 PolarHBondContact O-N 3.01Å; R621-I623 PolarHBondContact O-N 2.88Å; R621-Q624 PolarHBondContact O-N 3.38Å; R621-S625 WeakPolarHBondContact O-CB 3.39Å; R621-S625 PolarHBondContact O-N 3.4Å; R621-S625 PolarHBondContact O-OG 2.84Å; R621-S625 VanDerWaalsContact O-OG 3.11Å |
| 622 | T | 94.7 | Very high | 93.2 | Very high | 12 Ų | 12 | 56.1 Ų | 56.1 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 178.4 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | E347 F348 T351 P618 F619 Q624 S625 C626 | E347-T622 HydrophobicContact CB-CG2 4.26Å; E347-T622 HydrophobicContact CG-CG2 4.3Å; F348-T622 HydrophobicContact CB-CG2 4.26Å; T351-T622 PolarHBondContact OG1-OG1 3.41Å; P618-T622 PolarHBondContact O-N 3.46Å; P618-T622 PolarHBondContact O-OG1 3.28Å; P618-T622 VanDerWaalsContact O-OG1 3.13Å; F619-T622 PolarHBondContact O-N 2.99Å; T622-Q624 PolarHBondContact O-N 2.97Å; T622-S625 PolarHBondContact O-N 2.98Å; T622-C626 WeakPolarHBondContact O-CB 3.36Å; T622-C626 PolarHBondContact O-N 3.14Å; T622-C626 PolarHBondContact O-SG 3.17Å |
| 623 | I | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.5 | -48.1 | 176.4 | -67.1 | 159.8 | 0 | 0 | 0 | 110.8 | F348 F619 R620 R621 S625 C626 L627 L715 Y718 N719 L722 | F348-I623 HydrophobicContact CE2-CG1 4.49Å; F619-I623 WeakPolarHBondContact O-CB 3.43Å; F619-I623 WeakPolarHBondContact O-CD1 3.44Å; F619-I623 WeakPolarHBondContact O-CG1 3.23Å; F619-I623 PolarHBondContact O-N 2.85Å; R620-I623 PolarHBondContact O-N 3.38Å; R621-I623 PolarHBondContact O-N 2.88Å; I623-S625 VanDerWaalsContact C-N 3.32Å; I623-S625 PolarHBondContact O-N 2.78Å; I623-C626 PolarHBondContact O-N 3.49Å; I623-L627 HydrophobicContact CG2-CD1 3.9Å; I623-L627 HydrophobicContact CG2-CG 4.33Å; I623-L627 WeakPolarHBondContact O-CB 3.33Å; I623-L627 WeakPolarHBondContact O-CG 3.32Å; I623-L627 PolarHBondContact O-N 2.81Å; I623-L715 HydrophobicContact CG1-CD2 4.24Å; I623-L715 HydrophobicContact CG2-CD2 4.37Å; I623-Y718 HydrophobicContact CD1-CD1 3.66Å; I623-Y718 HydrophobicContact CD1-CE1 4.01Å; I623-Y718 HydrophobicContact CG1-CD1 4.36Å; I623-N719 HydrophobicContact CD1-CB 4.17Å; I623-N719 HydrophobicContact CG2-CB 4.14Å; I623-L722 HydrophobicContact CD1-CD2 4.21Å |
| 624 | Q | 95.4 | Very high | 93.9 | Very high | 125 Ų | 125 | 53.2 Ų | 53.2 | 58% | 0.584 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59.8 | -43.4 | 178.1 | -76.4 | 173.2 | -5.9 | 0 | 0 | 111.6 | R620 R621 T622 L627 A628 | R620-Q624 WeakPolarHBondContact O-CB 3.35Å; R620-Q624 VanDerWaalsContact O-CG 3.24Å; R620-Q624 WeakPolarHBondContact O-CG 3.26Å; R620-Q624 PolarHBondContact O-N 2.86Å; R621-Q624 PolarHBondContact O-N 3.38Å; T622-Q624 PolarHBondContact O-N 2.97Å; Q624-L627 PolarHBondContact O-N 3.16Å; Q624-A628 WeakPolarHBondContact O-CB 3.45Å; Q624-A628 PolarHBondContact O-N 3.34Å |
| 625 | S | 95.9 | Very high | 94 | Very high | 43 Ų | 43 | 50.9 Ų | 50.9 | 30% | 0.301 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.9 | -38.2 | 177 | -62.4 | 0 | 0 | 0 | 0 | 112.5 | Y344 R621 T622 I623 A628 A629 | Y344-S625 WeakPolarHBondContact OH-CB 3.46Å; Y344-S625 PolarHBondContact OH-OG 3.41Å; R621-S625 WeakPolarHBondContact O-CB 3.39Å; R621-S625 PolarHBondContact O-N 3.4Å; R621-S625 PolarHBondContact O-OG 2.84Å; R621-S625 VanDerWaalsContact O-OG 3.11Å; T622-S625 PolarHBondContact O-N 2.98Å; I623-S625 VanDerWaalsContact C-N 3.32Å; I623-S625 PolarHBondContact O-N 2.78Å; S625-A628 PolarHBondContact O-N 3.22Å; S625-A629 WeakPolarHBondContact O-CB 3.43Å; S625-A629 PolarHBondContact O-N 3.31Å |
| 626 | C | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.8 | -44.2 | 173.4 | -70 | 0 | 0 | 0 | 0 | 111.8 | L345 T622 I623 A628 A629 F630 L715 | L345-C626 HydrophobicContact CD2-CB 3.98Å; T622-C626 WeakPolarHBondContact O-CB 3.36Å; T622-C626 PolarHBondContact O-N 3.14Å; T622-C626 PolarHBondContact O-SG 3.17Å; I623-C626 PolarHBondContact O-N 3.49Å; C626-A628 VanDerWaalsContact C-N 3.33Å; C626-A628 PolarHBondContact O-N 3.14Å; C626-A629 WeakPolarHBondContact O-CB 3.11Å; C626-A629 PolarHBondContact O-N 2.92Å; C626-F630 VanDerWaalsContact O-CD2 3.23Å; C626-F630 WeakPolarHBondContact O-CD2 3.42Å; C626-F630 PolarHBondContact O-N 3.4Å; C626-L715 HydrophobicContact CB-CD1 3.81Å; C626-L715 HydrophobicContact CB-CD2 4.36Å |
| 627 | L | 96.5 | Very high | 94.3 | Very high | 38 Ų | 38 | 50.9 Ų | 50.9 | 20% | 0.199 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.8 | -40.6 | 175.2 | -71.1 | 172.8 | 0 | 0 | 0 | 111.3 | I623 Q624 A629 F630 E631 V712 L715 | I623-L627 HydrophobicContact CG2-CD1 3.9Å; I623-L627 HydrophobicContact CG2-CG 4.33Å; I623-L627 WeakPolarHBondContact O-CB 3.33Å; I623-L627 WeakPolarHBondContact O-CG 3.32Å; I623-L627 PolarHBondContact O-N 2.81Å; Q624-L627 PolarHBondContact O-N 3.16Å; L627-A629 VanDerWaalsContact C-N 3.34Å; L627-A629 PolarHBondContact O-N 3.2Å; L627-F630 PolarHBondContact O-N 3.23Å; L627-E631 PolarHBondContact O-N 3.45Å; L627-V712 HydrophobicContact CD2-CG1 4.02Å; L627-L715 HydrophobicContact CD2-CB 4.12Å; L627-L715 HydrophobicContact CD2-CD1 4.23Å |
| 628 | A | 96.7 | Very high | 94 | Very high | 39 Ų | 39 | 54 Ų | 54 | 32% | 0.322 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.1 | -36.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q624 S625 C626 E631 R632 | Q624-A628 WeakPolarHBondContact O-CB 3.45Å; Q624-A628 PolarHBondContact O-N 3.34Å; S625-A628 PolarHBondContact O-N 3.22Å; C626-A628 VanDerWaalsContact C-N 3.33Å; C626-A628 PolarHBondContact O-N 3.14Å; A628-E631 PolarHBondContact O-N 3.26Å; A628-R632 PolarHBondContact O-N 3.11Å; A628-R632 PolarHBondContact O-NH1 3.36Å |
| 629 | A | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D341 L345 S625 C626 L627 E631 R632 L633 | D341-A629 HydrophobicContact CB-CB 4.16Å; L345-A629 HydrophobicContact CD2-CB 4.11Å; S625-A629 WeakPolarHBondContact O-CB 3.43Å; S625-A629 PolarHBondContact O-N 3.31Å; C626-A629 WeakPolarHBondContact O-CB 3.11Å; C626-A629 PolarHBondContact O-N 2.92Å; L627-A629 VanDerWaalsContact C-N 3.34Å; L627-A629 PolarHBondContact O-N 3.2Å; A629-E631 PolarHBondContact O-N 3.29Å; A629-R632 PolarHBondContact O-N 2.94Å; A629-R632 VanDerWaalsContact O-N 3.17Å; A629-L633 WeakPolarHBondContact O-CG 3.41Å; A629-L633 PolarHBondContact O-N 3.48Å |
| 630 | F | 96.7 | Very high | 93.5 | Very high | 7 Ų | 7 | 55.4 Ų | 55.4 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.4 | -37.5 | 174.6 | -78.9 | -58 | 0 | 0 | 0 | 113.4 | F249 L345 C626 L627 R632 L633 K634 M708 A711 V712 L715 | F249-F630 AromaticContact CD1-CE1 3.71Å; F249-F630 HydrophobicContact CD1-CE1 3.71Å; F249-F630 HydrophobicContact CD1-CZ 4.23Å; F249-F630 HydrophobicContact CE1-CD1 4.48Å; F249-F630 AromaticContact CE1-CE1 3.73Å; F249-F630 HydrophobicContact CE1-CE1 3.73Å; F249-F630 HydrophobicContact CG-CE1 4.15Å; F249-F630 HydrophobicContact CZ-CE1 4.18Å; L345-F630 HydrophobicContact CD1-CD1 4.49Å; L345-F630 HydrophobicContact CD1-CE1 3.68Å; L345-F630 HydrophobicContact CD1-CE2 4.13Å; L345-F630 HydrophobicContact CD1-CZ 3.47Å; L345-F630 VanDerWaalsContact CD1-CZ 3.47Å; L345-F630 HydrophobicContact CD2-CD2 4Å; L345-F630 HydrophobicContact CD2-CE1 4.43Å; L345-F630 HydrophobicContact CD2-CE2 3.61Å; L345-F630 HydrophobicContact CD2-CZ 3.86Å; L345-F630 HydrophobicContact CG-CZ 4.3Å; C626-F630 VanDerWaalsContact O-CD2 3.23Å; C626-F630 WeakPolarHBondContact O-CD2 3.42Å; C626-F630 PolarHBondContact O-N 3.4Å; L627-F630 PolarHBondContact O-N 3.23Å; F630-R632 VanDerWaalsContact C-N 3.3Å; F630-R632 PolarHBondContact O-N 2.86Å; F630-L633 HydrophobicContact CD1-CD1 4.37Å; F630-L633 CarbonylContact O-C 3.58Å; F630-L633 WeakPolarHBondContact O-CA 3.32Å; F630-L633 PolarHBondContact O-N 3.03Å; F630-L633 VanDerWaalsContact O-N 3.07Å; F630-K634 PolarHBondContact O-N 3.18Å; F630-M708 HydrophobicContact CD1-CG 3.5Å; F630-M708 HydrophobicContact CD1-SD 4.23Å; F630-M708 HydrophobicContact CE1-CG 3.79Å; F630-M708 HydrophobicContact CG-CG 4.49Å; F630-A711 HydrophobicContact CE1-CB 4.3Å; F630-A711 HydrophobicContact CE2-CB 4Å; F630-A711 HydrophobicContact CZ-CB 3.54Å; F630-V712 HydrophobicContact CB-CG2 3.77Å; F630-V712 HydrophobicContact CD1-CG2 4.28Å; F630-V712 HydrophobicContact CD2-CG2 3.77Å; F630-V712 HydrophobicContact CE2-CG2 4.41Å; F630-V712 HydrophobicContact CG-CG2 3.69Å; F630-L715 HydrophobicContact CD2-CD1 3.85Å; F630-L715 HydrophobicContact CE2-CD1 3.57Å |
| 631 | E | 95.2 | Very high | 93.3 | Very high | 121 Ų | 121 | 50.4 Ų | 50.4 | 57% | 0.565 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -63.5 | -35.1 | 173.2 | -76.6 | -61.5 | 145.6 | 0 | 0 | 112.3 | L627 A628 A629 L633 K634 | L627-E631 PolarHBondContact O-N 3.45Å; A628-E631 PolarHBondContact O-N 3.26Å; A629-E631 PolarHBondContact O-N 3.29Å; E631-L633 VanDerWaalsContact C-N 3.28Å; E631-L633 PolarHBondContact O-N 3.13Å; E631-K634 WeakPolarHBondContact O-CB 3.22Å; E631-K634 PolarHBondContact O-N 3.38Å; E631-K634 IonicContact OE2-NZ 2.64Å; E631-K634 PolarHBondContact OE2-NZ 2.83Å |
| 632 | R | 95.3 | Very high | 93 | Very high | 122 Ų | 122 | 50.1 Ų | 50.1 | 46% | 0.46 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -70 | -26.9 | 172.4 | -70.2 | -173.2 | -66.8 | -85.3 | 1.4 | 112.6 | D341 A628 A629 F630 K634 | D341-R632 IonicContact OD1-CZ 3.46Å; D341-R632 IonicContact OD1-NE 3.03Å; D341-R632 PolarHBondContact OD1-NE 3.33Å; D341-R632 IonicContact OD1-NH2 2.75Å; D341-R632 PolarHBondContact OD1-NH2 3.11Å; D341-R632 IonicContact OD2-NE 2.84Å; A628-R632 PolarHBondContact O-N 3.11Å; A628-R632 PolarHBondContact O-NH1 3.36Å; A629-R632 PolarHBondContact O-N 2.94Å; A629-R632 VanDerWaalsContact O-N 3.17Å; F630-R632 VanDerWaalsContact C-N 3.3Å; F630-R632 PolarHBondContact O-N 2.86Å; R632-K634 VanDerWaalsContact C-N 3.28Å; R632-K634 PolarHBondContact O-N 3.36Å |
| 633 | L | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 5.8 | 175.6 | -66.1 | 167 | 0 | 0 | 0 | 113.6 | F249 H338 D341 V342 A629 F630 E631 F635 L636 M708 | F249-L633 HydrophobicContact CE1-CD1 3.93Å; F249-L633 HydrophobicContact CZ-CD1 3.95Å; H338-L633 HydrophobicContact CB-CD2 3.62Å; D341-L633 HydrophobicContact CB-CD1 4.2Å; D341-L633 HydrophobicContact CB-CD2 4.36Å; D341-L633 HydrophobicContact CB-CG 4.18Å; V342-L633 HydrophobicContact CG2-CD1 4.04Å; V342-L633 HydrophobicContact CG2-CD2 3.96Å; A629-L633 WeakPolarHBondContact O-CG 3.41Å; A629-L633 PolarHBondContact O-N 3.48Å; F630-L633 HydrophobicContact CD1-CD1 4.37Å; F630-L633 CarbonylContact O-C 3.58Å; F630-L633 WeakPolarHBondContact O-CA 3.32Å; F630-L633 PolarHBondContact O-N 3.03Å; F630-L633 VanDerWaalsContact O-N 3.07Å; E631-L633 VanDerWaalsContact C-N 3.28Å; E631-L633 PolarHBondContact O-N 3.13Å; L633-F635 HydrophobicContact CD2-CE1 3.93Å; L633-F635 HydrophobicContact CD2-CZ 4.1Å; L633-F635 PolarHBondContact O-N 3.13Å; L633-L636 HydrophobicContact CB-CD1 4.31Å; L633-L636 HydrophobicContact CD2-CD1 4.41Å; L633-L636 VanDerWaalsContact O-CB 3.29Å; L633-L636 WeakPolarHBondContact O-CB 3.18Å; L633-L636 WeakPolarHBondContact O-CG 3.46Å; L633-L636 PolarHBondContact O-N 2.96Å; L633-M708 HydrophobicContact CB-SD 4.23Å |
| 634 | K | 92.7 | Very high | 92.3 | Very high | 115 Ų | 115 | 53.1 Ų | 53.1 | 50% | 0.5 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -59.7 | -19.7 | -176.1 | -171.9 | 173.3 | -167.7 | 161.6 | 0 | 114.8 | F630 E631 R632 L636 S637 | F630-K634 PolarHBondContact O-N 3.18Å; E631-K634 WeakPolarHBondContact O-CB 3.22Å; E631-K634 PolarHBondContact O-N 3.38Å; E631-K634 IonicContact OE2-NZ 2.64Å; E631-K634 PolarHBondContact OE2-NZ 2.83Å; R632-K634 VanDerWaalsContact C-N 3.28Å; R632-K634 PolarHBondContact O-N 3.36Å; K634-L636 PolarHBondContact O-N 2.94Å; K634-L636 VanDerWaalsContact O-N 3.14Å; K634-S637 VanDerWaalsContact O-CB 3.31Å; K634-S637 WeakPolarHBondContact O-CB 3.42Å; K634-S637 PolarHBondContact O-N 3.5Å; K634-S637 PolarHBondContact O-OG 2.99Å |
| 635 | F | 92.2 | Very high | 92.1 | Very high | 43 Ų | 43 | 48 Ų | 48 | 19% | 0.189 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -56 | -27.5 | 170.4 | 67.1 | -93.9 | 0 | 0 | 0 | 112.3 | Q334 I335 H338 L633 S637 V638 | Q334-F635 HydrophobicContact CB-CD2 3.78Å; Q334-F635 HydrophobicContact CB-CE1 4.49Å; Q334-F635 HydrophobicContact CB-CE2 3.39Å; Q334-F635 HydrophobicContact CB-CG 4.47Å; Q334-F635 HydrophobicContact CB-CZ 3.81Å; Q334-F635 HydrophobicContact CG-CD2 4.48Å; I335-F635 HydrophobicContact CG1-CE2 4.24Å; I335-F635 HydrophobicContact CG1-CZ 4.46Å; H338-F635 HydrophobicContact CB-CE1 4.08Å; H338-F635 HydrophobicContact CB-CZ 4.32Å; H338-F635 AromaticContact CD2-CE1 3.48Å; H338-F635 VanDerWaalsContact CD2-CE1 3.48Å; H338-F635 WeakPolarHBondContact CD2-CE1 3.27Å; H338-F635 AromaticContact CG-CE1 3.83Å; L633-F635 HydrophobicContact CD2-CE1 3.93Å; L633-F635 HydrophobicContact CD2-CZ 4.1Å; L633-F635 PolarHBondContact O-N 3.13Å; F635-S637 PolarHBondContact O-N 3.22Å; F635-V638 PolarHBondContact O-N 3.17Å |
| 636 | L | 92.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -69.6 | -16.9 | 174.8 | -64 | 175.2 | 0 | 0 | 0 | 113.5 | F249 I331 I335 L633 K634 V638 V639 I704 P705 M708 | F249-L636 HydrophobicContact CE2-CD1 3.78Å; F249-L636 HydrophobicContact CZ-CD1 3.71Å; I331-L636 HydrophobicContact CG2-CD2 3.68Å; I335-L636 HydrophobicContact CD1-CD2 4.08Å; I335-L636 HydrophobicContact CG1-CD2 3.84Å; L633-L636 HydrophobicContact CB-CD1 4.31Å; L633-L636 HydrophobicContact CD2-CD1 4.41Å; L633-L636 VanDerWaalsContact O-CB 3.29Å; L633-L636 WeakPolarHBondContact O-CB 3.18Å; L633-L636 WeakPolarHBondContact O-CG 3.46Å; L633-L636 PolarHBondContact O-N 2.96Å; K634-L636 PolarHBondContact O-N 2.94Å; K634-L636 VanDerWaalsContact O-N 3.14Å; L636-V638 PolarHBondContact O-N 3.32Å; L636-V639 HydrophobicContact CD2-CG2 4.45Å; L636-V639 WeakPolarHBondContact O-CG2 3.15Å; L636-I704 HydrophobicContact CB-CG2 4.26Å; L636-I704 HydrophobicContact CD1-CG2 3.96Å; L636-I704 HydrophobicContact CD2-CG2 4.27Å; L636-I704 HydrophobicContact CG-CG2 4.4Å; L636-P705 WeakPolarHBondContact O-CG 3.46Å; L636-M708 HydrophobicContact CB-CE 4.49Å; L636-M708 HydrophobicContact CB-SD 4.17Å |
| 637 | S | 88.9 | Confident | 91.2 | Very high | 53 Ų | 53 | 53.9 Ų | 53.9 | 37% | 0.371 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -72.2 | -17.6 | 178.7 | 66.7 | 0 | 0 | 0 | 0 | 113.8 | K634 F635 | K634-S637 VanDerWaalsContact O-CB 3.31Å; K634-S637 WeakPolarHBondContact O-CB 3.42Å; K634-S637 PolarHBondContact O-N 3.5Å; K634-S637 PolarHBondContact O-OG 2.99Å; F635-S637 PolarHBondContact O-N 3.22Å |
| 638 | V | 85.4 | Confident | 90.9 | Very high | 113 Ų | 113 | 52.1 Ų | 52.1 | 69% | 0.685 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -92.2 | -7.5 | -176.4 | -171.9 | 0 | 0 | 0 | 0 | 111.8 | F635 L636 D640 | F635-V638 PolarHBondContact O-N 3.17Å; L636-V638 PolarHBondContact O-N 3.32Å; V638-D640 PolarHBondContact O-N 2.74Å; V638-D640 VanDerWaalsContact O-N 3.15Å |
| 639 | V | 85.3 | Confident | 90.4 | Very high | 11 Ų | 11 | 54.7 Ų | 54.7 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | trans | -63 | 116.4 | -177.4 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | I331 L636 F701 P705 | I331-V639 HydrophobicContact CD1-CB 4.25Å; I331-V639 HydrophobicContact CD1-CG1 4.02Å; I331-V639 HydrophobicContact CD1-CG2 3.49Å; I331-V639 VanDerWaalsContact CD1-CG2 3.49Å; I331-V639 HydrophobicContact CG1-CG2 4.13Å; I331-V639 HydrophobicContact CG2-CG2 4.23Å; L636-V639 HydrophobicContact CD2-CG2 4.45Å; L636-V639 WeakPolarHBondContact O-CG2 3.15Å; V639-F701 HydrophobicContact CG1-CD1 3.69Å; V639-F701 HydrophobicContact CG1-CE1 3.37Å; V639-F701 HydrophobicContact CG1-CZ 4.28Å; V639-P705 HydrophobicContact CB-CG 4.07Å | ||
| 640 | D | 88.5 | Confident | 90.1 | Very high | 61 Ų | 61 | 56.4 Ų | 56.4 | 33% | 0.326 | 27% | 0.269 | S | S | . | . | trans | -139.6 | 96.4 | 175.4 | -174.1 | 3.1 | 0 | 0 | 0 | 110.5 | Q324 V638 R642 | Q324-D640 PolarHBondContact NE2-O 3.12Å; V638-D640 PolarHBondContact O-N 2.74Å; V638-D640 VanDerWaalsContact O-N 3.15Å; D640-R642 VanDerWaalsContact OD1-CB 3.27Å; D640-R642 WeakPolarHBondContact OD1-CB 3.35Å; D640-R642 WeakPolarHBondContact OD1-CG 3.15Å; D640-R642 IonicContact OD1-CZ 2.81Å; D640-R642 PolarHBondContact OD1-N 2.88Å; D640-R642 IonicContact OD1-NE 2.8Å; D640-R642 PolarHBondContact OD1-NE 3.38Å; D640-R642 IonicContact OD1-NH2 3.64Å; D640-R642 IonicContact OD2-CZ 3.81Å; D640-R642 IonicContact OD2-NE 3.93Å; D640-R642 PolarHBondContact OD2-NE 2.96Å; D640-R642 IonicContact OD2-NH2 3.43Å; D640-R642 PolarHBondContact OD2-NH2 2.88Å | ||
| 641 | I | 88.4 | Confident | 89.7 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -108.7 | 28.7 | 177.8 | 52.9 | 159.4 | 0 | 0 | 0 | 111.5 | Q324 V328 E643 A644 I645 F698 F701 N702 | Q324-I641 HydrophobicContact CB-CG2 4.21Å; V328-I641 HydrophobicContact CG2-CG2 4.29Å; I641-E643 PolarHBondContact O-N 2.9Å; I641-A644 HydrophobicContact CB-CB 4.25Å; I641-A644 PolarHBondContact O-N 2.96Å; I641-I645 HydrophobicContact CG1-CD1 4.42Å; I641-I645 VanDerWaalsContact O-CG1 3.31Å; I641-I645 WeakPolarHBondContact O-CG1 3.43Å; I641-I645 PolarHBondContact O-N 3.43Å; I641-F698 HydrophobicContact CD1-CB 3.87Å; I641-F698 HydrophobicContact CD1-CD1 3.79Å; I641-F698 HydrophobicContact CD1-CG 4.15Å; I641-F698 VanDerWaalsContact CD1-O 3.26Å; I641-F698 WeakPolarHBondContact CD1-O 3.24Å; I641-F701 HydrophobicContact CD1-CB 3.88Å; I641-F701 HydrophobicContact CD1-CD1 3.38Å; I641-F701 HydrophobicContact CD1-CE1 4.29Å; I641-F701 HydrophobicContact CD1-CG 4.05Å; I641-F701 HydrophobicContact CG1-CD1 3.99Å; I641-F701 HydrophobicContact CG2-CD1 4.49Å; I641-F701 HydrophobicContact CG2-CE1 4.42Å; I641-N702 HydrophobicContact CD1-CB 4.09Å; I641-N702 HydrophobicContact CG1-CB 3.7Å; I641-N702 WeakPolarHBondContact CG1-OD1 3.46Å; I641-N702 PolarHBondContact N-OD1 3.48Å | ||
| 642 | R | 89.3 | Confident | 89.4 | Confident | 149 Ų | 149 | 51.8 Ų | 51.8 | 56% | 0.562 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -60.2 | -31.7 | 177.7 | -75.6 | -178.8 | -74.5 | -157.3 | -1.5 | 112.7 | D640 K646 | D640-R642 VanDerWaalsContact OD1-CB 3.27Å; D640-R642 WeakPolarHBondContact OD1-CB 3.35Å; D640-R642 WeakPolarHBondContact OD1-CG 3.15Å; D640-R642 IonicContact OD1-CZ 2.81Å; D640-R642 PolarHBondContact OD1-N 2.88Å; D640-R642 IonicContact OD1-NE 2.8Å; D640-R642 PolarHBondContact OD1-NE 3.38Å; D640-R642 IonicContact OD1-NH2 3.64Å; D640-R642 IonicContact OD2-CZ 3.81Å; D640-R642 IonicContact OD2-NE 3.93Å; D640-R642 PolarHBondContact OD2-NE 2.96Å; D640-R642 IonicContact OD2-NH2 3.43Å; D640-R642 PolarHBondContact OD2-NH2 2.88Å; R642-K646 WeakPolarHBondContact O-CG 3.48Å; R642-K646 PolarHBondContact O-N 3.44Å |
| 643 | E | 87.5 | Confident | 89.2 | Confident | 75 Ų | 75 | 46 Ų | 46 | 35% | 0.35 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -71.1 | -46.2 | 177 | -167.7 | 55.7 | -148 | 0 | 0 | 110.9 | V322 I641 I645 K646 Q647 | V322-E643 HydrophobicContact CG1-CG 3.65Å; I641-E643 PolarHBondContact O-N 2.9Å; E643-I645 VanDerWaalsContact C-N 3.27Å; E643-I645 PolarHBondContact O-N 3.43Å; E643-K646 WeakPolarHBondContact O-CB 3.45Å; E643-K646 PolarHBondContact O-N 3.36Å; E643-K646 VanDerWaalsContact O-N 3.08Å; E643-K646 IonicContact OE2-NZ 3.76Å; E643-Q647 WeakPolarHBondContact O-CG 3.4Å; E643-Q647 PolarHBondContact O-N 3.12Å; E643-Q647 PolarHBondContact OE1-NE2 3.35Å |
| 644 | A | 87.3 | Confident | 89.1 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.8 | -39.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q324 I641 Q647 V648 F698 | Q324-A644 HydrophobicContact CB-CB 4.43Å; I641-A644 HydrophobicContact CB-CB 4.25Å; I641-A644 PolarHBondContact O-N 2.96Å; A644-Q647 PolarHBondContact O-N 3.28Å; A644-V648 WeakPolarHBondContact O-CB 3.35Å; A644-V648 PolarHBondContact O-N 2.81Å; A644-F698 HydrophobicContact CB-CD2 4.3Å; A644-F698 HydrophobicContact CB-CE2 4.19Å; A644-F698 HydrophobicContact CB-CZ 4.45Å |
| 645 | I | 90.4 | Very high | 89 | Confident | 18 Ų | 18 | 45.9 Ų | 45.9 | 9% | 0.092 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.9 | -43.7 | 174.6 | -69.4 | 164.8 | 0 | 0 | 0 | 111.6 | I641 E643 V648 N649 Y695 F698 M699 N702 | I641-I645 HydrophobicContact CG1-CD1 4.42Å; I641-I645 VanDerWaalsContact O-CG1 3.31Å; I641-I645 WeakPolarHBondContact O-CG1 3.43Å; I641-I645 PolarHBondContact O-N 3.43Å; E643-I645 VanDerWaalsContact C-N 3.27Å; E643-I645 PolarHBondContact O-N 3.43Å; I645-V648 WeakPolarHBondContact O-CG1 3.49Å; I645-N649 PolarHBondContact O-N 2.89Å; I645-Y695 HydrophobicContact CG2-CD2 4.09Å; I645-Y695 HydrophobicContact CG2-CE2 3.51Å; I645-F698 HydrophobicContact CD1-CB 4.49Å; I645-F698 HydrophobicContact CG1-CB 3.65Å; I645-M699 HydrophobicContact CD1-SD 3.79Å; I645-M699 HydrophobicContact CG1-SD 4.33Å; I645-M699 HydrophobicContact CG2-CG 4.42Å; I645-M699 HydrophobicContact CG2-SD 3.76Å; I645-N702 HydrophobicContact CD1-CB 3.59Å |
| 646 | K | 88.8 | Confident | 88.8 | Confident | 128 Ų | 128 | 49.3 Ų | 49.3 | 56% | 0.557 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -64.3 | -46.3 | 177.4 | -74.3 | 171.9 | -172.8 | 171.3 | 0 | 111 | R642 E643 N649 T650 | R642-K646 WeakPolarHBondContact O-CG 3.48Å; R642-K646 PolarHBondContact O-N 3.44Å; E643-K646 WeakPolarHBondContact O-CB 3.45Å; E643-K646 PolarHBondContact O-N 3.36Å; E643-K646 VanDerWaalsContact O-N 3.08Å; E643-K646 IonicContact OE2-NZ 3.76Å; K646-N649 PolarHBondContact O-N 3.2Å; K646-N649 VanDerWaalsContact O-N 3.15Å; K646-T650 PolarHBondContact O-N 3.39Å |
| 647 | Q | 87 | Confident | 88.7 | Confident | 38 Ų | 38 | 52.9 Ų | 52.9 | 18% | 0.178 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.5 | -42.9 | -177 | -64.3 | -57.5 | -30.3 | 0 | 0 | 112.2 | V318 V322 F323 E643 A644 N649 T650 | V318-Q647 HydrophobicContact CG1-CB 4.15Å; V322-Q647 HydrophobicContact CB-CG 3.95Å; V322-Q647 HydrophobicContact CG1-CG 3.47Å; V322-Q647 VanDerWaalsContact CG1-CG 3.47Å; F323-Q647 HydrophobicContact CE1-CB 4.33Å; F323-Q647 HydrophobicContact CZ-CB 4.39Å; E643-Q647 WeakPolarHBondContact O-CG 3.4Å; E643-Q647 PolarHBondContact O-N 3.12Å; E643-Q647 PolarHBondContact OE1-NE2 3.35Å; A644-Q647 PolarHBondContact O-N 3.28Å; Q647-N649 PolarHBondContact O-N 2.93Å; Q647-T650 PolarHBondContact O-N 3.12Å; Q647-T650 PolarHBondContact O-OG1 3.21Å |
| 648 | V | 89.2 | Confident | 88.8 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.9 | -21.9 | 174.2 | 83.9 | 0 | 0 | 0 | 0 | 111.5 | F269 F323 A644 I645 T650 R691 I694 Y695 F698 | F269-V648 HydrophobicContact CE1-CG2 4.23Å; F269-V648 HydrophobicContact CZ-CG2 4.06Å; F323-V648 HydrophobicContact CD1-CB 4.41Å; F323-V648 HydrophobicContact CE1-CB 3.74Å; F323-V648 HydrophobicContact CE1-CG2 4.04Å; A644-V648 WeakPolarHBondContact O-CB 3.35Å; A644-V648 PolarHBondContact O-N 2.81Å; I645-V648 WeakPolarHBondContact O-CG1 3.49Å; V648-T650 VanDerWaalsContact C-N 3.29Å; V648-R691 HydrophobicContact CG2-CG 3.93Å; V648-R691 WeakPolarHBondContact O-CD 3.29Å; V648-R691 WeakPolarHBondContact O-CG 3.44Å; V648-R691 PolarHBondContact O-NH1 3.09Å; V648-I694 HydrophobicContact CG2-CB 4.01Å; V648-I694 HydrophobicContact CG2-CG2 3.84Å; V648-Y695 HydrophobicContact CG1-CD2 3.76Å; V648-Y695 HydrophobicContact CG1-CG 4.27Å; V648-F698 HydrophobicContact CB-CD2 4.21Å; V648-F698 HydrophobicContact CB-CE2 4.3Å; V648-F698 HydrophobicContact CG1-CD2 3.96Å; V648-F698 HydrophobicContact CG2-CE2 4.46Å |
| 649 | N | 87.1 | Confident | 89.1 | Confident | 93 Ų | 93 | 49.4 Ų | 49.4 | 50% | 0.497 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -11.1 | 174.9 | -160.8 | 37.2 | 0 | 0 | 0 | 113.4 | I645 K646 Q647 R691 Y695 | I645-N649 PolarHBondContact O-N 2.89Å; K646-N649 PolarHBondContact O-N 3.2Å; K646-N649 VanDerWaalsContact O-N 3.15Å; Q647-N649 PolarHBondContact O-N 2.93Å; N649-R691 VanDerWaalsContact C-NH1 3.32Å; N649-R691 PolarHBondContact O-NH1 3.37Å; N649-Y695 HydrophobicContact CB-CD2 4.13Å; N649-Y695 HydrophobicContact CB-CE2 4.16Å |
| 650 | T | 88.3 | Confident | 89.5 | Confident | 36 Ų | 36 | 54.1 Ų | 54.1 | 22% | 0.221 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -83.8 | 138.4 | 177 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | V318 K646 Q647 V648 R691 | V318-T650 WeakPolarHBondContact CG2-OG1 3.47Å; K646-T650 PolarHBondContact O-N 3.39Å; Q647-T650 PolarHBondContact O-N 3.12Å; Q647-T650 PolarHBondContact O-OG1 3.21Å; V648-T650 VanDerWaalsContact C-N 3.29Å; T650-R691 WeakPolarHBondContact O-CD 3.46Å |
| 651 | P | 89.1 | Confident | 89.8 | Confident | 22 Ų | 22 | 51.4 Ų | 51.4 | 14% | 0.143 | 25% | 0.248 | C | C | . | . | trans | -55.6 | 142.9 | 172.8 | -25.9 | 35 | 0 | 0 | 0 | 111.6 | T653 | P651-T653 PolarHBondContact O-N 2.84Š| ||
| 652 | L | 89.4 | Confident | 90 | Very high | 9 Ų | 9 | 51.5 Ų | 51.5 | 5% | 0.047 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -59.5 | -31.8 | -175.9 | -175.6 | 59.8 | 0 | 0 | 0 | 113.3 | L273 V276 R317 P684 L687 D688 | L273-L652 HydrophobicContact CD1-CD1 3.44Å; L273-L652 VanDerWaalsContact CD1-CD1 3.44Å; V276-L652 HydrophobicContact CG1-CD2 3.99Å; R317-L652 PolarHBondContact N-O 3.08Å; L652-P684 HydrophobicContact CD2-CB 3.85Å; L652-L687 HydrophobicContact CD1-CD2 4.5Å; L652-L687 HydrophobicContact CD2-CB 4.33Å; L652-L687 HydrophobicContact CD2-CD2 3.97Å; L652-L687 HydrophobicContact CD2-CG 4.38Å; L652-D688 HydrophobicContact CB-CB 4.25Å; L652-D688 WeakPolarHBondContact CB-OD1 3.43Å; L652-D688 PolarHBondContact N-OD1 3.41Å |
| 653 | T | 91.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -123.5 | 175.5 | 179.9 | 78.3 | 0 | 0 | 0 | 0 | 111.5 | L280 L314 K315 P651 I655 L658 | L280-T653 HydrophobicContact CD2-CG2 4.08Å; L314-T653 HydrophobicContact CD1-CG2 4.48Å; K315-T653 VanDerWaalsContact O-CA 3.24Å; K315-T653 WeakPolarHBondContact O-CA 3.47Å; K315-T653 WeakPolarHBondContact O-CB 3.48Å; P651-T653 PolarHBondContact O-N 2.84Å; T653-I655 PolarHBondContact O-N 2.84Å; T653-I655 WeakPolarHBondContact OG1-CB 3.36Å; T653-I655 PolarHBondContact OG1-N 3.27Å; T653-I655 VanDerWaalsContact OG1-N 3.09Å; T653-I655 PolarHBondContact OG1-O 3.24Å; T653-I655 VanDerWaalsContact OG1-O 3.08Å; T653-L658 HydrophobicContact CG2-CD1 4.39Å |
| 654 | F | 92.2 | Very high | 90.7 | Very high | 99 Ų | 99 | 47.9 Ų | 47.9 | 43% | 0.434 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -75.6 | -10 | 170.7 | -63.2 | -85.3 | 0 | 0 | 0 | 112.8 | Q313 K315 R317 D656 | Q313-F654 HydrophobicContact CB-CB 3.9Å; Q313-F654 HydrophobicContact CG-CB 4.28Å; Q313-F654 WeakPolarHBondContact O-CB 3.33Å; Q313-F654 PolarHBondContact O-N 3.43Å; Q313-F654 PolarHBondContact OE1-O 3.09Å; K315-F654 HydrophobicContact CB-CD2 4.07Å; K315-F654 HydrophobicContact CB-CE2 4.19Å; R317-F654 HydrophobicContact CB-CD2 4.38Å; R317-F654 HydrophobicContact CB-CE1 4.46Å; R317-F654 HydrophobicContact CB-CE2 4.24Å; R317-F654 HydrophobicContact CB-CZ 4.28Å; R317-F654 HydrophobicContact CG-CD1 4.26Å; R317-F654 HydrophobicContact CG-CE1 3.97Å; R317-F654 HydrophobicContact CG-CZ 4.15Å; F654-D656 PolarHBondContact O-N 2.93Å |
| 655 | I | 91.8 | Very high | 91 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | trans | -82.3 | 107.1 | 166.4 | -56.1 | 178 | 0 | 0 | 0 | 107.3 | L309 Q313 L314 T653 N657 L658 F661 | L309-I655 HydrophobicContact CG-CD1 4.26Å; Q313-I655 HydrophobicContact CB-CD1 4.37Å; Q313-I655 HydrophobicContact CB-CG1 3.55Å; L314-I655 HydrophobicContact CB-CD1 4.1Å; L314-I655 HydrophobicContact CD1-CD1 4.11Å; T653-I655 PolarHBondContact O-N 2.84Å; T653-I655 WeakPolarHBondContact OG1-CB 3.36Å; T653-I655 PolarHBondContact OG1-N 3.27Å; T653-I655 VanDerWaalsContact OG1-N 3.09Å; T653-I655 PolarHBondContact OG1-O 3.24Å; T653-I655 VanDerWaalsContact OG1-O 3.08Å; I655-N657 VanDerWaalsContact C-N 3.28Å; I655-N657 PolarHBondContact O-N 3.48Å; I655-L658 HydrophobicContact CB-CD1 4.2Å; I655-L658 HydrophobicContact CD1-CD1 4.36Å; I655-L658 HydrophobicContact CG2-CD1 4.33Å; I655-F661 HydrophobicContact CD1-CB 4.3Å; I655-F661 HydrophobicContact CD1-CD1 3.96Å; I655-F661 HydrophobicContact CD1-CD2 3.92Å; I655-F661 HydrophobicContact CD1-CE1 4.25Å; I655-F661 HydrophobicContact CD1-CE2 4.22Å; I655-F661 HydrophobicContact CD1-CG 3.78Å; I655-F661 HydrophobicContact CD1-CZ 4.38Å; I655-F661 HydrophobicContact CG2-CB 3.89Å; I655-F661 HydrophobicContact CG2-CG 4.49Å | ||
| 656 | D | 86.4 | Confident | 91.1 | Very high | 114 Ų | 114 | 52.1 Ų | 52.1 | 61% | 0.61 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -65 | -30.6 | -176.4 | -68.7 | -35.1 | 0 | 0 | 0 | 112.7 | R317 F654 | R317-D656 IonicContact NH1-OD1 3.3Å; R317-D656 PolarHBondContact NH1-OD1 2.88Å; F654-D656 PolarHBondContact O-N 2.93Å |
| 657 | N | 90.5 | Very high | 91.3 | Very high | 76 Ų | 76 | 49.1 Ų | 49.1 | 41% | 0.406 | 26% | 0.259 | S | S | . | . | trans | -121.5 | 86.2 | 178.1 | -170.6 | -8.3 | 0 | 0 | 0 | 111.2 | I655 D659 E660 F661 | I655-N657 VanDerWaalsContact C-N 3.28Å; I655-N657 PolarHBondContact O-N 3.48Å; N657-D659 VanDerWaalsContact C-N 3.32Å; N657-D659 PolarHBondContact O-N 3.23Å; N657-E660 HydrophobicContact CB-CB 4Å; N657-E660 VanDerWaalsContact CG-CB 3.4Å; N657-E660 WeakPolarHBondContact ND2-CB 3.49Å; N657-E660 PolarHBondContact ND2-OE2 3.32Å; N657-E660 PolarHBondContact O-N 3.11Å; N657-E660 PolarHBondContact OD1-N 3.09Å; N657-E660 VanDerWaalsContact OD1-N 3.15Å; N657-F661 PolarHBondContact O-N 3.24Å | ||
| 658 | L | 90.7 | Very high | 91.4 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.1 | -31.4 | -175.7 | -158.4 | 68.5 | 0 | 0 | 0 | 112.7 | L314 T653 I655 E660 F661 V662 P684 V685 | L314-L658 HydrophobicContact CD1-CD1 3.72Å; T653-L658 HydrophobicContact CG2-CD1 4.39Å; I655-L658 HydrophobicContact CB-CD1 4.2Å; I655-L658 HydrophobicContact CD1-CD1 4.36Å; I655-L658 HydrophobicContact CG2-CD1 4.33Å; L658-E660 VanDerWaalsContact C-N 3.34Å; L658-F661 HydrophobicContact CD1-CD1 4.3Å; L658-F661 PolarHBondContact O-N 2.88Å; L658-V662 WeakPolarHBondContact O-CG2 3.33Å; L658-V662 PolarHBondContact O-N 3.19Å; L658-P684 HydrophobicContact CD2-CB 3.57Å; L658-P684 HydrophobicContact CD2-CG 3.9Å; L658-V685 HydrophobicContact CB-CG2 4.13Å; L658-V685 HydrophobicContact CD2-CB 4.41Å; L658-V685 HydrophobicContact CD2-CG2 3.62Å; L658-V685 HydrophobicContact CG-CG2 3.74Å |
| 659 | D | 92.2 | Very high | 91.4 | Very high | 87 Ų | 87 | 54 Ų | 54 | 47% | 0.465 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 173.8 | -81.8 | -71.1 | 0 | 0 | 0 | 112.3 | N657 V662 S663 V685 | N657-D659 VanDerWaalsContact C-N 3.32Å; N657-D659 PolarHBondContact O-N 3.23Å; D659-V662 PolarHBondContact O-N 3.35Å; D659-S663 WeakPolarHBondContact O-CB 3.14Å; D659-S663 PolarHBondContact O-N 2.81Å; D659-S663 PolarHBondContact O-OG 2.88Å; D659-V685 WeakPolarHBondContact OD1-CG1 3.46Å |
| 660 | E | 93.2 | Very high | 91.5 | Very high | 111 Ų | 111 | 50.5 Ų | 50.5 | 52% | 0.519 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 175.4 | 179.1 | 177.5 | 174 | 0 | 0 | 111.4 | N657 L658 V662 S663 R664 | N657-E660 HydrophobicContact CB-CB 4Å; N657-E660 VanDerWaalsContact CG-CB 3.4Å; N657-E660 WeakPolarHBondContact ND2-CB 3.49Å; N657-E660 PolarHBondContact ND2-OE2 3.32Å; N657-E660 PolarHBondContact O-N 3.11Å; N657-E660 PolarHBondContact OD1-N 3.09Å; N657-E660 VanDerWaalsContact OD1-N 3.15Å; L658-E660 VanDerWaalsContact C-N 3.34Å; E660-V662 VanDerWaalsContact C-N 3.34Å; E660-V662 PolarHBondContact O-N 3.34Å; E660-S663 WeakPolarHBondContact O-CB 3.17Å; E660-S663 PolarHBondContact O-N 2.99Å; E660-S663 VanDerWaalsContact O-N 3.11Å; E660-R664 WeakPolarHBondContact O-CG 3.34Å; E660-R664 PolarHBondContact O-N 3.32Å |
| 661 | F | 94.5 | Very high | 91.6 | Very high | 3 Ų | 3 | 56 Ų | 56 | 1% | 0.013 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.6 | -46.2 | 174.9 | 175.2 | -108.1 | 0 | 0 | 0 | 112 | L287 L306 L309 A310 L314 I655 N657 L658 S663 R664 L665 L680 | L287-F661 HydrophobicContact CD2-CE1 4.11Å; L287-F661 HydrophobicContact CD2-CZ 4Å; L306-F661 HydrophobicContact CD2-CD2 3.92Å; L306-F661 HydrophobicContact CD2-CE2 3.78Å; L309-F661 HydrophobicContact CD2-CD2 3.67Å; L309-F661 HydrophobicContact CD2-CE2 4.02Å; L309-F661 HydrophobicContact CG-CD2 4.28Å; L309-F661 HydrophobicContact CG-CE2 4.26Å; A310-F661 HydrophobicContact CB-CE2 4.48Å; A310-F661 HydrophobicContact CB-CZ 3.89Å; L314-F661 HydrophobicContact CD1-CE1 4.31Å; L314-F661 HydrophobicContact CD2-CE1 4.15Å; I655-F661 HydrophobicContact CD1-CB 4.3Å; I655-F661 HydrophobicContact CD1-CD1 3.96Å; I655-F661 HydrophobicContact CD1-CD2 3.92Å; I655-F661 HydrophobicContact CD1-CE1 4.25Å; I655-F661 HydrophobicContact CD1-CE2 4.22Å; I655-F661 HydrophobicContact CD1-CG 3.78Å; I655-F661 HydrophobicContact CD1-CZ 4.38Å; I655-F661 HydrophobicContact CG2-CB 3.89Å; I655-F661 HydrophobicContact CG2-CG 4.49Å; N657-F661 PolarHBondContact O-N 3.24Å; L658-F661 HydrophobicContact CD1-CD1 4.3Å; L658-F661 PolarHBondContact O-N 2.88Å; F661-S663 VanDerWaalsContact C-N 3.29Å; F661-S663 PolarHBondContact O-N 3.04Å; F661-R664 PolarHBondContact O-N 3.42Å; F661-L665 HydrophobicContact CD1-CD1 4.15Å; F661-L665 HydrophobicContact CE1-CD1 3.59Å; F661-L665 HydrophobicContact CE1-CG 4.34Å; F661-L665 HydrophobicContact CZ-CD1 3.85Å; F661-L665 HydrophobicContact CZ-CD2 4.41Å; F661-L665 HydrophobicContact CZ-CG 4.22Å; F661-L665 PolarHBondContact O-N 3.26Å; F661-L665 VanDerWaalsContact O-N 3.08Å; F661-L680 HydrophobicContact CE1-CD1 4.05Å |
| 662 | V | 94.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 175.1 | 167.4 | 0 | 0 | 0 | 0 | 111.8 | L658 D659 E660 L665 K666 I677 L680 V681 V685 | L658-V662 WeakPolarHBondContact O-CG2 3.33Å; L658-V662 PolarHBondContact O-N 3.19Å; D659-V662 PolarHBondContact O-N 3.35Å; E660-V662 VanDerWaalsContact C-N 3.34Å; E660-V662 PolarHBondContact O-N 3.34Å; V662-L665 PolarHBondContact O-N 3.5Å; V662-K666 HydrophobicContact CG1-CD 4.26Å; V662-K666 WeakPolarHBondContact O-CG 3.48Å; V662-K666 PolarHBondContact O-N 2.93Å; V662-I677 HydrophobicContact CG1-CG2 4.08Å; V662-L680 HydrophobicContact CG2-CB 3.88Å; V662-L680 HydrophobicContact CG2-CD1 4.17Å; V662-V681 HydrophobicContact CG1-CG2 3.72Å; V662-V685 HydrophobicContact CG2-CG2 3.85Å |
| 663 | S | 95.2 | Very high | 91.8 | Very high | 69 Ų | 69 | 57.2 Ų | 57.2 | 48% | 0.483 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 176.9 | -61.7 | 0 | 0 | 0 | 0 | 112.1 | D659 E660 F661 K666 A667 | D659-S663 WeakPolarHBondContact O-CB 3.14Å; D659-S663 PolarHBondContact O-N 2.81Å; D659-S663 PolarHBondContact O-OG 2.88Å; E660-S663 WeakPolarHBondContact O-CB 3.17Å; E660-S663 PolarHBondContact O-N 2.99Å; E660-S663 VanDerWaalsContact O-N 3.11Å; F661-S663 VanDerWaalsContact C-N 3.29Å; F661-S663 PolarHBondContact O-N 3.04Å; S663-K666 PolarHBondContact O-N 3.35Å; S663-A667 PolarHBondContact O-N 3.44Å |
| 664 | R | 94.6 | Very high | 91.8 | Very high | 78 Ų | 78 | 61 Ų | 61 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 174.3 | -66.7 | 177 | 64.8 | -177.4 | 1.6 | 112.2 | E305 L306 E660 F661 A667 | E305-R664 IonicContact OE1-CZ 3.5Å; E305-R664 IonicContact OE1-NH1 3.34Å; E305-R664 PolarHBondContact OE1-NH1 3.22Å; E305-R664 IonicContact OE1-NH2 2.73Å; E305-R664 PolarHBondContact OE1-NH2 3.34Å; E305-R664 IonicContact OE2-NH2 3.03Å; E305-R664 PolarHBondContact OE2-NH2 2.81Å; L306-R664 HydrophobicContact CD1-CB 4.16Å; L306-R664 HydrophobicContact CD2-CB 3.71Å; E660-R664 WeakPolarHBondContact O-CG 3.34Å; E660-R664 PolarHBondContact O-N 3.32Å; F661-R664 PolarHBondContact O-N 3.42Å; R664-A667 PolarHBondContact O-N 2.96Å |
| 665 | L | 93.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 172.9 | -69.6 | 173.7 | 0 | 0 | 0 | 111.8 | L287 L291 L306 F661 V662 A667 L668 L673 I677 L680 | L287-L665 HydrophobicContact CD1-CD1 4.09Å; L287-L665 HydrophobicContact CD1-CD2 4.02Å; L287-L665 HydrophobicContact CD2-CD1 3.99Å; L291-L665 HydrophobicContact CD1-CD2 4.23Å; L291-L665 HydrophobicContact CD2-CD2 4.39Å; L306-L665 HydrophobicContact CB-CD2 4.3Å; L306-L665 HydrophobicContact CD1-CD2 4.15Å; F661-L665 HydrophobicContact CD1-CD1 4.15Å; F661-L665 HydrophobicContact CE1-CD1 3.59Å; F661-L665 HydrophobicContact CE1-CG 4.34Å; F661-L665 HydrophobicContact CZ-CD1 3.85Å; F661-L665 HydrophobicContact CZ-CD2 4.41Å; F661-L665 HydrophobicContact CZ-CG 4.22Å; F661-L665 PolarHBondContact O-N 3.26Å; F661-L665 VanDerWaalsContact O-N 3.08Å; V662-L665 PolarHBondContact O-N 3.5Å; L665-A667 VanDerWaalsContact C-N 3.29Å; L665-A667 PolarHBondContact O-N 3.18Å; L665-L668 HydrophobicContact CD2-CD1 4.46Å; L665-L668 WeakPolarHBondContact O-CB 3.45Å; L665-L668 PolarHBondContact O-N 2.94Å; L665-L673 HydrophobicContact CD2-CD2 4.15Å; L665-I677 HydrophobicContact CB-CD1 4.04Å; L665-I677 HydrophobicContact CB-CG1 3.95Å; L665-I677 HydrophobicContact CD1-CG1 4.47Å; L665-L680 HydrophobicContact CD1-CD1 3.79Å |
| 666 | K | 93.1 | Very high | 91.8 | Very high | 107 Ų | 107 | 59.4 Ų | 59.4 | 47% | 0.465 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.4 | -38.5 | 175.9 | -74.5 | 173.7 | -179.8 | 174.5 | 0 | 111.7 | V662 S663 L668 N669 I677 | V662-K666 HydrophobicContact CG1-CD 4.26Å; V662-K666 WeakPolarHBondContact O-CG 3.48Å; V662-K666 PolarHBondContact O-N 2.93Å; S663-K666 PolarHBondContact O-N 3.35Å; K666-L668 PolarHBondContact O-N 3.43Å; K666-L668 VanDerWaalsContact O-N 3.17Å; K666-N669 PolarHBondContact O-N 3.23Å; K666-N669 PolarHBondContact O-OD1 2.93Å; K666-N669 VanDerWaalsContact O-OD1 3.14Å; K666-I677 HydrophobicContact CD-CG2 4.29Å; K666-I677 VanDerWaalsContact CE-CG2 3.44Å; K666-I677 HydrophobicContact CG-CD1 3.94Å; K666-I677 HydrophobicContact CG-CG2 3.85Å |
| 667 | A | 92.2 | Very high | 92.1 | Very high | 65 Ų | 65 | 54.7 Ų | 54.7 | 54% | 0.537 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64 | -17.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K299 S663 R664 L665 N669 | K299-A667 PolarHBondContact NZ-O 2.86Å; S663-A667 PolarHBondContact O-N 3.44Å; R664-A667 PolarHBondContact O-N 2.96Å; L665-A667 VanDerWaalsContact C-N 3.29Å; L665-A667 PolarHBondContact O-N 3.18Å; A667-N669 PolarHBondContact O-N 3.48Å |
| 668 | L | 91 | Very high | 92.3 | Very high | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -20 | 171.3 | -61.8 | 177.6 | 0 | 0 | 0 | 112.3 | L291 K299 E302 L306 L665 K666 M670 L673 | L291-L668 HydrophobicContact CD2-CD1 3.62Å; K299-L668 HydrophobicContact CB-CD2 4.21Å; K299-L668 HydrophobicContact CD-CD2 4Å; K299-L668 PolarHBondContact NZ-O 3.44Å; E302-L668 HydrophobicContact CB-CD2 4.03Å; L306-L668 HydrophobicContact CD1-CD1 3.84Å; L306-L668 HydrophobicContact CD1-CD2 4.32Å; L306-L668 HydrophobicContact CD1-CG 4.13Å; L665-L668 HydrophobicContact CD2-CD1 4.46Å; L665-L668 WeakPolarHBondContact O-CB 3.45Å; L665-L668 PolarHBondContact O-N 2.94Å; K666-L668 PolarHBondContact O-N 3.43Å; K666-L668 VanDerWaalsContact O-N 3.17Å; L668-M670 VanDerWaalsContact C-N 3.25Å; L668-M670 HydrophobicContact CB-CG 4.19Å; L668-M670 HydrophobicContact CB-SD 4Å; L668-M670 HydrophobicContact CD1-SD 4.35Å; L668-M670 PolarHBondContact O-N 2.91Å; L668-L673 HydrophobicContact CB-CD1 4.2Å; L668-L673 HydrophobicContact CD1-CD1 3.7Å |
| 669 | N | 89.1 | Confident | 92.4 | Very high | 134 Ų | 134 | 57.1 Ų | 57.1 | 72% | 0.717 | 32% | 0.319 | S | S | * | . | trans | 52.1 | 40.6 | 178.4 | -67.4 | -25.3 | 0 | 0 | 0 | 113.4 | K666 A667 | K666-N669 PolarHBondContact O-N 3.23Å; K666-N669 PolarHBondContact O-OD1 2.93Å; K666-N669 VanDerWaalsContact O-OD1 3.14Å; A667-N669 PolarHBondContact O-N 3.48Å | ||
| 670 | M | 89.3 | Confident | 92.5 | Very high | 18 Ų | 18 | 53 Ų | 53 | 9% | 0.089 | 30% | 0.297 | C | S | . | . | trans | -105.7 | 121.7 | -178 | -72.1 | 170.9 | 58.5 | 0 | 0 | 110.6 | G294 P296 L668 S672 L673 | G294-M670 WeakPolarHBondContact O-CE 3.39Å; P296-M670 VanDerWaalsContact CD-SD 3.52Å; P296-M670 HydrophobicContact CG-CG 4.31Å; P296-M670 HydrophobicContact CG-SD 4.39Å; L668-M670 VanDerWaalsContact C-N 3.25Å; L668-M670 HydrophobicContact CB-CG 4.19Å; L668-M670 HydrophobicContact CB-SD 4Å; L668-M670 HydrophobicContact CD1-SD 4.35Å; L668-M670 PolarHBondContact O-N 2.91Å; M670-S672 PolarHBondContact O-N 3.38Å; M670-L673 HydrophobicContact CB-CB 4.28Å; M670-L673 HydrophobicContact CB-CD1 3.74Å; M670-L673 HydrophobicContact CB-CG 4.39Å; M670-L673 HydrophobicContact CE-CD1 3.89Å; M670-L673 HydrophobicContact CG-CD1 4.23Å; M670-L673 WeakPolarHBondContact O-CB 3.1Å; M670-L673 PolarHBondContact O-N 2.82Å; M670-L673 HydrophobicContact SD-CD1 3.65Å | ||
| 671 | N | 88.8 | Confident | 92.6 | Very high | 151 Ų | 151 | 49.4 Ų | 49.4 | 81% | 0.807 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -61.6 | -29.2 | 179.7 | -68 | -18.9 | 0 | 0 | 0 | 113.3 | L673 T674 | N671-L673 VanDerWaalsContact C-N 3.26Å; N671-L673 PolarHBondContact O-N 2.92Å; N671-T674 WeakPolarHBondContact O-CB 3.25Å; N671-T674 PolarHBondContact O-N 3.22Å; N671-T674 PolarHBondContact O-OG1 2.89Å |
| 672 | S | 90.2 | Very high | 92.5 | Very high | 57 Ų | 57 | 53.8 Ų | 53.8 | 40% | 0.399 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -65.1 | -29.2 | 176.8 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | M670 | M670-S672 PolarHBondContact O-N 3.38Š|
| 673 | L | 92.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -79.9 | -18.8 | -179.1 | -88.3 | 154.3 | 0 | 0 | 0 | 113.5 | L287 T290 L291 L665 L668 M670 N671 S675 H676 I677 | L287-L673 HydrophobicContact CD1-CD2 3.22Å; T290-L673 HydrophobicContact CG2-CG 4.32Å; L291-L673 HydrophobicContact CD2-CD1 3.97Å; L291-L673 HydrophobicContact CD2-CD2 4.25Å; L291-L673 HydrophobicContact CG-CD2 4.46Å; L665-L673 HydrophobicContact CD2-CD2 4.15Å; L668-L673 HydrophobicContact CB-CD1 4.2Å; L668-L673 HydrophobicContact CD1-CD1 3.7Å; M670-L673 HydrophobicContact CB-CB 4.28Å; M670-L673 HydrophobicContact CB-CD1 3.74Å; M670-L673 HydrophobicContact CB-CG 4.39Å; M670-L673 HydrophobicContact CE-CD1 3.89Å; M670-L673 HydrophobicContact CG-CD1 4.23Å; M670-L673 WeakPolarHBondContact O-CB 3.1Å; M670-L673 PolarHBondContact O-N 2.82Å; M670-L673 HydrophobicContact SD-CD1 3.65Å; N671-L673 VanDerWaalsContact C-N 3.26Å; N671-L673 PolarHBondContact O-N 2.92Å; L673-S675 VanDerWaalsContact C-N 3.33Å; L673-S675 PolarHBondContact O-N 3.17Å; L673-H676 PolarHBondContact O-N 3.32Å; L673-I677 HydrophobicContact CB-CD1 3.93Å; L673-I677 HydrophobicContact CB-CG1 4.45Å; L673-I677 WeakPolarHBondContact O-CG1 3.46Å; L673-I677 PolarHBondContact O-N 3.41Å |
| 674 | T | 92 | Very high | 92.3 | Very high | 82 Ų | 82 | 51.5 Ų | 51.5 | 50% | 0.503 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -53 | -46.1 | -172.8 | -56.1 | 0 | 0 | 0 | 0 | 113.1 | N671 H676 I677 Q678 | N671-T674 WeakPolarHBondContact O-CB 3.25Å; N671-T674 PolarHBondContact O-N 3.22Å; N671-T674 PolarHBondContact O-OG1 2.89Å; T674-H676 VanDerWaalsContact C-N 3.35Å; T674-H676 PolarHBondContact O-N 3.48Å; T674-I677 PolarHBondContact O-N 3.42Å; T674-Q678 WeakPolarHBondContact O-CB 3.41Å; T674-Q678 PolarHBondContact O-N 3.2Å |
| 675 | S | 92.1 | Very high | 92.2 | Very high | 66 Ų | 66 | 48.2 Ų | 48.2 | 46% | 0.462 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.9 | -34.9 | -179.7 | 68.7 | 0 | 0 | 0 | 0 | 113.1 | L673 A679 | L673-S675 VanDerWaalsContact C-N 3.33Å; L673-S675 PolarHBondContact O-N 3.17Å; S675-A679 PolarHBondContact O-N 3.1Å; S675-A679 VanDerWaalsContact O-N 3.14Å |
| 676 | H | 92.7 | Very high | 92.1 | Very high | 12 Ų | 12 | 53.5 Ų | 53.5 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -73.3 | -41.7 | 178.1 | -52.3 | -42.4 | 0 | 0 | 0 | 111.4 | L287 T290 L673 T674 Q678 A679 L680 | L287-H676 HydrophobicContact CD1-CB 4.14Å; T290-H676 PolarHBondContact OG1-NE2 3.31Å; T290-H676 VanDerWaalsContact OG1-NE2 3.09Å; L673-H676 PolarHBondContact O-N 3.32Å; T674-H676 VanDerWaalsContact C-N 3.35Å; T674-H676 PolarHBondContact O-N 3.48Å; H676-Q678 VanDerWaalsContact C-N 3.34Å; H676-A679 PolarHBondContact O-N 3.06Å; H676-L680 WeakPolarHBondContact O-CG 3.23Å; H676-L680 PolarHBondContact O-N 2.8Å |
| 677 | I | 93.2 | Very high | 92.1 | Very high | 15 Ų | 15 | 48.7 Ų | 48.7 | 8% | 0.077 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.2 | -47 | 174.1 | -72 | 167.5 | 0 | 0 | 0 | 110.1 | V662 L665 K666 L673 T674 A679 L680 V681 | V662-I677 HydrophobicContact CG1-CG2 4.08Å; L665-I677 HydrophobicContact CB-CD1 4.04Å; L665-I677 HydrophobicContact CB-CG1 3.95Å; L665-I677 HydrophobicContact CD1-CG1 4.47Å; K666-I677 HydrophobicContact CD-CG2 4.29Å; K666-I677 VanDerWaalsContact CE-CG2 3.44Å; K666-I677 HydrophobicContact CG-CD1 3.94Å; K666-I677 HydrophobicContact CG-CG2 3.85Å; L673-I677 HydrophobicContact CB-CD1 3.93Å; L673-I677 HydrophobicContact CB-CG1 4.45Å; L673-I677 WeakPolarHBondContact O-CG1 3.46Å; L673-I677 PolarHBondContact O-N 3.41Å; T674-I677 PolarHBondContact O-N 3.42Å; I677-A679 PolarHBondContact O-N 3.02Å; I677-L680 PolarHBondContact O-N 2.9Å; I677-V681 HydrophobicContact CG2-CG2 4.43Å; I677-V681 WeakPolarHBondContact O-CG2 3.37Å; I677-V681 PolarHBondContact O-N 2.75Å |
| 678 | Q | 93.7 | Very high | 92 | Very high | 95 Ų | 95 | 47 Ų | 47 | 44% | 0.444 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 180 | -168.5 | 60.9 | 31.3 | 0 | 0 | 111.8 | T674 H676 L680 V681 D682 | T674-Q678 WeakPolarHBondContact O-CB 3.41Å; T674-Q678 PolarHBondContact O-N 3.2Å; H676-Q678 VanDerWaalsContact C-N 3.34Å; Q678-L680 VanDerWaalsContact C-N 3.31Å; Q678-L680 PolarHBondContact O-N 2.77Å; Q678-V681 PolarHBondContact O-N 3.45Å; Q678-D682 WeakPolarHBondContact CG-OD2 3.45Å; Q678-D682 PolarHBondContact NE2-OD1 3.49Å; Q678-D682 PolarHBondContact NE2-OD2 3.45Å; Q678-D682 WeakPolarHBondContact O-CB 3.49Å; Q678-D682 PolarHBondContact O-N 2.91Å |
| 679 | A | 93.5 | Very high | 92 | Very high | 37 Ų | 37 | 50.2 Ų | 50.2 | 31% | 0.306 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.1 | -36.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I283 S675 H676 I677 G683 | I283-A679 HydrophobicContact CD1-CB 3.93Å; I283-A679 HydrophobicContact CG1-CB 4.21Å; S675-A679 PolarHBondContact O-N 3.1Å; S675-A679 VanDerWaalsContact O-N 3.14Å; H676-A679 PolarHBondContact O-N 3.06Å; I677-A679 PolarHBondContact O-N 3.02Å; A679-G683 PolarHBondContact O-N 3.3Å |
| 680 | L | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.5 | -40.9 | 173.5 | -72.2 | 173.6 | 0 | 0 | 0 | 112.4 | L280 I283 L287 L314 F661 V662 L665 H676 I677 Q678 P684 V685 | L280-L680 HydrophobicContact CD1-CD2 4.16Å; I283-L680 HydrophobicContact CG2-CD2 3.77Å; I283-L680 HydrophobicContact CG2-CG 3.96Å; L287-L680 HydrophobicContact CD2-CD1 4.15Å; L314-L680 HydrophobicContact CD1-CD2 4.14Å; L314-L680 HydrophobicContact CD2-CD2 4.1Å; F661-L680 HydrophobicContact CE1-CD1 4.05Å; V662-L680 HydrophobicContact CG2-CB 3.88Å; V662-L680 HydrophobicContact CG2-CD1 4.17Å; L665-L680 HydrophobicContact CD1-CD1 3.79Å; H676-L680 WeakPolarHBondContact O-CG 3.23Å; H676-L680 PolarHBondContact O-N 2.8Å; I677-L680 PolarHBondContact O-N 2.9Å; Q678-L680 VanDerWaalsContact C-N 3.31Å; Q678-L680 PolarHBondContact O-N 2.77Å; L680-P684 HydrophobicContact CB-CG 4.49Å; L680-P684 HydrophobicContact CD2-CG 3.84Å; L680-P684 WeakPolarHBondContact O-CD 3.48Å; L680-P684 VanDerWaalsContact O-CG 3.28Å; L680-P684 WeakPolarHBondContact O-CG 3.25Å; L680-V685 WeakPolarHBondContact O-CB 3.43Å; L680-V685 WeakPolarHBondContact O-CG2 3.49Å; L680-V685 PolarHBondContact O-N 3.37Å |
| 681 | V | 94.6 | Very high | 92.1 | Very high | 37 Ų | 37 | 47.4 Ų | 47.4 | 22% | 0.224 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -65.2 | -50 | 178.7 | 171.6 | 0 | 0 | 0 | 0 | 111 | V662 I677 Q678 G683 K686 | V662-V681 HydrophobicContact CG1-CG2 3.72Å; I677-V681 HydrophobicContact CG2-CG2 4.43Å; I677-V681 WeakPolarHBondContact O-CG2 3.37Å; I677-V681 PolarHBondContact O-N 2.75Å; Q678-V681 PolarHBondContact O-N 3.45Å; V681-G683 VanDerWaalsContact C-N 3.35Å; V681-G683 PolarHBondContact O-N 3.38Å; V681-K686 WeakPolarHBondContact O-CB 3.28Å; V681-K686 PolarHBondContact O-N 2.92Å; V681-K686 VanDerWaalsContact O-N 3.16Å |
| 682 | D | 93.3 | Very high | 92.2 | Very high | 94 Ų | 94 | 42.1 Ų | 42.1 | 50% | 0.503 | 26% | 0.259 | S | S | . | . | I | π-helix | trans | -74.8 | -24.4 | -173 | -69.8 | -22.6 | 0 | 0 | 0 | 113.5 | Q678 | Q678-D682 WeakPolarHBondContact CG-OD2 3.45Å; Q678-D682 PolarHBondContact NE2-OD1 3.49Å; Q678-D682 PolarHBondContact NE2-OD2 3.45Å; Q678-D682 WeakPolarHBondContact O-CB 3.49Å; Q678-D682 PolarHBondContact O-N 2.91Å |
| 683 | G | 91.8 | Very high | 92.3 | Very high | 22 Ų | 22 | 44.1 Ų | 44.1 | 23% | 0.227 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -99.5 | -96.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A679 V681 V685 K686 L687 | A679-G683 PolarHBondContact O-N 3.3Å; V681-G683 VanDerWaalsContact C-N 3.35Å; V681-G683 PolarHBondContact O-N 3.38Å; G683-V685 PolarHBondContact O-N 2.82Å; G683-K686 PolarHBondContact O-N 3.38Å; G683-L687 WeakPolarHBondContact O-CB 3.32Å; G683-L687 PolarHBondContact O-N 2.91Å |
| 684 | P | 92 | Very high | 92.4 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.013 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -65.2 | -36.3 | -167.2 | 26.6 | -36.9 | 0 | 0 | 0 | 114.3 | V276 L280 L652 L658 L680 D688 | V276-P684 HydrophobicContact CG1-CB 3.91Å; L280-P684 HydrophobicContact CD1-CB 4.48Å; L280-P684 HydrophobicContact CD1-CG 4.11Å; L652-P684 HydrophobicContact CD2-CB 3.85Å; L658-P684 HydrophobicContact CD2-CB 3.57Å; L658-P684 HydrophobicContact CD2-CG 3.9Å; L680-P684 HydrophobicContact CB-CG 4.49Å; L680-P684 HydrophobicContact CD2-CG 3.84Å; L680-P684 WeakPolarHBondContact O-CD 3.48Å; L680-P684 VanDerWaalsContact O-CG 3.28Å; L680-P684 WeakPolarHBondContact O-CG 3.25Å; P684-D688 VanDerWaalsContact O-CB 3.31Å; P684-D688 WeakPolarHBondContact O-CB 3.24Å; P684-D688 PolarHBondContact O-N 3.47Å |
| 685 | V | 93 | Very high | 92.4 | Very high | 10 Ų | 10 | 44.1 Ų | 44.1 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -66.3 | -51.9 | 178.1 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | L658 D659 V662 L680 G683 L687 D688 A689 | L658-V685 HydrophobicContact CB-CG2 4.13Å; L658-V685 HydrophobicContact CD2-CB 4.41Å; L658-V685 HydrophobicContact CD2-CG2 3.62Å; L658-V685 HydrophobicContact CG-CG2 3.74Å; D659-V685 WeakPolarHBondContact OD1-CG1 3.46Å; V662-V685 HydrophobicContact CG2-CG2 3.85Å; L680-V685 WeakPolarHBondContact O-CB 3.43Å; L680-V685 WeakPolarHBondContact O-CG2 3.49Å; L680-V685 PolarHBondContact O-N 3.37Å; G683-V685 PolarHBondContact O-N 2.82Å; V685-L687 VanDerWaalsContact C-N 3.28Å; V685-L687 PolarHBondContact O-N 3.41Å; V685-D688 PolarHBondContact O-N 3.45Å; V685-A689 PolarHBondContact O-N 3.19Å |
| 686 | K | 92.7 | Very high | 92.6 | Very high | 112 Ų | 112 | 44.9 Ų | 44.9 | 49% | 0.487 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.1 | -41.9 | 177.9 | -176.6 | -179.6 | 178.7 | -173.7 | 0 | 111.8 | V681 G683 A689 T690 | V681-K686 WeakPolarHBondContact O-CB 3.28Å; V681-K686 PolarHBondContact O-N 2.92Å; V681-K686 VanDerWaalsContact O-N 3.16Å; G683-K686 PolarHBondContact O-N 3.38Å; K686-A689 PolarHBondContact O-N 3.07Å; K686-T690 PolarHBondContact O-N 2.89Å |
| 687 | L | 91.7 | Very high | 92.7 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.9 | -47.5 | 178.2 | -175.7 | 62.3 | 0 | 0 | 0 | 111.9 | F269 L273 V276 L652 G683 V685 A689 T690 | F269-L687 HydrophobicContact CD2-CD1 3.39Å; F269-L687 HydrophobicContact CD2-CG 4.32Å; F269-L687 HydrophobicContact CE2-CD1 3.61Å; F269-L687 HydrophobicContact CE2-CG 4.05Å; F269-L687 HydrophobicContact CG-CD1 4.15Å; L273-L687 VanDerWaalsContact CA-CD2 3.47Å; L273-L687 HydrophobicContact CB-CD2 3.98Å; L273-L687 HydrophobicContact CD1-CD2 4.11Å; V276-L687 HydrophobicContact CB-CD2 4.31Å; V276-L687 HydrophobicContact CG2-CD2 3.99Å; L652-L687 HydrophobicContact CD1-CD2 4.5Å; L652-L687 HydrophobicContact CD2-CB 4.33Å; L652-L687 HydrophobicContact CD2-CD2 3.97Å; L652-L687 HydrophobicContact CD2-CG 4.38Å; G683-L687 WeakPolarHBondContact O-CB 3.32Å; G683-L687 PolarHBondContact O-N 2.91Å; V685-L687 VanDerWaalsContact C-N 3.28Å; V685-L687 PolarHBondContact O-N 3.41Å; L687-A689 PolarHBondContact O-N 3.43Å; L687-T690 PolarHBondContact O-N 3.38Å; L687-T690 PolarHBondContact O-OG1 3.45Å |
| 688 | D | 90.3 | Very high | 92.7 | Very high | 28 Ų | 28 | 44.6 Ų | 44.6 | 15% | 0.15 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61 | -33.2 | 178.8 | -164.9 | 71.8 | 0 | 0 | 0 | 111.8 | L652 P684 V685 T690 R691 | L652-D688 HydrophobicContact CB-CB 4.25Å; L652-D688 WeakPolarHBondContact CB-OD1 3.43Å; L652-D688 PolarHBondContact N-OD1 3.41Å; P684-D688 VanDerWaalsContact O-CB 3.31Å; P684-D688 WeakPolarHBondContact O-CB 3.24Å; P684-D688 PolarHBondContact O-N 3.47Å; V685-D688 PolarHBondContact O-N 3.45Å; D688-T690 VanDerWaalsContact C-N 3.3Å; D688-T690 PolarHBondContact O-N 3.29Å; D688-R691 WeakPolarHBondContact O-CB 3.46Å; D688-R691 PolarHBondContact O-N 3.14Å; D688-R691 IonicContact OD1-NE 3.36Å; D688-R691 PolarHBondContact OD1-NE 3.3Å |
| 689 | A | 90.6 | Very high | 92.6 | Very high | 76 Ų | 76 | 44.1 Ų | 44.1 | 63% | 0.628 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -64.8 | -28.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V685 K686 L687 R691 | V685-A689 PolarHBondContact O-N 3.19Å; K686-A689 PolarHBondContact O-N 3.07Å; L687-A689 PolarHBondContact O-N 3.43Å; A689-R691 VanDerWaalsContact C-N 3.29Å; A689-R691 PolarHBondContact O-N 3.44Å |
| 690 | T | 91.2 | Very high | 92.7 | Very high | 39 Ų | 39 | 46.9 Ų | 46.9 | 24% | 0.239 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -80 | -11.8 | 178.7 | 63.6 | 0 | 0 | 0 | 0 | 113.9 | F269 K686 L687 D688 G692 N693 I694 | F269-T690 WeakPolarHBondContact CD2-OG1 3.38Å; K686-T690 PolarHBondContact O-N 2.89Å; L687-T690 PolarHBondContact O-N 3.38Å; L687-T690 PolarHBondContact O-OG1 3.45Å; D688-T690 VanDerWaalsContact C-N 3.3Å; D688-T690 PolarHBondContact O-N 3.29Å; T690-G692 VanDerWaalsContact C-N 3.3Å; T690-G692 PolarHBondContact O-N 2.87Å; T690-N693 PolarHBondContact O-N 3.17Å; T690-I694 PolarHBondContact O-N 3.21Å |
| 691 | R | 90 | Very high | 92.7 | Very high | 54 Ų | 54 | 46.9 Ų | 46.9 | 20% | 0.204 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.2 | -40.3 | -173.7 | -171.7 | 169.9 | 62.1 | 76.5 | -3.3 | 113.7 | V648 N649 T650 D688 A689 N693 I694 Y695 | V648-R691 HydrophobicContact CG2-CG 3.93Å; V648-R691 WeakPolarHBondContact O-CD 3.29Å; V648-R691 WeakPolarHBondContact O-CG 3.44Å; V648-R691 PolarHBondContact O-NH1 3.09Å; N649-R691 VanDerWaalsContact C-NH1 3.32Å; N649-R691 PolarHBondContact O-NH1 3.37Å; T650-R691 WeakPolarHBondContact O-CD 3.46Å; D688-R691 WeakPolarHBondContact O-CB 3.46Å; D688-R691 PolarHBondContact O-N 3.14Å; D688-R691 IonicContact OD1-NE 3.36Å; D688-R691 PolarHBondContact OD1-NE 3.3Å; A689-R691 VanDerWaalsContact C-N 3.29Å; A689-R691 PolarHBondContact O-N 3.44Å; R691-N693 PolarHBondContact O-N 2.7Å; R691-I694 PolarHBondContact O-N 3.08Å; R691-Y695 WeakPolarHBondContact O-CB 3.29Å; R691-Y695 PolarHBondContact O-N 3.26Å |
| 692 | G | 90.6 | Very high | 92.6 | Very high | 41 Ų | 41 | 46.7 Ų | 46.7 | 42% | 0.423 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T690 Y695 T696 | T690-G692 VanDerWaalsContact C-N 3.3Å; T690-G692 PolarHBondContact O-N 2.87Å; G692-Y695 WeakPolarHBondContact O-CB 3.33Å; G692-Y695 PolarHBondContact O-N 3.26Å; G692-T696 WeakPolarHBondContact O-CG2 3.43Å; G692-T696 PolarHBondContact O-N 2.98Å; G692-T696 VanDerWaalsContact O-N 3.1Å |
| 693 | N | 93.5 | Very high | 92.7 | Very high | 99 Ų | 99 | 43.8 Ų | 43.8 | 53% | 0.529 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65 | -45.8 | 177.5 | -68.5 | -9 | 0 | 0 | 0 | 110.6 | T690 R691 Y695 T696 L697 | T690-N693 PolarHBondContact O-N 3.17Å; R691-N693 PolarHBondContact O-N 2.7Å; N693-Y695 VanDerWaalsContact C-N 3.32Å; N693-Y695 PolarHBondContact O-N 3.49Å; N693-T696 PolarHBondContact O-N 2.87Å; N693-T696 VanDerWaalsContact O-N 3.12Å; N693-T696 PolarHBondContact O-OG1 3.04Å; N693-L697 PolarHBondContact O-N 3.36Å |
| 694 | I | 93 | Very high | 92.8 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.9 | -38.3 | 178.2 | -56.9 | -55.6 | 0 | 0 | 0 | 111.6 | Q265 I266 F269 V648 T690 R691 T696 L697 F698 | Q265-I694 HydrophobicContact CB-CD1 4.01Å; I266-I694 HydrophobicContact CG1-CD1 4.45Å; F269-I694 HydrophobicContact CB-CD1 3.92Å; F269-I694 HydrophobicContact CB-CG1 3.84Å; F269-I694 HydrophobicContact CD1-CG1 4.33Å; F269-I694 HydrophobicContact CD1-CG2 4.16Å; F269-I694 HydrophobicContact CD2-CG1 3.69Å; F269-I694 HydrophobicContact CE1-CG2 4.48Å; F269-I694 HydrophobicContact CE2-CG1 4.32Å; F269-I694 HydrophobicContact CG-CB 4.48Å; F269-I694 HydrophobicContact CG-CD1 4.33Å; F269-I694 HydrophobicContact CG-CG1 3.69Å; F269-I694 HydrophobicContact CG-CG2 4.36Å; V648-I694 HydrophobicContact CG2-CB 4.01Å; V648-I694 HydrophobicContact CG2-CG2 3.84Å; T690-I694 PolarHBondContact O-N 3.21Å; R691-I694 PolarHBondContact O-N 3.08Å; I694-T696 VanDerWaalsContact C-N 3.33Å; I694-T696 PolarHBondContact O-N 2.68Å; I694-L697 HydrophobicContact CD1-CD1 4.19Å; I694-L697 PolarHBondContact O-N 3.35Å; I694-F698 HydrophobicContact CG2-CD2 3.83Å; I694-F698 HydrophobicContact CG2-CE2 3.48Å; I694-F698 VanDerWaalsContact CG2-CE2 3.48Å; I694-F698 HydrophobicContact CG2-CZ 3.96Å; I694-F698 PolarHBondContact O-N 3.42Å |
| 695 | Y | 93.7 | Very high | 93 | Very high | 77 Ų | 77 | 43.3 Ų | 43.3 | 30% | 0.302 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -55.5 | -46.7 | 171.6 | 177.4 | -92.6 | 0 | 0 | 0 | 111.8 | I645 V648 N649 R691 G692 N693 L697 F698 M699 | I645-Y695 HydrophobicContact CG2-CD2 4.09Å; I645-Y695 HydrophobicContact CG2-CE2 3.51Å; V648-Y695 HydrophobicContact CG1-CD2 3.76Å; V648-Y695 HydrophobicContact CG1-CG 4.27Å; N649-Y695 HydrophobicContact CB-CD2 4.13Å; N649-Y695 HydrophobicContact CB-CE2 4.16Å; R691-Y695 WeakPolarHBondContact O-CB 3.29Å; R691-Y695 PolarHBondContact O-N 3.26Å; G692-Y695 WeakPolarHBondContact O-CB 3.33Å; G692-Y695 PolarHBondContact O-N 3.26Å; N693-Y695 VanDerWaalsContact C-N 3.32Å; N693-Y695 PolarHBondContact O-N 3.49Å; Y695-L697 VanDerWaalsContact C-N 3.33Å; Y695-L697 PolarHBondContact O-N 2.91Å; Y695-F698 PolarHBondContact O-N 3.2Å; Y695-M699 HydrophobicContact CD1-CG 4.13Å; Y695-M699 HydrophobicContact CE1-CG 3.68Å; Y695-M699 HydrophobicContact CE2-CG 4.24Å; Y695-M699 WeakPolarHBondContact O-CB 3.36Å; Y695-M699 WeakPolarHBondContact O-CG 3.31Å; Y695-M699 PolarHBondContact O-N 2.66Å |
| 696 | T | 94.9 | Very high | 93 | Very high | 83 Ų | 83 | 48.1 Ų | 48.1 | 51% | 0.509 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.3 | -36.8 | 177.5 | 66.1 | 0 | 0 | 0 | 0 | 112.8 | G692 N693 I694 M699 R700 | G692-T696 WeakPolarHBondContact O-CG2 3.43Å; G692-T696 PolarHBondContact O-N 2.98Å; G692-T696 VanDerWaalsContact O-N 3.1Å; N693-T696 PolarHBondContact O-N 2.87Å; N693-T696 VanDerWaalsContact O-N 3.12Å; N693-T696 PolarHBondContact O-OG1 3.04Å; I694-T696 VanDerWaalsContact C-N 3.33Å; I694-T696 PolarHBondContact O-N 2.68Å; T696-M699 PolarHBondContact O-N 3.25Å; T696-R700 WeakPolarHBondContact O-CB 3.37Å; T696-R700 PolarHBondContact O-N 3.35Å |
| 697 | L | 94.4 | Very high | 93.2 | Very high | 21 Ų | 21 | 45.4 Ų | 45.4 | 11% | 0.11 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.2 | -45.8 | 176.1 | -66.7 | -179.7 | 0 | 0 | 0 | 111.3 | F256 A262 Q265 I266 N693 I694 Y695 R700 F701 | F256-L697 HydrophobicContact CE1-CB 4.34Å; F256-L697 HydrophobicContact CZ-CB 4.45Å; F256-L697 WeakPolarHBondContact CZ-O 3.43Å; A262-L697 HydrophobicContact CB-CD1 4.14Å; A262-L697 HydrophobicContact CB-CD2 3.8Å; Q265-L697 HydrophobicContact CB-CD1 4Å; I266-L697 HydrophobicContact CD1-CB 4.19Å; I266-L697 HydrophobicContact CD1-CD1 4.4Å; I266-L697 HydrophobicContact CG1-CB 4.44Å; I266-L697 HydrophobicContact CG1-CD1 4.06Å; N693-L697 PolarHBondContact O-N 3.36Å; I694-L697 HydrophobicContact CD1-CD1 4.19Å; I694-L697 PolarHBondContact O-N 3.35Å; Y695-L697 VanDerWaalsContact C-N 3.33Å; Y695-L697 PolarHBondContact O-N 2.91Å; L697-R700 PolarHBondContact O-N 3.14Å; L697-F701 WeakPolarHBondContact O-CB 3.36Å; L697-F701 PolarHBondContact O-N 3.04Å |
| 698 | F | 93.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 176 | -73.7 | -33.1 | 0 | 0 | 0 | 112.3 | I266 F323 I325 V328 I641 A644 I645 V648 I694 Y695 R700 F701 N702 | I266-F698 HydrophobicContact CD1-CD1 4.3Å; I266-F698 HydrophobicContact CD1-CE1 4.04Å; I266-F698 HydrophobicContact CG1-CE1 4.25Å; I266-F698 HydrophobicContact CG2-CE1 4.14Å; I266-F698 HydrophobicContact CG2-CZ 4.34Å; F323-F698 HydrophobicContact CD1-CE2 4.01Å; I325-F698 HydrophobicContact CD1-CE1 4.33Å; I325-F698 HydrophobicContact CD1-CZ 3.89Å; V328-F698 HydrophobicContact CG2-CE1 4.25Å; I641-F698 HydrophobicContact CD1-CB 3.87Å; I641-F698 HydrophobicContact CD1-CD1 3.79Å; I641-F698 HydrophobicContact CD1-CG 4.15Å; I641-F698 VanDerWaalsContact CD1-O 3.26Å; I641-F698 WeakPolarHBondContact CD1-O 3.24Å; A644-F698 HydrophobicContact CB-CD2 4.3Å; A644-F698 HydrophobicContact CB-CE2 4.19Å; A644-F698 HydrophobicContact CB-CZ 4.45Å; I645-F698 HydrophobicContact CD1-CB 4.49Å; I645-F698 HydrophobicContact CG1-CB 3.65Å; V648-F698 HydrophobicContact CB-CD2 4.21Å; V648-F698 HydrophobicContact CB-CE2 4.3Å; V648-F698 HydrophobicContact CG1-CD2 3.96Å; V648-F698 HydrophobicContact CG2-CE2 4.46Å; I694-F698 HydrophobicContact CG2-CD2 3.83Å; I694-F698 HydrophobicContact CG2-CE2 3.48Å; I694-F698 VanDerWaalsContact CG2-CE2 3.48Å; I694-F698 HydrophobicContact CG2-CZ 3.96Å; I694-F698 PolarHBondContact O-N 3.42Å; Y695-F698 PolarHBondContact O-N 3.2Å; F698-R700 VanDerWaalsContact C-N 3.32Å; F698-R700 PolarHBondContact O-N 2.68Å; F698-F701 PolarHBondContact O-N 2.91Å; F698-N702 VanDerWaalsContact O-CB 3.25Å; F698-N702 WeakPolarHBondContact O-CB 3.29Å; F698-N702 PolarHBondContact O-N 3.34Å |
| 699 | M | 93.5 | Very high | 93.5 | Very high | 85 Ų | 85 | 47.8 Ų | 47.8 | 42% | 0.419 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.9 | -44.2 | 173.1 | -75.4 | -65.9 | -67.3 | 0 | 0 | 111.9 | I645 Y695 T696 N702 S703 | I645-M699 HydrophobicContact CD1-SD 3.79Å; I645-M699 HydrophobicContact CG1-SD 4.33Å; I645-M699 HydrophobicContact CG2-CG 4.42Å; I645-M699 HydrophobicContact CG2-SD 3.76Å; Y695-M699 HydrophobicContact CD1-CG 4.13Å; Y695-M699 HydrophobicContact CE1-CG 3.68Å; Y695-M699 HydrophobicContact CE2-CG 4.24Å; Y695-M699 WeakPolarHBondContact O-CB 3.36Å; Y695-M699 WeakPolarHBondContact O-CG 3.31Å; Y695-M699 PolarHBondContact O-N 2.66Å; T696-M699 PolarHBondContact O-N 3.25Å; M699-N702 PolarHBondContact O-N 2.92Å; M699-S703 PolarHBondContact O-N 3.32Å; M699-S703 VanDerWaalsContact O-N 3.1Å |
| 700 | R | 94.1 | Very high | 93.8 | Very high | 95 Ų | 95 | 49.1 Ų | 49.1 | 36% | 0.358 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 177.5 | -170.6 | 178.9 | 177.5 | -179.1 | -3.5 | 111.7 | T251 F256 T696 L697 F698 S703 | T251-R700 PolarHBondContact O-NH2 2.61Å; F256-R700 HydrophobicContact CE2-CB 4.22Å; F256-R700 HydrophobicContact CE2-CG 4.03Å; F256-R700 HydrophobicContact CZ-CB 4.19Å; F256-R700 HydrophobicContact CZ-CG 4.43Å; T696-R700 WeakPolarHBondContact O-CB 3.37Å; T696-R700 PolarHBondContact O-N 3.35Å; L697-R700 PolarHBondContact O-N 3.14Å; F698-R700 VanDerWaalsContact C-N 3.32Å; F698-R700 PolarHBondContact O-N 2.68Å; R700-S703 PolarHBondContact O-N 3.4Å; R700-S703 PolarHBondContact O-OG 3.17Å |
| 701 | F | 93.7 | Very high | 94 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.7 | -43.9 | 176.3 | -172.4 | -95.6 | 0 | 0 | 0 | 112 | F256 V328 I331 V639 I641 L697 F698 S703 I704 | F256-F701 HydrophobicContact CB-CD2 3.93Å; F256-F701 HydrophobicContact CB-CE2 4.07Å; F256-F701 HydrophobicContact CD1-CB 4.41Å; F256-F701 AromaticContact CD1-CD2 3.66Å; F256-F701 HydrophobicContact CD1-CD2 3.66Å; F256-F701 HydrophobicContact CD1-CE2 4.39Å; F256-F701 HydrophobicContact CD1-CG 4.46Å; F256-F701 HydrophobicContact CD2-CB 4.32Å; F256-F701 AromaticContact CD2-CD2 3.71Å; F256-F701 HydrophobicContact CD2-CD2 3.71Å; F256-F701 HydrophobicContact CE1-CB 3.94Å; F256-F701 HydrophobicContact CE1-CD2 4.07Å; F256-F701 HydrophobicContact CE1-CG 4.45Å; F256-F701 HydrophobicContact CE2-CB 3.86Å; F256-F701 HydrophobicContact CE2-CD2 4.12Å; F256-F701 AromaticContact CG-CD2 3.49Å; F256-F701 HydrophobicContact CG-CD2 3.49Å; F256-F701 VanDerWaalsContact CG-CD2 3.49Å; F256-F701 HydrophobicContact CG-CE2 4.14Å; F256-F701 HydrophobicContact CZ-CB 3.67Å; F256-F701 HydrophobicContact CZ-CD2 4.3Å; V328-F701 HydrophobicContact CB-CZ 4.34Å; V328-F701 HydrophobicContact CG1-CE2 4.15Å; V328-F701 HydrophobicContact CG1-CZ 4.12Å; V328-F701 HydrophobicContact CG2-CD1 4.43Å; V328-F701 HydrophobicContact CG2-CE1 4.01Å; V328-F701 HydrophobicContact CG2-CZ 4.3Å; I331-F701 HydrophobicContact CB-CZ 3.8Å; I331-F701 HydrophobicContact CD1-CE1 3.83Å; I331-F701 HydrophobicContact CD1-CZ 3.72Å; I331-F701 HydrophobicContact CG1-CZ 4.4Å; I331-F701 HydrophobicContact CG2-CE2 4.07Å; I331-F701 HydrophobicContact CG2-CZ 3.59Å; V639-F701 HydrophobicContact CG1-CD1 3.69Å; V639-F701 HydrophobicContact CG1-CE1 3.37Å; V639-F701 HydrophobicContact CG1-CZ 4.28Å; I641-F701 HydrophobicContact CD1-CB 3.88Å; I641-F701 HydrophobicContact CD1-CD1 3.38Å; I641-F701 HydrophobicContact CD1-CE1 4.29Å; I641-F701 HydrophobicContact CD1-CG 4.05Å; I641-F701 HydrophobicContact CG1-CD1 3.99Å; I641-F701 HydrophobicContact CG2-CD1 4.49Å; I641-F701 HydrophobicContact CG2-CE1 4.42Å; L697-F701 WeakPolarHBondContact O-CB 3.36Å; L697-F701 PolarHBondContact O-N 3.04Å; F698-F701 PolarHBondContact O-N 2.91Å; F701-S703 PolarHBondContact O-N 3.14Å; F701-I704 HydrophobicContact CD2-CD1 3.9Å; F701-I704 HydrophobicContact CE2-CD1 4.36Å; F701-I704 HydrophobicContact CG-CD1 4.39Å; F701-I704 WeakPolarHBondContact O-CB 3.13Å; F701-I704 VanDerWaalsContact O-CG1 3.31Å; F701-I704 WeakPolarHBondContact O-CG1 3.34Å; F701-I704 PolarHBondContact O-N 2.85Å; F701-I704 VanDerWaalsContact O-N 3.14Å |
| 702 | N | 93.4 | Very high | 94.4 | Very high | 33 Ų | 33 | 46.3 Ų | 46.3 | 18% | 0.176 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.4 | -16.2 | 178.3 | -161.4 | 80.6 | 0 | 0 | 0 | 113.5 | I641 I645 F698 M699 P705 | I641-N702 HydrophobicContact CD1-CB 4.09Å; I641-N702 HydrophobicContact CG1-CB 3.7Å; I641-N702 WeakPolarHBondContact CG1-OD1 3.46Å; I641-N702 PolarHBondContact N-OD1 3.48Å; I645-N702 HydrophobicContact CD1-CB 3.59Å; F698-N702 VanDerWaalsContact O-CB 3.25Å; F698-N702 WeakPolarHBondContact O-CB 3.29Å; F698-N702 PolarHBondContact O-N 3.34Å; M699-N702 PolarHBondContact O-N 2.92Å; N702-P705 WeakPolarHBondContact O-CD 3.41Å |
| 703 | S | 94.5 | Very high | 94.6 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 23% | 0.231 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -8.5 | 175.4 | 72.3 | 0 | 0 | 0 | 0 | 114.2 | M699 R700 F701 P705 D706 Q707 | M699-S703 PolarHBondContact O-N 3.32Å; M699-S703 VanDerWaalsContact O-N 3.1Å; R700-S703 PolarHBondContact O-N 3.4Å; R700-S703 PolarHBondContact O-OG 3.17Å; F701-S703 PolarHBondContact O-N 3.14Å; S703-P705 VanDerWaalsContact C-CD 3.46Å; S703-D706 PolarHBondContact O-N 3.36Å; S703-Q707 WeakPolarHBondContact O-CG 3.48Å; S703-Q707 PolarHBondContact O-N 3.25Å |
| 704 | I | 95.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.5 | -45.2 | 177.8 | -67.1 | 172.6 | 0 | 0 | 0 | 112.4 | F249 F256 L636 F701 D706 Q707 M708 | F249-I704 HydrophobicContact CD2-CG2 4.29Å; F249-I704 HydrophobicContact CE2-CG2 3.86Å; F256-I704 HydrophobicContact CD2-CD1 4.06Å; L636-I704 HydrophobicContact CB-CG2 4.26Å; L636-I704 HydrophobicContact CD1-CG2 3.96Å; L636-I704 HydrophobicContact CD2-CG2 4.27Å; L636-I704 HydrophobicContact CG-CG2 4.4Å; F701-I704 HydrophobicContact CD2-CD1 3.9Å; F701-I704 HydrophobicContact CE2-CD1 4.36Å; F701-I704 HydrophobicContact CG-CD1 4.39Å; F701-I704 WeakPolarHBondContact O-CB 3.13Å; F701-I704 VanDerWaalsContact O-CG1 3.31Å; F701-I704 WeakPolarHBondContact O-CG1 3.34Å; F701-I704 PolarHBondContact O-N 2.85Å; F701-I704 VanDerWaalsContact O-N 3.14Å; I704-D706 VanDerWaalsContact C-N 3.33Å; I704-D706 PolarHBondContact O-N 3.25Å; I704-Q707 PolarHBondContact O-N 2.93Å; I704-M708 WeakPolarHBondContact O-CB 3.26Å; I704-M708 PolarHBondContact O-N 3.18Å |
| 705 | P | 94.8 | Very high | 94.9 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.3 | -44.3 | 176.6 | -18.9 | 27.8 | 0 | 0 | 0 | 112.5 | L636 V639 N702 S703 M708 N709 | L636-P705 WeakPolarHBondContact O-CG 3.46Å; V639-P705 HydrophobicContact CB-CG 4.07Å; N702-P705 WeakPolarHBondContact O-CD 3.41Å; S703-P705 VanDerWaalsContact C-CD 3.46Å; P705-M708 PolarHBondContact O-N 3.38Å; P705-N709 WeakPolarHBondContact O-CB 3.37Å; P705-N709 PolarHBondContact O-N 3.04Å; P705-N709 PolarHBondContact O-ND2 3.16Å |
| 706 | D | 94.7 | Very high | 95 | Very high | 110 Ų | 110 | 44.8 Ų | 44.8 | 59% | 0.588 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -67.2 | -41.8 | -179.7 | -69.8 | -29.8 | 0 | 0 | 0 | 111.6 | S703 I704 N709 H710 | S703-D706 PolarHBondContact O-N 3.36Å; I704-D706 VanDerWaalsContact C-N 3.33Å; I704-D706 PolarHBondContact O-N 3.25Å; D706-N709 PolarHBondContact O-N 3.42Å; D706-H710 VanDerWaalsContact O-CB 3.24Å; D706-H710 WeakPolarHBondContact O-CB 3.43Å; D706-H710 PolarHBondContact O-N 3.42Å |
| 707 | Q | 95.3 | Very high | 95 | Very high | 55 Ų | 55 | 45.8 Ų | 45.8 | 26% | 0.257 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.2 | -41.7 | 175.2 | -71.8 | -179.1 | -8.4 | 0 | 0 | 111.9 | G248 F249 S252 S703 I704 H710 A711 | G248-Q707 PolarHBondContact O-OE1 3.42Å; F249-Q707 HydrophobicContact CB-CB 4.27Å; S252-Q707 PolarHBondContact OG-NE2 3.28Å; S252-Q707 PolarHBondContact OG-OE1 3.44Å; S703-Q707 WeakPolarHBondContact O-CG 3.48Å; S703-Q707 PolarHBondContact O-N 3.25Å; I704-Q707 PolarHBondContact O-N 2.93Å; Q707-H710 PolarHBondContact O-N 3.19Å; Q707-A711 PolarHBondContact O-N 3.46Å |
| 708 | M | 95 | Very high | 95 | Very high | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.039 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.1 | -50 | 175.4 | -171.2 | -179.4 | 69.2 | 0 | 0 | 111.1 | F249 F630 L633 L636 I704 P705 H710 A711 V712 | F249-M708 HydrophobicContact CD2-CB 3.76Å; F249-M708 HydrophobicContact CD2-CG 4.31Å; F249-M708 HydrophobicContact CE2-CB 3.74Å; F249-M708 HydrophobicContact CE2-CG 3.97Å; F249-M708 HydrophobicContact CE2-SD 4.36Å; F249-M708 HydrophobicContact CZ-CG 4.45Å; F630-M708 HydrophobicContact CD1-CG 3.5Å; F630-M708 HydrophobicContact CD1-SD 4.23Å; F630-M708 HydrophobicContact CE1-CG 3.79Å; F630-M708 HydrophobicContact CG-CG 4.49Å; L633-M708 HydrophobicContact CB-SD 4.23Å; L636-M708 HydrophobicContact CB-CE 4.49Å; L636-M708 HydrophobicContact CB-SD 4.17Å; I704-M708 WeakPolarHBondContact O-CB 3.26Å; I704-M708 PolarHBondContact O-N 3.18Å; P705-M708 PolarHBondContact O-N 3.38Å; M708-H710 VanDerWaalsContact C-N 3.29Å; M708-H710 PolarHBondContact O-N 2.85Å; M708-A711 PolarHBondContact O-N 3.37Å; M708-V712 WeakPolarHBondContact O-CG2 3.49Å; M708-V712 PolarHBondContact O-N 3.21Å |
| 709 | N | 95.1 | Very high | 95 | Very high | 77 Ų | 77 | 47.5 Ų | 47.5 | 41% | 0.412 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.9 | -40.7 | 176.6 | -75.9 | -28.9 | 0 | 0 | 0 | 111.5 | P705 D706 A711 V712 I713 | P705-N709 WeakPolarHBondContact O-CB 3.37Å; P705-N709 PolarHBondContact O-N 3.04Å; P705-N709 PolarHBondContact O-ND2 3.16Å; D706-N709 PolarHBondContact O-N 3.42Å; N709-A711 PolarHBondContact O-N 3.2Å; N709-V712 PolarHBondContact O-N 3.1Å; N709-I713 WeakPolarHBondContact O-CB 3.36Å; N709-I713 VanDerWaalsContact O-CG1 3.25Å; N709-I713 WeakPolarHBondContact O-CG1 3.37Å; N709-I713 PolarHBondContact O-N 3.4Å |
| 710 | H | 96 | Very high | 95 | Very high | 104 Ų | 104 | 51 Ų | 51 | 48% | 0.481 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 176 | -169.5 | 68.1 | 0 | 0 | 0 | 111.8 | D706 Q707 M708 I713 N714 | D706-H710 VanDerWaalsContact O-CB 3.24Å; D706-H710 WeakPolarHBondContact O-CB 3.43Å; D706-H710 PolarHBondContact O-N 3.42Å; Q707-H710 PolarHBondContact O-N 3.19Å; M708-H710 VanDerWaalsContact C-N 3.29Å; M708-H710 PolarHBondContact O-N 2.85Å; H710-I713 PolarHBondContact O-N 2.85Å; H710-N714 PolarHBondContact CD2-ND2 3.4Å; H710-N714 VanDerWaalsContact CD2-ND2 3.26Å; H710-N714 PolarHBondContact CE1-ND2 3.11Å; H710-N714 PolarHBondContact NE2-ND2 3.15Å; H710-N714 WeakPolarHBondContact O-CB 3.25Å; H710-N714 PolarHBondContact O-N 2.87Å; H710-N714 PolarHBondContact O-ND2 3.34Å |
| 711 | A | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A245 I246 F630 Q707 M708 N709 N714 L715 | A245-A711 HydrophobicContact CB-CB 4.12Å; I246-A711 HydrophobicContact CG1-CB 4.36Å; F630-A711 HydrophobicContact CE1-CB 4.3Å; F630-A711 HydrophobicContact CE2-CB 4Å; F630-A711 HydrophobicContact CZ-CB 3.54Å; Q707-A711 PolarHBondContact O-N 3.46Å; M708-A711 PolarHBondContact O-N 3.37Å; N709-A711 PolarHBondContact O-N 3.2Å; A711-N714 PolarHBondContact O-N 2.95Å; A711-L715 WeakPolarHBondContact O-CB 3.38Å; A711-L715 WeakPolarHBondContact O-CG 3.36Å; A711-L715 PolarHBondContact O-N 3.41Å |
| 712 | V | 96.6 | Very high | 94.9 | Very high | 33 Ų | 33 | 49.1 Ų | 49.1 | 20% | 0.2 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 176.8 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | L627 F630 M708 N709 L715 N716 | L627-V712 HydrophobicContact CD2-CG1 4.02Å; F630-V712 HydrophobicContact CB-CG2 3.77Å; F630-V712 HydrophobicContact CD1-CG2 4.28Å; F630-V712 HydrophobicContact CD2-CG2 3.77Å; F630-V712 HydrophobicContact CE2-CG2 4.41Å; F630-V712 HydrophobicContact CG-CG2 3.69Å; M708-V712 WeakPolarHBondContact O-CG2 3.49Å; M708-V712 PolarHBondContact O-N 3.21Å; N709-V712 PolarHBondContact O-N 3.1Å; V712-L715 PolarHBondContact O-N 3.25Å; V712-N716 WeakPolarHBondContact O-CB 3.35Å; V712-N716 PolarHBondContact O-N 3.35Å; V712-N716 PolarHBondContact O-ND2 2.97Å; V712-N716 VanDerWaalsContact O-ND2 3.12Å |
| 713 | I | 96.7 | Very high | 94.8 | Very high | 106 Ų | 106 | 49.9 Ų | 49.9 | 54% | 0.544 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.3 | -46.2 | 176.1 | -71.2 | 165.6 | 0 | 0 | 0 | 110.3 | N709 H710 N716 K717 | N709-I713 WeakPolarHBondContact O-CB 3.36Å; N709-I713 VanDerWaalsContact O-CG1 3.25Å; N709-I713 WeakPolarHBondContact O-CG1 3.37Å; N709-I713 PolarHBondContact O-N 3.4Å; H710-I713 PolarHBondContact O-N 2.85Å; I713-N716 PolarHBondContact O-N 3.33Å; I713-K717 WeakPolarHBondContact O-CB 3.31Å; I713-K717 PolarHBondContact O-N 3.3Å |
| 714 | N | 95.9 | Very high | 94.7 | Very high | 19 Ų | 19 | 52.9 Ų | 52.9 | 10% | 0.102 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 178.5 | -77.6 | -52.3 | 0 | 0 | 0 | 112 | V242 A245 H710 A711 K717 Y718 | V242-N714 HydrophobicContact CG2-CB 4.16Å; A245-N714 HydrophobicContact CB-CB 4.48Å; H710-N714 PolarHBondContact CD2-ND2 3.4Å; H710-N714 VanDerWaalsContact CD2-ND2 3.26Å; H710-N714 PolarHBondContact CE1-ND2 3.11Å; H710-N714 PolarHBondContact NE2-ND2 3.15Å; H710-N714 WeakPolarHBondContact O-CB 3.25Å; H710-N714 PolarHBondContact O-N 2.87Å; H710-N714 PolarHBondContact O-ND2 3.34Å; A711-N714 PolarHBondContact O-N 2.95Å; N714-K717 PolarHBondContact O-N 2.62Å; N714-Y718 VanDerWaalsContact O-CB 3.22Å; N714-Y718 WeakPolarHBondContact O-CB 3.38Å; N714-Y718 PolarHBondContact O-N 2.98Å |
| 715 | L | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 174.2 | -83.2 | 168.6 | 0 | 0 | 0 | 112.3 | V242 I246 F348 I623 C626 L627 F630 A711 V712 Y718 N719 | V242-L715 HydrophobicContact CG1-CD2 3.61Å; V242-L715 HydrophobicContact CG1-CG 3.88Å; I246-L715 HydrophobicContact CD1-CD2 4.45Å; F348-L715 HydrophobicContact CD2-CD2 4.17Å; F348-L715 HydrophobicContact CE2-CD2 4.31Å; I623-L715 HydrophobicContact CG1-CD2 4.24Å; I623-L715 HydrophobicContact CG2-CD2 4.37Å; C626-L715 HydrophobicContact CB-CD1 3.81Å; C626-L715 HydrophobicContact CB-CD2 4.36Å; L627-L715 HydrophobicContact CD2-CB 4.12Å; L627-L715 HydrophobicContact CD2-CD1 4.23Å; F630-L715 HydrophobicContact CD2-CD1 3.85Å; F630-L715 HydrophobicContact CE2-CD1 3.57Å; A711-L715 WeakPolarHBondContact O-CB 3.38Å; A711-L715 WeakPolarHBondContact O-CG 3.36Å; A711-L715 PolarHBondContact O-N 3.41Å; V712-L715 PolarHBondContact O-N 3.25Å; L715-Y718 PolarHBondContact O-N 3.45Å; L715-N719 WeakPolarHBondContact O-CB 3.39Å; L715-N719 PolarHBondContact O-N 3.5Å |
| 716 | N | 95.7 | Very high | 94.4 | Very high | 64 Ų | 64 | 53.2 Ų | 53.2 | 34% | 0.342 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 178.3 | -78.6 | -44.1 | 0 | 0 | 0 | 111.9 | V712 I713 N719 Q720 | V712-N716 WeakPolarHBondContact O-CB 3.35Å; V712-N716 PolarHBondContact O-N 3.35Å; V712-N716 PolarHBondContact O-ND2 2.97Å; V712-N716 VanDerWaalsContact O-ND2 3.12Å; I713-N716 PolarHBondContact O-N 3.33Å; N716-N719 WeakPolarHBondContact O-CB 3.39Å; N716-N719 PolarHBondContact O-N 2.78Å; N716-Q720 WeakPolarHBondContact O-CG 3.48Å; N716-Q720 PolarHBondContact O-N 3Å; N716-Q720 VanDerWaalsContact O-N 3.11Å |
| 717 | K | 94.5 | Very high | 94.1 | Very high | 105 Ų | 105 | 53.9 Ų | 53.9 | 46% | 0.457 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 175.3 | -175.8 | -179.1 | 179.1 | -174.6 | 0 | 111.2 | I713 N714 N719 Q720 T721 | I713-K717 WeakPolarHBondContact O-CB 3.31Å; I713-K717 PolarHBondContact O-N 3.3Å; N714-K717 PolarHBondContact O-N 2.62Å; K717-N719 VanDerWaalsContact C-N 3.33Å; K717-N719 PolarHBondContact O-N 3.16Å; K717-Q720 PolarHBondContact O-N 3.04Å; K717-T721 PolarHBondContact O-N 3.47Å; K717-T721 PolarHBondContact O-OG1 2.69Å |
| 718 | Y | 94.6 | Very high | 93.9 | Very high | 5 Ų | 5 | 53.5 Ų | 53.5 | 2% | 0.02 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59 | -44.2 | 176.4 | -175.1 | -89 | 0 | 0 | 0 | 111.6 | F233 S237 A239 V242 F348 F619 I623 N714 L715 Q720 T721 L722 | F233-Y718 WeakPolarHBondContact CE1-OH 3.44Å; F233-Y718 WeakPolarHBondContact CZ-OH 3.36Å; S237-Y718 VanDerWaalsContact CB-CE2 3.46Å; S237-Y718 WeakPolarHBondContact O-CD2 3.19Å; S237-Y718 VanDerWaalsContact O-CE2 3.27Å; S237-Y718 WeakPolarHBondContact O-CE2 3.37Å; S237-Y718 WeakPolarHBondContact OG-CE2 3.27Å; S237-Y718 PolarHBondContact OG-OH 3.46Å; A239-Y718 HydrophobicContact CB-CE2 3.75Å; V242-Y718 HydrophobicContact CG2-CD2 3.8Å; V242-Y718 HydrophobicContact CG2-CG 3.89Å; F348-Y718 HydrophobicContact CE2-CD1 4.11Å; F348-Y718 AromaticContact CE2-CE1 3.93Å; F348-Y718 HydrophobicContact CE2-CE1 3.93Å; F348-Y718 HydrophobicContact CZ-CD1 4.32Å; F348-Y718 HydrophobicContact CZ-CD2 4.39Å; F348-Y718 HydrophobicContact CZ-CE1 4.12Å; F348-Y718 HydrophobicContact CZ-CE2 4.18Å; F348-Y718 HydrophobicContact CZ-CG 4.46Å; F619-Y718 HydrophobicContact CD1-CE1 4.03Å; I623-Y718 HydrophobicContact CD1-CD1 3.66Å; I623-Y718 HydrophobicContact CD1-CE1 4.01Å; I623-Y718 HydrophobicContact CG1-CD1 4.36Å; N714-Y718 VanDerWaalsContact O-CB 3.22Å; N714-Y718 WeakPolarHBondContact O-CB 3.38Å; N714-Y718 PolarHBondContact O-N 2.98Å; L715-Y718 PolarHBondContact O-N 3.45Å; Y718-Q720 VanDerWaalsContact C-N 3.3Å; Y718-Q720 PolarHBondContact O-N 3.28Å; Y718-T721 PolarHBondContact O-N 3.34Å; Y718-T721 PolarHBondContact O-OG1 3.25Å; Y718-L722 HydrophobicContact CE1-CD1 3.91Å; Y718-L722 WeakPolarHBondContact O-CB 3.25Å; Y718-L722 PolarHBondContact O-N 2.81Å |
| 719 | N | 93.8 | Very high | 93.7 | Very high | 51 Ų | 51 | 53.1 Ų | 53.1 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60 | -38.1 | 177.1 | -166.7 | 35.5 | 0 | 0 | 0 | 112.8 | I623 L715 N716 K717 | I623-N719 HydrophobicContact CD1-CB 4.17Å; I623-N719 HydrophobicContact CG2-CB 4.14Å; L715-N719 WeakPolarHBondContact O-CB 3.39Å; L715-N719 PolarHBondContact O-N 3.5Å; N716-N719 WeakPolarHBondContact O-CB 3.39Å; N716-N719 PolarHBondContact O-N 2.78Å; K717-N719 VanDerWaalsContact C-N 3.33Å; K717-N719 PolarHBondContact O-N 3.16Å |
| 720 | Q | 92.8 | Very high | 93.3 | Very high | 160 Ų | 160 | 50.3 Ų | 50.3 | 75% | 0.748 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -68.2 | -37.7 | 177.6 | -71.3 | 173.9 | -7 | 0 | 0 | 112.3 | N716 K717 Y718 | N716-Q720 WeakPolarHBondContact O-CG 3.48Å; N716-Q720 PolarHBondContact O-N 3Å; N716-Q720 VanDerWaalsContact O-N 3.11Å; K717-Q720 PolarHBondContact O-N 3.04Å; Y718-Q720 VanDerWaalsContact C-N 3.3Å; Y718-Q720 PolarHBondContact O-N 3.28Å |
| 721 | T | 93 | Very high | 92.9 | Very high | 54 Ų | 54 | 48.6 Ų | 48.6 | 33% | 0.331 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -89.6 | -12.8 | -177.7 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | K717 Y718 S723 T724 S725 | K717-T721 PolarHBondContact O-N 3.47Å; K717-T721 PolarHBondContact O-OG1 2.69Å; Y718-T721 PolarHBondContact O-N 3.34Å; Y718-T721 PolarHBondContact O-OG1 3.25Å; T721-S723 PolarHBondContact O-N 3.19Å; T721-T724 PolarHBondContact O-N 3.5Å; T721-S725 PolarHBondContact O-N 3.06Å; T721-S725 PolarHBondContact O-OG 3.01Å |
| 722 | L | 93.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -50.8 | -50.5 | -171.4 | 177 | 60.3 | 0 | 0 | 0 | 112.7 | F233 F619 R620 I623 Y718 T724 S725 V726 | F233-L722 HydrophobicContact CZ-CD1 4.07Å; F619-L722 HydrophobicContact CB-CD1 4.06Å; F619-L722 HydrophobicContact CB-CD2 3.71Å; F619-L722 HydrophobicContact CG-CD1 4.29Å; R620-L722 HydrophobicContact CG-CD2 3.85Å; I623-L722 HydrophobicContact CD1-CD2 4.21Å; Y718-L722 HydrophobicContact CE1-CD1 3.91Å; Y718-L722 WeakPolarHBondContact O-CB 3.25Å; Y718-L722 PolarHBondContact O-N 2.81Å; L722-T724 PolarHBondContact O-N 2.9Å; L722-S725 PolarHBondContact O-N 3.17Å; L722-V726 HydrophobicContact CD1-CG2 4.01Å; L722-V726 HydrophobicContact CG-CG2 4.43Å; L722-V726 WeakPolarHBondContact O-CG2 3.24Å; L722-V726 PolarHBondContact O-N 3.12Å |
| 723 | S | 92.2 | Very high | 92.2 | Very high | 49 Ų | 49 | 52.3 Ų | 52.3 | 34% | 0.343 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | -176.7 | -171.4 | 0 | 0 | 0 | 0 | 112.3 | E616 T721 V726 Q727 | E616-S723 VanDerWaalsContact OE1-CA 3.29Å; E616-S723 WeakPolarHBondContact OE1-CA 3.49Å; E616-S723 WeakPolarHBondContact OE1-CB 3.31Å; E616-S723 PolarHBondContact OE1-OG 3.03Å; T721-S723 PolarHBondContact O-N 3.19Å; S723-V726 PolarHBondContact O-N 2.98Å; S723-Q727 PolarHBondContact O-N 3.41Å |
| 724 | T | 92.3 | Very high | 91.8 | Very high | 96 Ų | 96 | 47.9 Ų | 47.9 | 59% | 0.589 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -65.5 | -40.8 | 176.1 | -48.9 | 0 | 0 | 0 | 0 | 111.8 | T721 L722 Q727 S728 | T721-T724 PolarHBondContact O-N 3.5Å; L722-T724 PolarHBondContact O-N 2.9Å; T724-Q727 PolarHBondContact O-N 2.89Å; T724-S728 WeakPolarHBondContact O-CB 3.46Å; T724-S728 PolarHBondContact O-N 3.36Å; T724-S728 PolarHBondContact O-OG 3.43Å; T724-S728 VanDerWaalsContact O-OG 3.06Å |
| 725 | S | 91.8 | Very high | 91.4 | Very high | 10 Ų | 10 | 52.3 Ų | 52.3 | 7% | 0.07 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 177.1 | -63 | 0 | 0 | 0 | 0 | 112.3 | L236 S237 T721 L722 S728 S729 | L236-S725 PolarHBondContact O-OG 2.92Å; S237-S725 WeakPolarHBondContact CA-OG 3.32Å; T721-S725 PolarHBondContact O-N 3.06Å; T721-S725 PolarHBondContact O-OG 3.01Å; L722-S725 PolarHBondContact O-N 3.17Å; S725-S728 PolarHBondContact O-OG 2.67Å; S725-S728 VanDerWaalsContact O-OG 3.05Å; S725-S729 VanDerWaalsContact O-CB 3.25Å; S725-S729 WeakPolarHBondContact O-CB 3.48Å; S725-S729 PolarHBondContact O-N 2.89Å; S725-S729 PolarHBondContact O-OG 3.4Å |
| 726 | V | 90.7 | Very high | 91.1 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.4 | -52.8 | 173.1 | 168.3 | 0 | 0 | 0 | 0 | 110.2 | F233 L615 E616 L722 S723 S728 S729 M730 | F233-V726 HydrophobicContact CE2-CG2 3.73Å; F233-V726 HydrophobicContact CZ-CG2 4.37Å; L615-V726 HydrophobicContact CB-CG1 4Å; L615-V726 HydrophobicContact CB-CG2 4.16Å; L615-V726 HydrophobicContact CD1-CG1 4.4Å; E616-V726 HydrophobicContact CG-CB 4.44Å; E616-V726 HydrophobicContact CG-CG1 4.49Å; E616-V726 HydrophobicContact CG-CG2 4.08Å; L722-V726 HydrophobicContact CD1-CG2 4.01Å; L722-V726 HydrophobicContact CG-CG2 4.43Å; L722-V726 WeakPolarHBondContact O-CG2 3.24Å; L722-V726 PolarHBondContact O-N 3.12Å; S723-V726 PolarHBondContact O-N 2.98Å; V726-S728 PolarHBondContact O-N 3.1Å; V726-S729 PolarHBondContact O-N 3.21Å; V726-M730 WeakPolarHBondContact O-CB 3.27Å; V726-M730 PolarHBondContact O-N 2.83Å |
| 727 | Q | 89.5 | Confident | 90.7 | Very high | 124 Ų | 124 | 54.6 Ų | 54.6 | 58% | 0.579 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.6 | -43.4 | -177.6 | -168.8 | -178.3 | 11.1 | 0 | 0 | 112.5 | S723 T724 M730 N731 | S723-Q727 PolarHBondContact O-N 3.41Å; T724-Q727 PolarHBondContact O-N 2.89Å; Q727-M730 PolarHBondContact O-N 3.36Å; Q727-N731 PolarHBondContact O-N 2.87Å; Q727-N731 VanDerWaalsContact O-N 3.08Å; Q727-N731 PolarHBondContact O-ND2 2.9Å |
| 728 | S | 90.5 | Very high | 90.3 | Very high | 47 Ų | 47 | 54 Ų | 54 | 33% | 0.329 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.1 | -43.6 | -180 | 65.6 | 0 | 0 | 0 | 0 | 112.6 | T724 S725 V726 M730 R732 | T724-S728 WeakPolarHBondContact O-CB 3.46Å; T724-S728 PolarHBondContact O-N 3.36Å; T724-S728 PolarHBondContact O-OG 3.43Å; T724-S728 VanDerWaalsContact O-OG 3.06Å; S725-S728 PolarHBondContact O-OG 2.67Å; S725-S728 VanDerWaalsContact O-OG 3.05Å; V726-S728 PolarHBondContact O-N 3.1Å; S728-M730 VanDerWaalsContact C-N 3.34Å; S728-R732 WeakPolarHBondContact O-CB 3.15Å; S728-R732 PolarHBondContact O-N 3.41Å; S728-R732 VanDerWaalsContact O-N 3.07Å |
| 729 | S | 89.6 | Confident | 89.9 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 176.8 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | F233 L236 S725 V726 R732 G733 | F233-S729 WeakPolarHBondContact CA-OG 3.19Å; L236-S729 WeakPolarHBondContact CD1-OG 3.1Å; S725-S729 VanDerWaalsContact O-CB 3.25Å; S725-S729 WeakPolarHBondContact O-CB 3.48Å; S725-S729 PolarHBondContact O-N 2.89Å; S725-S729 PolarHBondContact O-OG 3.4Å; V726-S729 PolarHBondContact O-N 3.21Å; S729-R732 PolarHBondContact O-N 3.24Å; S729-G733 PolarHBondContact O-N 3.42Å |
| 730 | M | 87.4 | Confident | 89.5 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 9% | 0.089 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.7 | -47 | -179.7 | -179 | 170 | -102 | 0 | 0 | 112 | F610 K611 V726 Q727 S728 R732 G733 V734 | F610-M730 HydrophobicContact CD1-CE 4Å; F610-M730 HydrophobicContact CD1-CG 3.74Å; F610-M730 HydrophobicContact CE1-CB 4.26Å; F610-M730 HydrophobicContact CE1-CE 4.2Å; F610-M730 HydrophobicContact CE1-CG 3.63Å; F610-M730 WeakPolarHBondContact O-CE 3.34Å; K611-M730 HydrophobicContact CB-SD 4.27Å; K611-M730 HydrophobicContact CG-CG 4.38Å; K611-M730 HydrophobicContact CG-SD 4.05Å; V726-M730 WeakPolarHBondContact O-CB 3.27Å; V726-M730 PolarHBondContact O-N 2.83Å; Q727-M730 PolarHBondContact O-N 3.36Å; S728-M730 VanDerWaalsContact C-N 3.34Å; M730-R732 VanDerWaalsContact C-N 3.31Å; M730-R732 PolarHBondContact O-N 3.47Å; M730-G733 PolarHBondContact O-N 3.26Å; M730-V734 WeakPolarHBondContact O-CG2 3.31Å; M730-V734 PolarHBondContact O-N 2.97Å |
| 731 | N | 88.9 | Confident | 89.1 | Confident | 69 Ų | 69 | 52.1 Ų | 52.1 | 37% | 0.369 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 175.3 | -74.7 | -31 | 0 | 0 | 0 | 112 | Q727 N735 | Q727-N731 PolarHBondContact O-N 2.87Å; Q727-N731 VanDerWaalsContact O-N 3.08Å; Q727-N731 PolarHBondContact O-ND2 2.9Å; N731-N735 WeakPolarHBondContact O-CB 3.26Å; N731-N735 PolarHBondContact O-N 3.26Å; N731-N735 PolarHBondContact O-ND2 3.36Å |
| 732 | R | 89.6 | Confident | 88.5 | Confident | 107 Ų | 107 | 51.3 Ų | 51.3 | 40% | 0.404 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 176.5 | -176.3 | 177 | -69.3 | -177.8 | 1.2 | 111.9 | D232 S728 S729 M730 N735 K736 | D232-R732 IonicContact OD1-NH1 3.24Å; D232-R732 WeakPolarHBondContact OD2-CD 3.46Å; S728-R732 WeakPolarHBondContact O-CB 3.15Å; S728-R732 PolarHBondContact O-N 3.41Å; S728-R732 VanDerWaalsContact O-N 3.07Å; S729-R732 PolarHBondContact O-N 3.24Å; M730-R732 VanDerWaalsContact C-N 3.31Å; M730-R732 PolarHBondContact O-N 3.47Å; R732-N735 PolarHBondContact O-N 2.65Å; R732-K736 HydrophobicContact CG-CD 4.43Å; R732-K736 PolarHBondContact O-N 3.01Å |
| 733 | G | 88.1 | Confident | 88 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.1 | -49.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S729 M730 N735 K736 L737 | S729-G733 PolarHBondContact O-N 3.42Å; M730-G733 PolarHBondContact O-N 3.26Å; G733-N735 PolarHBondContact O-N 2.96Å; G733-K736 PolarHBondContact O-N 2.96Å; G733-L737 WeakPolarHBondContact O-CB 3.36Å; G733-L737 PolarHBondContact O-N 3.3Å |
| 734 | V | 87.4 | Confident | 87.3 | Confident | 13 Ų | 13 | 55.4 Ų | 55.4 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57 | -48.7 | 175.7 | 165.6 | 0 | 0 | 0 | 0 | 111.6 | I607 F610 M730 K736 L737 R738 | I607-V734 HydrophobicContact CB-CG1 4.45Å; I607-V734 HydrophobicContact CD1-CG1 3.89Å; I607-V734 HydrophobicContact CG1-CG1 3.79Å; I607-V734 HydrophobicContact CG2-CG1 3.86Å; I607-V734 HydrophobicContact CG2-CG2 4.29Å; F610-V734 HydrophobicContact CD1-CG2 3.54Å; F610-V734 HydrophobicContact CE1-CG2 4.03Å; F610-V734 HydrophobicContact CG-CG2 4.4Å; M730-V734 WeakPolarHBondContact O-CG2 3.31Å; M730-V734 PolarHBondContact O-N 2.97Å; V734-K736 VanDerWaalsContact C-N 3.3Å; V734-K736 PolarHBondContact O-N 3.39Å; V734-L737 PolarHBondContact O-N 3.34Å; V734-R738 VanDerWaalsContact O-CB 3.32Å; V734-R738 WeakPolarHBondContact O-CB 3.45Å; V734-R738 PolarHBondContact O-N 2.88Å |
| 735 | N | 88.2 | Confident | 86.5 | Confident | 112 Ų | 112 | 50.9 Ų | 50.9 | 60% | 0.599 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -65.3 | -32.6 | -177.9 | -73.2 | -19.2 | 0 | 0 | 0 | 113 | N731 R732 G733 P739 | N731-N735 WeakPolarHBondContact O-CB 3.26Å; N731-N735 PolarHBondContact O-N 3.26Å; N731-N735 PolarHBondContact O-ND2 3.36Å; R732-N735 PolarHBondContact O-N 2.65Å; G733-N735 PolarHBondContact O-N 2.96Å; N735-P739 VanDerWaalsContact O-CD 3.24Å; N735-P739 WeakPolarHBondContact O-CD 3.37Å |
| 736 | K | 89.3 | Confident | 85.8 | Confident | 94 Ų | 94 | 53.3 Ų | 53.3 | 41% | 0.409 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -72.9 | -43 | 174.6 | -78.1 | 179.4 | 171.1 | 180 | 0 | 112.5 | D232 R732 G733 V734 P739 | D232-K736 IonicContact OD1-NZ 3.17Å; D232-K736 IonicContact OD2-NZ 3.27Å; D232-K736 PolarHBondContact OD2-NZ 2.93Å; R732-K736 HydrophobicContact CG-CD 4.43Å; R732-K736 PolarHBondContact O-N 3.01Å; G733-K736 PolarHBondContact O-N 2.96Å; V734-K736 VanDerWaalsContact C-N 3.3Å; V734-K736 PolarHBondContact O-N 3.39Å; K736-P739 WeakPolarHBondContact O-CD 3.46Å |
| 737 | L | 86.5 | Confident | 85 | Confident | 17 Ų | 17 | 56 Ų | 56 | 9% | 0.089 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.8 | -36.9 | -178 | -85.4 | 169.2 | 0 | 0 | 0 | 112.7 | I221 I222 G733 V734 L740 L741 | I221-L737 HydrophobicContact CG2-CD2 4.3Å; I222-L737 HydrophobicContact CD1-CD2 4.36Å; G733-L737 WeakPolarHBondContact O-CB 3.36Å; G733-L737 PolarHBondContact O-N 3.3Å; V734-L737 PolarHBondContact O-N 3.34Å; L737-L740 PolarHBondContact O-N 3.22Å; L737-L740 VanDerWaalsContact O-N 3.11Å; L737-L741 HydrophobicContact CB-CD1 4.19Å; L737-L741 WeakPolarHBondContact O-CG 3.23Å; L737-L741 PolarHBondContact O-N 2.81Å |
| 738 | R | 87.2 | Confident | 84.2 | Confident | 92 Ų | 92 | 50.2 Ų | 50.2 | 35% | 0.347 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -48.6 | -55.1 | -174.1 | -167.9 | -177 | -174.4 | 157.9 | 3.5 | 114.4 | D600 L603 I607 V734 L740 T742 | D600-R738 IonicContact OD1-CZ 3.51Å; D600-R738 IonicContact OD1-NH2 3.73Å; D600-R738 PolarHBondContact OD1-NH2 3.03Å; L603-R738 HydrophobicContact CD1-CG 4.12Å; L603-R738 HydrophobicContact CD2-CG 3.46Å; L603-R738 VanDerWaalsContact CD2-CG 3.46Å; L603-R738 HydrophobicContact CG-CG 3.99Å; I607-R738 HydrophobicContact CD1-CG 4.39Å; V734-R738 VanDerWaalsContact O-CB 3.32Å; V734-R738 WeakPolarHBondContact O-CB 3.45Å; V734-R738 PolarHBondContact O-N 2.88Å; R738-L740 VanDerWaalsContact C-N 3.35Å; R738-L740 PolarHBondContact O-N 3.08Å; R738-T742 WeakPolarHBondContact O-CB 3.18Å; R738-T742 PolarHBondContact O-N 3.28Å; R738-T742 PolarHBondContact O-OG1 2.85Å |
| 739 | P | 86.6 | Confident | 83.2 | Confident | 77 Ų | 77 | 48.1 Ų | 48.1 | 50% | 0.5 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.5 | -33.6 | -178.8 | 26.4 | -35.4 | 0 | 0 | 0 | 113.1 | N735 K736 K743 | N735-P739 VanDerWaalsContact O-CD 3.24Å; N735-P739 WeakPolarHBondContact O-CD 3.37Å; K736-P739 WeakPolarHBondContact O-CD 3.46Å; P739-K743 PolarHBondContact O-N 3.38Å |
| 740 | L | 85.2 | Confident | 82.3 | Confident | 92 Ų | 92 | 50.6 Ų | 50.6 | 48% | 0.482 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67 | -45.8 | 179.1 | -61.5 | 176.4 | 0 | 0 | 0 | 111 | I221 L737 R738 K743 E744 | I221-L740 HydrophobicContact CG2-CB 3.76Å; I221-L740 HydrophobicContact CG2-CD1 4.36Å; L737-L740 PolarHBondContact O-N 3.22Å; L737-L740 VanDerWaalsContact O-N 3.11Å; R738-L740 VanDerWaalsContact C-N 3.35Å; R738-L740 PolarHBondContact O-N 3.08Å; L740-K743 PolarHBondContact O-N 3.37Å; L740-E744 PolarHBondContact O-N 3.24Å |
| 741 | L | 83.1 | Confident | 81.5 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 176.8 | -63.8 | 173.6 | 0 | 0 | 0 | 111.5 | F218 I221 I222 L603 L737 K743 E744 L745 | F218-L741 HydrophobicContact CD2-CD2 3.89Å; F218-L741 HydrophobicContact CE2-CD2 3.52Å; F218-L741 HydrophobicContact CZ-CD2 4.19Å; I221-L741 HydrophobicContact CG2-CD2 4.04Å; I222-L741 HydrophobicContact CD1-CD1 3.91Å; I222-L741 HydrophobicContact CD1-CD2 3.58Å; I222-L741 HydrophobicContact CD1-CG 4.32Å; I222-L741 HydrophobicContact CG1-CD2 4.03Å; L603-L741 HydrophobicContact CD1-CB 4.04Å; L603-L741 HydrophobicContact CD1-CD1 4.21Å; L737-L741 HydrophobicContact CB-CD1 4.19Å; L737-L741 WeakPolarHBondContact O-CG 3.23Å; L737-L741 PolarHBondContact O-N 2.81Å; L741-K743 VanDerWaalsContact C-N 3.29Å; L741-K743 PolarHBondContact O-N 3.2Å; L741-E744 PolarHBondContact O-N 2.98Å; L741-L745 WeakPolarHBondContact O-CB 3.3Å; L741-L745 VanDerWaalsContact O-CG 3.23Å; L741-L745 WeakPolarHBondContact O-CG 3.48Å; L741-L745 PolarHBondContact O-N 3.25Å |
| 742 | T | 81.8 | Confident | 80.4 | Confident | 38 Ų | 38 | 48.3 Ų | 48.3 | 23% | 0.233 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54.6 | -47.3 | 178 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | I599 L603 R738 Q746 | I599-T742 HydrophobicContact CG2-CG2 4.16Å; L603-T742 WeakPolarHBondContact CD2-OG1 3.47Å; R738-T742 WeakPolarHBondContact O-CB 3.18Å; R738-T742 PolarHBondContact O-N 3.28Å; R738-T742 PolarHBondContact O-OG1 2.85Å; T742-Q746 WeakPolarHBondContact O-CG 3.5Å; T742-Q746 PolarHBondContact O-N 2.96Å; T742-Q746 VanDerWaalsContact O-N 3.08Å |
| 743 | K | 81.3 | Confident | 79.3 | Confident | 128 Ų | 128 | 43.5 Ų | 43.5 | 56% | 0.557 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -63.3 | -44 | 179.2 | -178 | 177.2 | 178.1 | 177.4 | 0 | 112.3 | P739 L740 L741 Q746 L747 | P739-K743 PolarHBondContact O-N 3.38Å; L740-K743 PolarHBondContact O-N 3.37Å; L741-K743 VanDerWaalsContact C-N 3.29Å; L741-K743 PolarHBondContact O-N 3.2Å; K743-Q746 PolarHBondContact O-N 3.5Å; K743-L747 WeakPolarHBondContact O-CG 3.33Å; K743-L747 PolarHBondContact O-N 3.05Å; K743-L747 VanDerWaalsContact O-N 3.13Å |
| 744 | E | 78.3 | Confident | 78.5 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.028 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.9 | -36.4 | -177.1 | -154.1 | 62.3 | -159.5 | 0 | 0 | 112 | R217 F218 I221 L740 L741 L747 A748 | R217-E744 WeakPolarHBondContact CD-OE1 3.34Å; R217-E744 HydrophobicContact CG-CG 4.38Å; R217-E744 VanDerWaalsContact CG-OE1 3.25Å; R217-E744 WeakPolarHBondContact CG-OE1 3.36Å; R217-E744 IonicContact CZ-OE1 3.45Å; R217-E744 IonicContact CZ-OE2 2.77Å; R217-E744 IonicContact NE-OE1 4Å; R217-E744 PolarHBondContact NE-OE1 3.06Å; R217-E744 IonicContact NE-OE2 2.75Å; R217-E744 IonicContact NH1-OE1 3.21Å; R217-E744 PolarHBondContact NH1-OE1 3.36Å; R217-E744 IonicContact NH1-OE2 3.59Å; R217-E744 PolarHBondContact NH1-OE2 3.42Å; R217-E744 VanDerWaalsContact NH1-OE2 3.08Å; F218-E744 HydrophobicContact CB-CG 4.48Å; I221-E744 HydrophobicContact CD1-CB 3.91Å; I221-E744 HydrophobicContact CD1-CG 3.91Å; L740-E744 PolarHBondContact O-N 3.24Å; L741-E744 PolarHBondContact O-N 2.98Å; E744-L747 PolarHBondContact O-N 3.34Å; E744-A748 WeakPolarHBondContact O-CB 3.4Å; E744-A748 PolarHBondContact O-N 3.1Å |
| 745 | L | 76.3 | Confident | 77.8 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 173.6 | -64 | 169.6 | 0 | 0 | 0 | 111.4 | F218 L374 I599 I602 L741 A748 V749 | F218-L745 HydrophobicContact CD2-CD2 4.15Å; F218-L745 HydrophobicContact CE2-CD2 3.87Å; F218-L745 HydrophobicContact CE2-CG 4.35Å; L374-L745 HydrophobicContact CD2-CB 3.92Å; L374-L745 HydrophobicContact CD2-CD2 3.36Å; L374-L745 HydrophobicContact CD2-CG 4.21Å; I599-L745 HydrophobicContact CD1-CB 3.95Å; I599-L745 HydrophobicContact CG1-CB 4.02Å; I599-L745 HydrophobicContact CG2-CB 4.15Å; I599-L745 HydrophobicContact CG2-CD1 3.98Å; I602-L745 HydrophobicContact CG2-CD1 4.24Å; L741-L745 WeakPolarHBondContact O-CB 3.3Å; L741-L745 VanDerWaalsContact O-CG 3.23Å; L741-L745 WeakPolarHBondContact O-CG 3.48Å; L741-L745 PolarHBondContact O-N 3.25Å; L745-A748 PolarHBondContact O-N 2.88Å; L745-V749 PolarHBondContact O-N 3.39Å; L745-V749 VanDerWaalsContact O-N 3.12Å |
| 746 | Q | 75.5 | Confident | 77.4 | Confident | 61 Ų | 61 | 45.7 Ų | 45.7 | 29% | 0.285 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61 | -45.8 | 173.7 | -75.8 | 176.3 | -20.9 | 0 | 0 | 111.9 | I599 T742 K743 A748 V749 I750 | I599-Q746 HydrophobicContact CD1-CB 4.13Å; I599-Q746 HydrophobicContact CD1-CG 3.37Å; T742-Q746 WeakPolarHBondContact O-CG 3.5Å; T742-Q746 PolarHBondContact O-N 2.96Å; T742-Q746 VanDerWaalsContact O-N 3.08Å; K743-Q746 PolarHBondContact O-N 3.5Å; Q746-A748 VanDerWaalsContact C-N 3.35Å; Q746-A748 PolarHBondContact O-N 3.45Å; Q746-V749 PolarHBondContact O-N 2.88Å; Q746-I750 WeakPolarHBondContact O-CG1 3.37Å; Q746-I750 PolarHBondContact O-N 2.77Å |
| 747 | L | 75 | Confident | 76.8 | Confident | 69 Ų | 69 | 44 Ų | 44 | 36% | 0.361 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.7 | -38.6 | 177.7 | -69.6 | 174.7 | 0 | 0 | 0 | 112.3 | K743 E744 V749 I750 A751 | K743-L747 WeakPolarHBondContact O-CG 3.33Å; K743-L747 PolarHBondContact O-N 3.05Å; K743-L747 VanDerWaalsContact O-N 3.13Å; E744-L747 PolarHBondContact O-N 3.34Å; L747-V749 VanDerWaalsContact C-N 3.32Å; L747-V749 PolarHBondContact O-N 2.99Å; L747-I750 PolarHBondContact O-N 3.17Å; L747-A751 WeakPolarHBondContact O-CB 3.35Å; L747-A751 PolarHBondContact O-N 2.89Å |
| 748 | A | 72.6 | Confident | 76.8 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.3 | -42.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L211 Q214 W371 L374 E744 L745 Q746 A751 T752 | L211-A748 HydrophobicContact CD2-CB 4.15Å; L211-A748 WeakPolarHBondContact CD2-O 3.43Å; Q214-A748 HydrophobicContact CB-CB 4.39Å; W371-A748 HydrophobicContact CH2-CB 3.88Å; W371-A748 HydrophobicContact CZ3-CB 4.31Å; L374-A748 HydrophobicContact CD2-CB 4.07Å; E744-A748 WeakPolarHBondContact O-CB 3.4Å; E744-A748 PolarHBondContact O-N 3.1Å; L745-A748 PolarHBondContact O-N 2.88Å; Q746-A748 VanDerWaalsContact C-N 3.35Å; Q746-A748 PolarHBondContact O-N 3.45Å; A748-A751 WeakPolarHBondContact O-CB 3.43Å; A748-A751 PolarHBondContact O-N 3.15Å; A748-T752 WeakPolarHBondContact O-CG2 3.34Å; A748-T752 PolarHBondContact O-N 2.96Å; A748-T752 VanDerWaalsContact O-N 3.1Å |
| 749 | V | 69.9 | Low | 77 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.024 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.6 | -41 | 177.7 | 176.8 | 0 | 0 | 0 | 0 | 112.3 | L374 L384 L595 L745 Q746 L747 A751 T752 | L374-V749 HydrophobicContact CD1-CG2 3.56Å; L374-V749 HydrophobicContact CD2-CG2 4.09Å; L374-V749 HydrophobicContact CG-CG2 4.02Å; L384-V749 HydrophobicContact CD2-CG1 3.6Å; L595-V749 HydrophobicContact CD1-CB 4.2Å; L595-V749 HydrophobicContact CD1-CG1 3.96Å; L595-V749 HydrophobicContact CD1-CG2 3.74Å; L595-V749 HydrophobicContact CD2-CB 3.37Å; L595-V749 HydrophobicContact CD2-CG1 3.54Å; L595-V749 HydrophobicContact CD2-CG2 3.65Å; L595-V749 HydrophobicContact CG-CB 4.4Å; L595-V749 HydrophobicContact CG-CG1 4.33Å; L595-V749 HydrophobicContact CG-CG2 4.3Å; L745-V749 PolarHBondContact O-N 3.39Å; L745-V749 VanDerWaalsContact O-N 3.12Å; Q746-V749 PolarHBondContact O-N 2.88Å; L747-V749 VanDerWaalsContact C-N 3.32Å; L747-V749 PolarHBondContact O-N 2.99Å; V749-A751 PolarHBondContact O-N 2.87Å; V749-T752 WeakPolarHBondContact O-CB 3.47Å; V749-T752 PolarHBondContact O-N 3.42Å; V749-T752 PolarHBondContact O-OG1 2.96Å |
| 750 | I | 69.5 | Low | 77.3 | Confident | 52 Ų | 52 | 44 Ų | 44 | 27% | 0.267 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.4 | -41.6 | 173.2 | -67.6 | 165.5 | 0 | 0 | 0 | 110.1 | V582 Q746 L747 T752 W753 | V582-I750 HydrophobicContact CG1-CG2 4.11Å; Q746-I750 WeakPolarHBondContact O-CG1 3.37Å; Q746-I750 PolarHBondContact O-N 2.77Å; L747-I750 PolarHBondContact O-N 3.17Å; I750-T752 PolarHBondContact O-N 3.45Å; I750-W753 PolarHBondContact O-N 3.36Å |
| 751 | A | 70.4 | Confident | 77.5 | Confident | 20 Ų | 20 | 39.8 Ų | 39.8 | 17% | 0.165 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.4 | -21.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | T209 L747 A748 V749 W753 | T209-A751 WeakPolarHBondContact CG2-O 3.41Å; T209-A751 PolarHBondContact OG1-O 2.67Å; T209-A751 VanDerWaalsContact OG1-O 3.06Å; L747-A751 WeakPolarHBondContact O-CB 3.35Å; L747-A751 PolarHBondContact O-N 2.89Å; A748-A751 WeakPolarHBondContact O-CB 3.43Å; A748-A751 PolarHBondContact O-N 3.15Å; V749-A751 PolarHBondContact O-N 2.87Å; A751-W753 PolarHBondContact O-N 3.33Å |
| 752 | T | 67.6 | Low | 78.1 | Confident | 18 Ų | 18 | 40.5 Ų | 40.5 | 11% | 0.11 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.9 | -17.2 | 172.2 | 61.6 | 0 | 0 | 0 | 0 | 112.8 | T206 T209 L211 A748 V749 I750 | T206-T752 WeakPolarHBondContact CG2-O 3.23Å; T209-T752 WeakPolarHBondContact OG1-CA 3.28Å; L211-T752 HydrophobicContact CD1-CG2 4.01Å; L211-T752 HydrophobicContact CD2-CG2 3.79Å; L211-T752 HydrophobicContact CG-CG2 4.45Å; A748-T752 WeakPolarHBondContact O-CG2 3.34Å; A748-T752 PolarHBondContact O-N 2.96Å; A748-T752 VanDerWaalsContact O-N 3.1Å; V749-T752 WeakPolarHBondContact O-CB 3.47Å; V749-T752 PolarHBondContact O-N 3.42Å; V749-T752 PolarHBondContact O-OG1 2.96Å; I750-T752 PolarHBondContact O-N 3.45Å |
| 753 | W | 66.5 | Low | 78.8 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 2% | 0.023 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 10.8 | -175.1 | -76.5 | 38.7 | 0 | 0 | 0 | 113.3 | A203 L384 F388 V582 I750 A751 D755 I756 | A203-W753 HydrophobicContact CB-CE3 4.45Å; A203-W753 HydrophobicContact CB-CH2 3.24Å; A203-W753 HydrophobicContact CB-CZ2 3.46Å; A203-W753 VanDerWaalsContact CB-CZ2 3.46Å; A203-W753 HydrophobicContact CB-CZ3 3.68Å; L384-W753 HydrophobicContact CB-CZ2 3.76Å; L384-W753 HydrophobicContact CD2-CD2 3.92Å; L384-W753 HydrophobicContact CD2-CG 4.25Å; L384-W753 HydrophobicContact CD2-CZ2 3.61Å; L384-W753 HydrophobicContact CG-CD2 4.29Å; L384-W753 HydrophobicContact CG-CH2 3.89Å; L384-W753 HydrophobicContact CG-CZ2 3.27Å; F388-W753 HydrophobicContact CD2-CE3 4.43Å; F388-W753 AromaticContact CD2-CH2 3.49Å; F388-W753 HydrophobicContact CD2-CH2 3.49Å; F388-W753 VanDerWaalsContact CD2-CH2 3.49Å; F388-W753 AromaticContact CD2-CZ3 3.25Å; F388-W753 HydrophobicContact CD2-CZ3 3.25Å; F388-W753 HydrophobicContact CE1-CZ3 4.39Å; F388-W753 AromaticContact CE2-CE3 3.82Å; F388-W753 HydrophobicContact CE2-CE3 3.82Å; F388-W753 AromaticContact CE2-CH2 3.71Å; F388-W753 HydrophobicContact CE2-CH2 3.71Å; F388-W753 AromaticContact CE2-CZ3 2.99Å; F388-W753 HydrophobicContact CE2-CZ3 2.99Å; F388-W753 HydrophobicContact CG-CH2 4.32Å; F388-W753 HydrophobicContact CG-CZ3 4.11Å; F388-W753 HydrophobicContact CZ-CE3 4.18Å; F388-W753 AromaticContact CZ-CZ3 3.58Å; F388-W753 HydrophobicContact CZ-CZ3 3.58Å; V582-W753 HydrophobicContact CG2-CB 3.75Å; V582-W753 HydrophobicContact CG2-CE3 3.87Å; I750-W753 PolarHBondContact O-N 3.36Å; A751-W753 PolarHBondContact O-N 3.33Å; W753-D755 PolarHBondContact O-N 3.16Å; W753-I756 HydrophobicContact CB-CD1 4Å; W753-I756 HydrophobicContact CD2-CD1 3.55Å; W753-I756 HydrophobicContact CE3-CD1 3.11Å; W753-I756 HydrophobicContact CG-CD1 3.95Å; W753-I756 HydrophobicContact CH2-CD1 4.47Å; W753-I756 HydrophobicContact CZ3-CD1 3.55Å; W753-I756 PolarHBondContact O-N 3.49Å |
| 754 | H | 71.3 | Confident | 79.4 | Confident | 94 Ų | 94 | 36.2 Ų | 36.2 | 44% | 0.435 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -25.1 | -178.8 | -171.6 | 67.8 | 0 | 0 | 0 | 112.8 | P580 E583 | P580-H754 WeakPolarHBondContact CB-O 3.3Å; P580-H754 WeakPolarHBondContact CG-O 3.28Å; E583-H754 IonicContact OE2-CE1 3.47Å |
| 755 | D | 72.4 | Confident | 80.1 | Confident | 82 Ų | 82 | 36.9 Ų | 36.9 | 44% | 0.439 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 6.5 | -174.2 | -61.7 | -30.8 | 0 | 0 | 0 | 114.2 | M202 T209 W753 P757 | M202-D755 VanDerWaalsContact SD-O 3.41Å; T209-D755 WeakPolarHBondContact CG2-OD2 3.36Å; W753-D755 PolarHBondContact O-N 3.16Å; D755-P757 VanDerWaalsContact O-CD 3.28Å; D755-P757 WeakPolarHBondContact O-CD 2.98Å |
| 756 | I | 78.2 | Confident | 81 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -72.4 | 115.6 | -178.7 | -62.9 | 177.5 | 0 | 0 | 0 | 110.2 | M199 A203 F581 W753 C758 | M199-I756 HydrophobicContact CB-CG2 4.15Å; M199-I756 HydrophobicContact CG-CG2 3.86Å; A203-I756 HydrophobicContact CB-CD1 4.05Å; F581-I756 HydrophobicContact CB-CG2 4.2Å; F581-I756 PolarHBondContact N-O 3.25Å; W753-I756 HydrophobicContact CB-CD1 4Å; W753-I756 HydrophobicContact CD2-CD1 3.55Å; W753-I756 HydrophobicContact CE3-CD1 3.11Å; W753-I756 HydrophobicContact CG-CD1 3.95Å; W753-I756 HydrophobicContact CH2-CD1 4.47Å; W753-I756 HydrophobicContact CZ3-CD1 3.55Å; W753-I756 PolarHBondContact O-N 3.49Å; I756-C758 PolarHBondContact O-N 3.35Å | ||
| 757 | P | 76.9 | Confident | 82 | Confident | 59 Ų | 59 | 41.9 Ų | 41.9 | 38% | 0.383 | 22% | 0.219 | S | C | . | . | trans | -69.3 | 134.2 | -174.9 | 28.8 | -35.9 | 0 | 0 | 0 | 109.9 | M199 M202 D755 | M199-P757 WeakPolarHBondContact CE-O 2.96Å; M202-P757 HydrophobicContact CE-CG 4.01Å; M202-P757 WeakPolarHBondContact SD-CD 2.73Å; M202-P757 HydrophobicContact SD-CG 4.1Å; D755-P757 VanDerWaalsContact O-CD 3.28Å; D755-P757 WeakPolarHBondContact O-CD 2.98Å | ||
| 758 | C | 87 | Confident | 82.8 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 3% | 0.027 | 21% | 0.211 | C | C | . | . | trans | -108.4 | -10.3 | 176.3 | -159 | 0 | 0 | 0 | 0 | 114.4 | M199 C576 F581 I756 S760 L761 R762 | M199-C758 HydrophobicContact CE-CB 4.28Å; C576-C758 HydrophobicContact CB-CB 3.4Å; C576-C758 WeakPolarHBondContact CB-SG 3.38Å; C576-C758 WeakPolarHBondContact SG-CB 2.86Å; C576-C758 CovalentContact SG-SG 1.99Å; C576-C758 PolarHBondContact SG-SG 3.43Å; F581-C758 HydrophobicContact CB-CB 4.05Å; F581-C758 VanDerWaalsContact CD2-SG 3.55Å; I756-C758 PolarHBondContact O-N 3.35Å; C758-S760 PolarHBondContact O-N 3.04Å; C758-L761 PolarHBondContact O-N 3Å; C758-R762 PolarHBondContact O-N 3.46Å | ||
| 759 | Q | 91.1 | Very high | 83.9 | Confident | 111 Ų | 111 | 40.4 Ų | 40.4 | 52% | 0.519 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.6 | -43.3 | -171.1 | -171.3 | 178.1 | 4 | 0 | 0 | 113.3 | C576 L761 R762 L763 | C576-Q759 WeakPolarHBondContact O-CA 3.49Å; Q759-L761 VanDerWaalsContact C-N 3.31Å; Q759-L761 PolarHBondContact O-N 2.7Å; Q759-R762 WeakPolarHBondContact O-CB 3.3Å; Q759-R762 PolarHBondContact O-N 3.4Å; Q759-L763 HydrophobicContact CG-CD1 4.32Å; Q759-L763 WeakPolarHBondContact O-CG 3.37Å; Q759-L763 PolarHBondContact O-N 3.37Å |
| 760 | S | 92.4 | Very high | 85.1 | Confident | 70 Ų | 70 | 42.5 Ų | 42.5 | 49% | 0.49 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 178.3 | -53.7 | 0 | 0 | 0 | 0 | 111.7 | C758 R762 L763 A764 | C758-S760 PolarHBondContact O-N 3.04Å; S760-R762 PolarHBondContact O-N 3.47Å; S760-L763 PolarHBondContact O-N 3.29Å; S760-A764 PolarHBondContact O-N 3.48Å |
| 761 | L | 91.4 | Very high | 86.3 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 176.3 | -172.6 | 70.9 | 0 | 0 | 0 | 111.4 | F192 A195 L196 M199 I572 F581 C758 Q759 A764 A765 | F192-L761 HydrophobicContact CD1-CD1 4.03Å; F192-L761 HydrophobicContact CD2-CD1 3.64Å; F192-L761 HydrophobicContact CD2-CG 4.45Å; F192-L761 HydrophobicContact CE1-CD1 3.85Å; F192-L761 HydrophobicContact CE2-CD1 3.43Å; F192-L761 VanDerWaalsContact CE2-CD1 3.43Å; F192-L761 HydrophobicContact CE2-CG 4Å; F192-L761 HydrophobicContact CG-CD1 3.95Å; F192-L761 HydrophobicContact CZ-CD1 3.56Å; F192-L761 HydrophobicContact CZ-CG 4.33Å; A195-L761 HydrophobicContact CB-CB 4.14Å; A195-L761 HydrophobicContact CB-CD1 4.13Å; L196-L761 HydrophobicContact CD2-CD1 4.06Å; L196-L761 HydrophobicContact CG-CD1 4.13Å; M199-L761 HydrophobicContact CE-CB 3.5Å; M199-L761 VanDerWaalsContact CE-CB 3.5Å; M199-L761 HydrophobicContact CE-CD2 3.64Å; M199-L761 HydrophobicContact CE-CG 4.13Å; M199-L761 HydrophobicContact SD-CB 4.43Å; M199-L761 HydrophobicContact SD-CD2 3.97Å; I572-L761 HydrophobicContact CD1-CD2 4.32Å; I572-L761 HydrophobicContact CG1-CD2 4.17Å; I572-L761 HydrophobicContact CG2-CG 4.32Å; F581-L761 HydrophobicContact CD2-CD2 3.99Å; F581-L761 HydrophobicContact CE2-CD2 3.63Å; C758-L761 PolarHBondContact O-N 3Å; Q759-L761 VanDerWaalsContact C-N 3.31Å; Q759-L761 PolarHBondContact O-N 2.7Å; L761-A764 PolarHBondContact O-N 2.89Å; L761-A765 WeakPolarHBondContact O-CB 3.34Å; L761-A765 PolarHBondContact O-N 3.28Å |
| 762 | R | 94.8 | Very high | 87.3 | Confident | 23 Ų | 23 | 41.4 Ų | 41.4 | 9% | 0.087 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.4 | -48.4 | 174.1 | 178.2 | -177.3 | 83.5 | 113.2 | -4.5 | 111.9 | I572 C576 E577 C758 Q759 S760 A764 A765 K766 | I572-R762 WeakPolarHBondContact O-CB 3.45Å; I572-R762 WeakPolarHBondContact O-CG 3.37Å; C576-R762 HydrophobicContact CB-CB 4.08Å; E577-R762 VanDerWaalsContact CD-NH1 3.32Å; E577-R762 IonicContact OE1-CZ 3.86Å; E577-R762 IonicContact OE1-NH1 3.27Å; E577-R762 PolarHBondContact OE1-NH1 3.05Å; E577-R762 IonicContact OE1-NH2 2.81Å; E577-R762 PolarHBondContact OE1-NH2 3.46Å; E577-R762 IonicContact OE2-NH1 2.78Å; C758-R762 PolarHBondContact O-N 3.46Å; Q759-R762 WeakPolarHBondContact O-CB 3.3Å; Q759-R762 PolarHBondContact O-N 3.4Å; S760-R762 PolarHBondContact O-N 3.47Å; R762-A764 VanDerWaalsContact C-N 3.3Å; R762-A764 PolarHBondContact O-N 3.42Å; R762-A765 PolarHBondContact O-N 2.93Å; R762-K766 VanDerWaalsContact O-CB 3.29Å; R762-K766 WeakPolarHBondContact O-CB 3.45Å; R762-K766 PolarHBondContact O-N 3.01Å |
| 763 | L | 95.5 | Very high | 88.6 | Confident | 77 Ų | 77 | 40.8 Ų | 40.8 | 40% | 0.403 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.4 | -41.7 | -177.6 | -71.7 | 172.9 | 0 | 0 | 0 | 111.2 | Q759 S760 R767 | Q759-L763 HydrophobicContact CG-CD1 4.32Å; Q759-L763 WeakPolarHBondContact O-CG 3.37Å; Q759-L763 PolarHBondContact O-N 3.37Å; S760-L763 PolarHBondContact O-N 3.29Å; L763-R767 WeakPolarHBondContact O-CB 3.5Å; L763-R767 PolarHBondContact O-N 3.15Å |
| 764 | A | 94.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.3 | -49.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | S188 E191 F192 S760 L761 R762 K766 R767 G768 | S188-A764 WeakPolarHBondContact CB-O 3.38Å; E191-A764 HydrophobicContact CB-CB 3.73Å; F192-A764 HydrophobicContact CB-CB 3.88Å; F192-A764 HydrophobicContact CD2-CB 4.18Å; S760-A764 PolarHBondContact O-N 3.48Å; L761-A764 PolarHBondContact O-N 2.89Å; R762-A764 VanDerWaalsContact C-N 3.3Å; R762-A764 PolarHBondContact O-N 3.42Å; A764-K766 PolarHBondContact O-N 3.3Å; A764-R767 WeakPolarHBondContact O-CB 3.35Å; A764-R767 PolarHBondContact O-N 3.01Å; A764-G768 PolarHBondContact O-N 3.11Å; A764-G768 VanDerWaalsContact O-N 3.11Å |
| 765 | A | 93.6 | Very high | 91 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 16% | 0.157 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F192 I572 L573 L761 R762 R767 G768 V769 | F192-A765 HydrophobicContact CD2-CB 4.28Å; F192-A765 HydrophobicContact CE2-CB 4.08Å; I572-A765 HydrophobicContact CG2-CB 3.48Å; I572-A765 VanDerWaalsContact CG2-CB 3.48Å; L573-A765 HydrophobicContact CD2-CB 3.89Å; L761-A765 WeakPolarHBondContact O-CB 3.34Å; L761-A765 PolarHBondContact O-N 3.28Å; R762-A765 PolarHBondContact O-N 2.93Å; A765-R767 VanDerWaalsContact C-N 3.31Å; A765-R767 PolarHBondContact O-N 3.24Å; A765-G768 PolarHBondContact O-N 3.18Å; A765-G768 VanDerWaalsContact O-N 3.14Å; A765-V769 WeakPolarHBondContact O-CG2 3.49Å; A765-V769 PolarHBondContact O-N 3.36Å |
| 766 | K | 95.5 | Very high | 92 | Very high | 97 Ų | 97 | 37 Ų | 37 | 42% | 0.422 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.7 | -40.8 | 177.2 | -179.5 | 170.8 | 179.8 | 169.2 | 0 | 111.4 | L573 R762 A764 G768 V769 D770 | L573-K766 HydrophobicContact CD2-CB 4.39Å; R762-K766 VanDerWaalsContact O-CB 3.29Å; R762-K766 WeakPolarHBondContact O-CB 3.45Å; R762-K766 PolarHBondContact O-N 3.01Å; A764-K766 PolarHBondContact O-N 3.3Å; K766-G768 VanDerWaalsContact C-N 3.3Å; K766-G768 PolarHBondContact O-N 3.34Å; K766-V769 WeakPolarHBondContact O-CB 3.47Å; K766-V769 PolarHBondContact O-N 2.95Å; K766-D770 WeakPolarHBondContact O-CB 3.31Å; K766-D770 VanDerWaalsContact O-CG 3.32Å; K766-D770 PolarHBondContact O-N 3.16Å |
| 767 | R | 95.2 | Very high | 92.9 | Very high | 70 Ų | 70 | 37.1 Ų | 37.1 | 26% | 0.264 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62 | -38.2 | 175.4 | -170.1 | 174.6 | -54.8 | 169.8 | 20.5 | 112.5 | Q184 L187 E191 L763 A764 A765 D770 S771 | Q184-R767 HydrophobicContact CG-CG 3.69Å; L187-R767 VanDerWaalsContact CG-NH1 3.27Å; E191-R767 VanDerWaalsContact CD-NH2 3.28Å; E191-R767 IonicContact OE1-CZ 3.46Å; E191-R767 IonicContact OE1-NH1 2.65Å; E191-R767 PolarHBondContact OE1-NH1 3.3Å; E191-R767 IonicContact OE1-NH2 3.73Å; E191-R767 PolarHBondContact OE1-NH2 3.28Å; E191-R767 IonicContact OE2-CZ 2.93Å; E191-R767 IonicContact OE2-NE 2.68Å; E191-R767 PolarHBondContact OE2-NE 3.18Å; E191-R767 IonicContact OE2-NH1 3.16Å; E191-R767 PolarHBondContact OE2-NH1 2.92Å; E191-R767 IonicContact OE2-NH2 3.24Å; E191-R767 PolarHBondContact OE2-NH2 3.34Å; L763-R767 WeakPolarHBondContact O-CB 3.5Å; L763-R767 PolarHBondContact O-N 3.15Å; A764-R767 WeakPolarHBondContact O-CB 3.35Å; A764-R767 PolarHBondContact O-N 3.01Å; A765-R767 VanDerWaalsContact C-N 3.31Å; A765-R767 PolarHBondContact O-N 3.24Å; R767-D770 PolarHBondContact O-N 3.03Å; R767-S771 WeakPolarHBondContact O-CB 3.3Å; R767-S771 PolarHBondContact O-N 3.1Å |
| 768 | G | 92.8 | Very high | 93.7 | Very high | 19 Ų | 19 | 34.7 Ų | 34.7 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.3 | -42.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S188 A764 A765 K766 S771 V772 | S188-G768 WeakPolarHBondContact OG-CA 3.4Å; A764-G768 PolarHBondContact O-N 3.11Å; A764-G768 VanDerWaalsContact O-N 3.11Å; A765-G768 PolarHBondContact O-N 3.18Å; A765-G768 VanDerWaalsContact O-N 3.14Å; K766-G768 VanDerWaalsContact C-N 3.3Å; K766-G768 PolarHBondContact O-N 3.34Å; G768-S771 WeakPolarHBondContact O-CB 3.37Å; G768-S771 PolarHBondContact O-N 3.09Å; G768-V772 PolarHBondContact O-N 3.29Å |
| 769 | V | 95.4 | Very high | 94.2 | Very high | 21 Ų | 21 | 34.7 Ų | 34.7 | 13% | 0.127 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.5 | -47.7 | 173.7 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | L508 T509 L573 A765 K766 S771 V772 C773 | L508-V769 HydrophobicContact CB-CG1 3.64Å; L508-V769 HydrophobicContact CB-CG2 4.15Å; L508-V769 HydrophobicContact CD1-CG2 4.19Å; T509-V769 HydrophobicContact CG2-CG1 3.87Å; L573-V769 HydrophobicContact CD1-CG2 4.2Å; L573-V769 HydrophobicContact CD2-CG2 4.21Å; A765-V769 WeakPolarHBondContact O-CG2 3.49Å; A765-V769 PolarHBondContact O-N 3.36Å; K766-V769 WeakPolarHBondContact O-CB 3.47Å; K766-V769 PolarHBondContact O-N 2.95Å; V769-S771 VanDerWaalsContact C-N 3.33Å; V769-S771 PolarHBondContact O-N 3.45Å; V769-V772 PolarHBondContact O-N 2.98Å; V769-C773 HydrophobicContact CG1-CB 4.4Å; V769-C773 WeakPolarHBondContact O-CB 3.42Å; V769-C773 PolarHBondContact O-N 3.2Å; V769-C773 PolarHBondContact O-SG 3.32Å |
| 770 | D | 95.1 | Very high | 94.4 | Very high | 47 Ų | 47 | 30.8 Ų | 30.8 | 25% | 0.251 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -65.4 | -35.8 | -178 | -70.7 | -19.5 | 0 | 0 | 0 | 111.7 | K766 R767 V772 Y774 T775 | K766-D770 WeakPolarHBondContact O-CB 3.31Å; K766-D770 VanDerWaalsContact O-CG 3.32Å; K766-D770 PolarHBondContact O-N 3.16Å; R767-D770 PolarHBondContact O-N 3.03Å; D770-V772 VanDerWaalsContact C-N 3.34Å; D770-V772 PolarHBondContact O-N 3.44Å; D770-Y774 CarbonylContact O-C 3.56Å; D770-Y774 WeakPolarHBondContact O-CA 3.2Å; D770-Y774 VanDerWaalsContact O-CB 3.22Å; D770-Y774 WeakPolarHBondContact O-CB 3.48Å; D770-Y774 PolarHBondContact O-N 3.45Å; D770-T775 PolarHBondContact O-N 3.17Å |
| 771 | S | 94.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 3% | 0.028 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -53.4 | -49.7 | 172.4 | 159.4 | 0 | 0 | 0 | 0 | 112.2 | A181 R767 G768 V769 T775 F776 | A181-S771 PolarHBondContact O-OG 3.35Å; R767-S771 WeakPolarHBondContact O-CB 3.3Å; R767-S771 PolarHBondContact O-N 3.1Å; G768-S771 WeakPolarHBondContact O-CB 3.37Å; G768-S771 PolarHBondContact O-N 3.09Å; V769-S771 VanDerWaalsContact C-N 3.33Å; V769-S771 PolarHBondContact O-N 3.45Å; S771-T775 WeakPolarHBondContact O-CB 3.38Å; S771-T775 PolarHBondContact O-N 3.46Å; S771-F776 PolarHBondContact O-N 3.21Å |
| 772 | V | 92 | Very high | 94.8 | Very high | 46 Ų | 46 | 27.5 Ų | 27.5 | 28% | 0.279 | 14% | 0.138 | S | C | . | . | I | π-helix | trans | -78.2 | -49.4 | -177.5 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | G768 V769 D770 F776 L777 | G768-V772 PolarHBondContact O-N 3.29Å; V769-V772 PolarHBondContact O-N 2.98Å; D770-V772 VanDerWaalsContact C-N 3.34Å; D770-V772 PolarHBondContact O-N 3.44Å; V772-F776 WeakPolarHBondContact O-CB 3.39Å; V772-L777 WeakPolarHBondContact O-CB 3.35Å; V772-L777 WeakPolarHBondContact O-CG 3.4Å; V772-L777 PolarHBondContact O-N 3.36Å |
| 773 | C | 95.5 | Very high | 94.8 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 3% | 0.027 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -84 | -32 | -167.3 | -65.9 | 0 | 0 | 0 | 0 | 114.2 | C505 T509 V769 M778 | C505-C773 WeakPolarHBondContact CA-SG 3.23Å; C505-C773 HydrophobicContact CB-CB 3.5Å; C505-C773 WeakPolarHBondContact CB-SG 3.05Å; C505-C773 WeakPolarHBondContact SG-CA 3.5Å; C505-C773 WeakPolarHBondContact SG-CB 3.27Å; C505-C773 CovalentContact SG-SG 2.03Å; C505-C773 PolarHBondContact SG-SG 3.43Å; T509-C773 HydrophobicContact CG2-CB 3.54Å; V769-C773 HydrophobicContact CG1-CB 4.4Å; V769-C773 WeakPolarHBondContact O-CB 3.42Å; V769-C773 PolarHBondContact O-N 3.2Å; V769-C773 PolarHBondContact O-SG 3.32Å; C773-M778 WeakPolarHBondContact O-CG 3.34Å |
| 774 | Y | 93.9 | Very high | 94.8 | Very high | 79 Ų | 79 | 24.1 Ų | 24.1 | 31% | 0.31 | 12% | 0.12 | S | C | . | . | I | π-helix | trans | -104.8 | -48.6 | -176.6 | -169.1 | -99.2 | 0 | 0 | 0 | 110.4 | R38 D770 M778 | R38-Y774 PolarHBondContact NH2-O 3.46Å; D770-Y774 CarbonylContact O-C 3.56Å; D770-Y774 WeakPolarHBondContact O-CA 3.2Å; D770-Y774 VanDerWaalsContact O-CB 3.22Å; D770-Y774 WeakPolarHBondContact O-CB 3.48Å; D770-Y774 PolarHBondContact O-N 3.45Å; Y774-M778 HydrophobicContact CD1-CE 3.79Å; Y774-M778 HydrophobicContact CD2-CE 3.05Å; Y774-M778 HydrophobicContact CD2-CG 4.5Å; Y774-M778 HydrophobicContact CD2-SD 3.3Å; Y774-M778 WeakPolarHBondContact CD2-SD 3.15Å; Y774-M778 HydrophobicContact CE1-CE 3.7Å; Y774-M778 HydrophobicContact CE2-CE 3Å; Y774-M778 HydrophobicContact CE2-SD 3.52Å; Y774-M778 VanDerWaalsContact CE2-SD 3.52Å; Y774-M778 HydrophobicContact CG-CE 3.43Å; Y774-M778 VanDerWaalsContact CG-CE 3.43Å; Y774-M778 HydrophobicContact CG-SD 4.06Å; Y774-M778 WeakPolarHBondContact O-CB 3.28Å; Y774-M778 WeakPolarHBondContact O-CE 3.43Å; Y774-M778 WeakPolarHBondContact O-CG 3.45Å |
| 775 | T | 93.7 | Very high | 94.9 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.018 | 12% | 0.123 | C | C | . | . | I | π-helix | trans | -79.8 | -45.1 | -174.6 | -56.5 | 0 | 0 | 0 | 0 | 113.3 | R38 A171 I179 A181 Q184 D770 S771 P779 | R38-T775 VanDerWaalsContact NH2-CA 3.26Å; R38-T775 PolarHBondContact NH2-OG1 2.87Å; A171-T775 HydrophobicContact CB-CG2 4.06Å; A171-T775 WeakPolarHBondContact CB-O 3.24Å; I179-T775 WeakPolarHBondContact O-CG2 3.43Å; A181-T775 HydrophobicContact CB-CG2 3.95Å; Q184-T775 PolarHBondContact OE1-OG1 3.26Å; D770-T775 PolarHBondContact O-N 3.17Å; S771-T775 WeakPolarHBondContact O-CB 3.38Å; S771-T775 PolarHBondContact O-N 3.46Å; T775-P779 WeakPolarHBondContact O-CD 3.22Å; T775-P779 WeakPolarHBondContact O-CG 3.34Å |
| 776 | F | 94.1 | Very high | 95 | Very high | 22 Ų | 22 | 24 Ų | 24 | 10% | 0.096 | 12% | 0.119 | C | C | . | . | I | π-helix | trans | -84 | -57.4 | 177.7 | 176.3 | -89 | 0 | 0 | 0 | 113 | L16 F168 L172 A181 S771 V772 M778 F780 | L16-F776 HydrophobicContact CD2-CE2 3.68Å; L16-F776 HydrophobicContact CD2-CZ 4.01Å; F168-F776 AromaticContact CE2-CD2 3.77Å; F168-F776 HydrophobicContact CE2-CD2 3.77Å; F168-F776 AromaticContact CE2-CE2 3.54Å; F168-F776 HydrophobicContact CE2-CE2 3.54Å; F168-F776 HydrophobicContact CE2-CG 4.39Å; F168-F776 AromaticContact CE2-CZ 3.95Å; F168-F776 HydrophobicContact CE2-CZ 3.95Å; F168-F776 AromaticContact CZ-CE2 3.91Å; F168-F776 HydrophobicContact CZ-CE2 3.91Å; F168-F776 HydrophobicContact CZ-CZ 4.23Å; L172-F776 HydrophobicContact CD2-CD2 3.69Å; L172-F776 HydrophobicContact CD2-CE2 3.64Å; A181-F776 HydrophobicContact CB-CB 3.93Å; S771-F776 PolarHBondContact O-N 3.21Å; V772-F776 WeakPolarHBondContact O-CB 3.39Å; F776-M778 PolarHBondContact O-N 3.08Å; F776-F780 WeakPolarHBondContact O-CB 3.5Å |
| 777 | L | 95.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -74 | -29.2 | -166.8 | -80.8 | 179 | 0 | 0 | 0 | 115.3 | L500 C505 V772 N781 | L500-L777 HydrophobicContact CB-CD1 3.82Å; L500-L777 HydrophobicContact CB-CD2 4.27Å; L500-L777 HydrophobicContact CD1-CD2 4.29Å; C505-L777 WeakPolarHBondContact SG-CD1 3.16Å; V772-L777 WeakPolarHBondContact O-CB 3.35Å; V772-L777 WeakPolarHBondContact O-CG 3.4Å; V772-L777 PolarHBondContact O-N 3.36Å; L777-N781 VanDerWaalsContact O-CB 3.25Å; L777-N781 WeakPolarHBondContact O-CB 3.44Å; L777-N781 VanDerWaalsContact O-CG 3.25Å; L777-N781 PolarHBondContact O-N 2.94Å; L777-N781 PolarHBondContact O-ND2 2.87Å; L777-N781 VanDerWaalsContact O-ND2 3.09Å |
| 778 | M | 95.1 | Very high | 94.9 | Very high | 9 Ų | 9 | 17.1 Ų | 17.1 | 4% | 0.044 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.6 | -53.3 | -176.8 | -68.1 | -162.7 | -44.8 | 0 | 0 | 114 | Y45 C773 Y774 F776 F780 N781 A782 | Y45-M778 HydrophobicContact CD1-CB 3.66Å; Y45-M778 HydrophobicContact CD2-CB 4.23Å; Y45-M778 HydrophobicContact CD2-CE 3.36Å; Y45-M778 HydrophobicContact CD2-SD 3.9Å; Y45-M778 HydrophobicContact CE1-CB 3.95Å; Y45-M778 HydrophobicContact CE2-CB 4.5Å; Y45-M778 HydrophobicContact CE2-CE 3.64Å; Y45-M778 HydrophobicContact CG-CB 3.82Å; Y45-M778 HydrophobicContact CG-CE 3.93Å; Y45-M778 HydrophobicContact CG-CG 4.39Å; Y45-M778 HydrophobicContact CG-SD 3.92Å; C773-M778 WeakPolarHBondContact O-CG 3.34Å; Y774-M778 HydrophobicContact CD1-CE 3.79Å; Y774-M778 HydrophobicContact CD2-CE 3.05Å; Y774-M778 HydrophobicContact CD2-CG 4.5Å; Y774-M778 HydrophobicContact CD2-SD 3.3Å; Y774-M778 WeakPolarHBondContact CD2-SD 3.15Å; Y774-M778 HydrophobicContact CE1-CE 3.7Å; Y774-M778 HydrophobicContact CE2-CE 3Å; Y774-M778 HydrophobicContact CE2-SD 3.52Å; Y774-M778 VanDerWaalsContact CE2-SD 3.52Å; Y774-M778 HydrophobicContact CG-CE 3.43Å; Y774-M778 VanDerWaalsContact CG-CE 3.43Å; Y774-M778 HydrophobicContact CG-SD 4.06Å; Y774-M778 WeakPolarHBondContact O-CB 3.28Å; Y774-M778 WeakPolarHBondContact O-CE 3.43Å; Y774-M778 WeakPolarHBondContact O-CG 3.45Å; F776-M778 PolarHBondContact O-N 3.08Å; M778-F780 VanDerWaalsContact C-N 3.27Å; M778-F780 PolarHBondContact O-N 3.32Å; M778-N781 PolarHBondContact O-N 2.77Å; M778-N781 VanDerWaalsContact O-N 3.14Å; M778-A782 WeakPolarHBondContact O-CB 3.5Å; M778-A782 PolarHBondContact O-N 3.39Å |
| 779 | P | 96 | Very high | 95 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.019 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.6 | -38.2 | 175.4 | 25 | -34.1 | 0 | 0 | 0 | 111.5 | Y45 N164 L167 F168 T775 N781 A782 F783 | Y45-P779 HydrophobicContact CE1-CB 4.32Å; N164-P779 WeakPolarHBondContact O-CB 3.16Å; L167-P779 HydrophobicContact CB-CB 4.06Å; F168-P779 HydrophobicContact CB-CB 4.06Å; F168-P779 HydrophobicContact CB-CG 4.31Å; T775-P779 WeakPolarHBondContact O-CD 3.22Å; T775-P779 WeakPolarHBondContact O-CG 3.34Å; P779-N781 VanDerWaalsContact C-N 3.31Å; P779-N781 PolarHBondContact O-N 2.9Å; P779-A782 PolarHBondContact O-N 3.25Å; P779-F783 WeakPolarHBondContact O-CB 3.43Å; P779-F783 PolarHBondContact O-N 2.91Å |
| 780 | F | 95.6 | Very high | 95 | Very high | 30 Ų | 30 | 20 Ų | 20 | 13% | 0.132 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.7 | -43.9 | 173.3 | -173.4 | -97.2 | 0 | 0 | 0 | 112.5 | F168 P493 F496 F776 M778 W784 | F168-F780 HydrophobicContact CD1-CD2 4.44Å; F168-F780 HydrophobicContact CD2-CB 3.86Å; F168-F780 HydrophobicContact CD2-CD2 4.11Å; F168-F780 HydrophobicContact CD2-CG 4.49Å; F168-F780 AromaticContact CE1-CD2 3.99Å; F168-F780 HydrophobicContact CE1-CD2 3.99Å; F168-F780 HydrophobicContact CE1-CE2 4.48Å; F168-F780 HydrophobicContact CE2-CB 3.94Å; F168-F780 AromaticContact CE2-CD2 3.62Å; F168-F780 HydrophobicContact CE2-CD2 3.62Å; F168-F780 HydrophobicContact CE2-CG 4.19Å; F168-F780 HydrophobicContact CG-CD2 4.49Å; F168-F780 AromaticContact CZ-CD2 3.56Å; F168-F780 HydrophobicContact CZ-CD2 3.56Å; F168-F780 HydrophobicContact CZ-CE2 4.13Å; P493-F780 HydrophobicContact CB-CE1 3.7Å; P493-F780 HydrophobicContact CB-CE2 4.32Å; P493-F780 HydrophobicContact CB-CZ 3.58Å; P493-F780 HydrophobicContact CG-CZ 4.24Å; P493-F780 WeakPolarHBondContact O-CE1 3.44Å; F496-F780 AromaticContact CD1-CE1 3.98Å; F496-F780 HydrophobicContact CD1-CE1 3.98Å; F496-F780 HydrophobicContact CD1-CZ 4.07Å; F776-F780 WeakPolarHBondContact O-CB 3.5Å; M778-F780 VanDerWaalsContact C-N 3.27Å; M778-F780 PolarHBondContact O-N 3.32Å; F780-W784 VanDerWaalsContact O-CD1 3.28Å |
| 781 | N | 96.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -75.1 | -35.4 | 179.9 | -76.8 | -37.1 | 0 | 0 | 0 | 113.7 | G497 G498 L777 M778 P779 F783 W784 T785 | G497-N781 VanDerWaalsContact CA-OD1 3.29Å; G497-N781 WeakPolarHBondContact CA-OD1 3.41Å; G497-N781 PolarHBondContact O-ND2 3.03Å; G497-N781 PolarHBondContact O-OD1 3.4Å; G498-N781 PolarHBondContact N-OD1 3.43Å; L777-N781 VanDerWaalsContact O-CB 3.25Å; L777-N781 WeakPolarHBondContact O-CB 3.44Å; L777-N781 VanDerWaalsContact O-CG 3.25Å; L777-N781 PolarHBondContact O-N 2.94Å; L777-N781 PolarHBondContact O-ND2 2.87Å; L777-N781 VanDerWaalsContact O-ND2 3.09Å; M778-N781 PolarHBondContact O-N 2.77Å; M778-N781 VanDerWaalsContact O-N 3.14Å; P779-N781 VanDerWaalsContact C-N 3.31Å; P779-N781 PolarHBondContact O-N 2.9Å; N781-F783 VanDerWaalsContact C-N 3.34Å; N781-W784 VanDerWaalsContact CA-NE1 3.31Å; N781-W784 HydrophobicContact CB-CZ2 4.37Å; N781-W784 PolarHBondContact O-NE1 3.19Å; N781-W784 PolarHBondContact OD1-NE1 3.36Å; N781-T785 WeakPolarHBondContact O-CB 3.48Å; N781-T785 PolarHBondContact O-N 3.45Å; N781-T785 VanDerWaalsContact O-N 3.15Å; N781-T785 PolarHBondContact O-OG1 3.4Å |
| 782 | A | 96.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 2% | 0.017 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -70.9 | -30.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y45 S48 N164 M778 P779 T785 G786 | Y45-A782 HydrophobicContact CD1-CB 3.75Å; Y45-A782 HydrophobicContact CE1-CB 3.95Å; S48-A782 WeakPolarHBondContact OG-CA 3.17Å; N164-A782 HydrophobicContact CB-CB 4.06Å; N164-A782 VanDerWaalsContact CG-CB 3.45Å; N164-A782 WeakPolarHBondContact ND2-CB 3.42Å; M778-A782 WeakPolarHBondContact O-CB 3.5Å; M778-A782 PolarHBondContact O-N 3.39Å; P779-A782 PolarHBondContact O-N 3.25Å; A782-T785 PolarHBondContact O-N 3.47Å; A782-G786 PolarHBondContact O-N 3.2Å |
| 783 | F | 95.7 | Very high | 95.3 | Very high | 16 Ų | 16 | 22.7 Ų | 22.7 | 7% | 0.07 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -55.3 | -59.1 | 172 | 162.1 | -104.8 | 0 | 0 | 0 | 112 | A161 N164 H165 L433 P779 N781 T785 G786 L787 | A161-F783 HydrophobicContact CB-CD2 4.3Å; N164-F783 HydrophobicContact CB-CB 4.45Å; H165-F783 HydrophobicContact CB-CD2 3.84Å; H165-F783 HydrophobicContact CB-CE2 4.31Å; L433-F783 HydrophobicContact CD1-CD2 4.44Å; L433-F783 HydrophobicContact CD1-CE2 4Å; L433-F783 HydrophobicContact CD2-CE2 4.06Å; L433-F783 HydrophobicContact CG-CE2 4.13Å; P779-F783 WeakPolarHBondContact O-CB 3.43Å; P779-F783 PolarHBondContact O-N 2.91Å; N781-F783 VanDerWaalsContact C-N 3.34Å; F783-T785 VanDerWaalsContact C-N 3.26Å; F783-T785 PolarHBondContact O-N 3.42Å; F783-G786 PolarHBondContact O-N 3.38Å; F783-L787 HydrophobicContact CZ-CD2 4.41Å; F783-L787 PolarHBondContact O-N 2.95Å; F783-L787 VanDerWaalsContact O-N 3.12Å |
| 784 | W | 95.3 | Very high | 95.3 | Very high | 13 Ų | 13 | 22.5 Ų | 22.5 | 5% | 0.049 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -71 | -26.4 | -177.5 | 67.9 | -106 | 0 | 0 | 0 | 112 | F51 L52 P493 F494 F780 N781 G788 | F51-W784 AromaticContact CD1-CH2 3.88Å; F51-W784 HydrophobicContact CD1-CH2 3.88Å; F51-W784 HydrophobicContact CD1-CZ3 4.24Å; F51-W784 HydrophobicContact CE1-CH2 4.04Å; F51-W784 HydrophobicContact CE1-CZ3 4.1Å; L52-W784 HydrophobicContact CD1-CZ2 4.21Å; L52-W784 HydrophobicContact CD2-CH2 3.96Å; L52-W784 HydrophobicContact CD2-CZ2 3.86Å; L52-W784 HydrophobicContact CG-CH2 4.31Å; L52-W784 HydrophobicContact CG-CZ2 4.19Å; P493-W784 HydrophobicContact CB-CB 4Å; P493-W784 HydrophobicContact CB-CG 4.06Å; F494-W784 HydrophobicContact CB-CD2 3.91Å; F494-W784 HydrophobicContact CB-CE3 4Å; F494-W784 HydrophobicContact CB-CG 4.39Å; F494-W784 HydrophobicContact CB-CZ3 4.41Å; F494-W784 HydrophobicContact CD2-CD2 4.38Å; F494-W784 HydrophobicContact CD2-CE3 4.05Å; F494-W784 AromaticContact CD2-CH2 3.45Å; F494-W784 HydrophobicContact CD2-CH2 3.45Å; F494-W784 VanDerWaalsContact CD2-CH2 3.45Å; F494-W784 AromaticContact CD2-CZ2 3.73Å; F494-W784 HydrophobicContact CD2-CZ2 3.73Å; F494-W784 AromaticContact CD2-CZ3 3.59Å; F494-W784 HydrophobicContact CD2-CZ3 3.59Å; F494-W784 HydrophobicContact CE2-CH2 4.02Å; F494-W784 HydrophobicContact CE2-CZ3 4.31Å; F494-W784 HydrophobicContact CG-CE3 4.44Å; F494-W784 HydrophobicContact CG-CZ3 4.37Å; F780-W784 VanDerWaalsContact O-CD1 3.28Å; N781-W784 VanDerWaalsContact CA-NE1 3.31Å; N781-W784 HydrophobicContact CB-CZ2 4.37Å; N781-W784 PolarHBondContact O-NE1 3.19Å; N781-W784 PolarHBondContact OD1-NE1 3.36Å; W784-G788 PolarHBondContact O-N 2.91Å |
| 785 | T | 95.8 | Very high | 95.4 | Very high | 10 Ų | 10 | 22.7 Ų | 22.7 | 6% | 0.061 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.9 | -48.8 | 174 | -63 | 0 | 0 | 0 | 0 | 110.6 | I47 S48 N781 A782 F783 G788 F789 | I47-T785 HydrophobicContact CG2-CG2 4.22Å; S48-T785 WeakPolarHBondContact OG-CB 3.39Å; S48-T785 PolarHBondContact OG-OG1 2.89Å; N781-T785 WeakPolarHBondContact O-CB 3.48Å; N781-T785 PolarHBondContact O-N 3.45Å; N781-T785 VanDerWaalsContact O-N 3.15Å; N781-T785 PolarHBondContact O-OG1 3.4Å; A782-T785 PolarHBondContact O-N 3.47Å; F783-T785 VanDerWaalsContact C-N 3.26Å; F783-T785 PolarHBondContact O-N 3.42Å; T785-G788 PolarHBondContact O-N 2.78Å; T785-F789 HydrophobicContact CG2-CD2 3.86Å; T785-F789 HydrophobicContact CG2-CE2 3.68Å; T785-F789 VanDerWaalsContact O-CD2 3.25Å; T785-F789 WeakPolarHBondContact O-CD2 3.13Å; T785-F789 PolarHBondContact O-N 3.1Å |
| 786 | G | 94.9 | Very high | 95.5 | Very high | 7 Ų | 7 | 24.3 Ų | 24.3 | 7% | 0.072 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.6 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A782 F783 T790 | A782-G786 PolarHBondContact O-N 3.2Å; F783-G786 PolarHBondContact O-N 3.38Å; G786-T790 PolarHBondContact O-N 3.08Å; G786-T790 VanDerWaalsContact O-N 3.15Å; G786-T790 PolarHBondContact O-OG1 2.97Å |
| 787 | L | 95.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65 | -39.4 | 174.4 | -173.8 | 61.9 | 0 | 0 | 0 | 111.8 | L433 L486 C490 F783 T790 L791 | L433-L787 HydrophobicContact CD2-CD1 4.37Å; L486-L787 HydrophobicContact CD2-CD1 4.36Å; C490-L787 VanDerWaalsContact SG-CB 3.59Å; C490-L787 VanDerWaalsContact SG-CD2 3.55Å; C490-L787 WeakPolarHBondContact SG-CG 3.31Å; F783-L787 HydrophobicContact CZ-CD2 4.41Å; F783-L787 PolarHBondContact O-N 2.95Å; F783-L787 VanDerWaalsContact O-N 3.12Å; L787-T790 VanDerWaalsContact O-CB 3.32Å; L787-T790 WeakPolarHBondContact O-CB 3.39Å; L787-T790 PolarHBondContact O-N 2.77Å; L787-L791 HydrophobicContact CG-CD1 4.42Å; L787-L791 WeakPolarHBondContact O-CG 3.45Å; L787-L791 PolarHBondContact O-N 2.97Å |
| 788 | G | 94.9 | Very high | 95.6 | Very high | 23 Ų | 23 | 24.1 Ų | 24.1 | 24% | 0.237 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C490 W784 T785 T790 L791 L792 | C490-G788 PolarHBondContact SG-N 2.86Å; W784-G788 PolarHBondContact O-N 2.91Å; T785-G788 PolarHBondContact O-N 2.78Å; G788-T790 VanDerWaalsContact C-N 3.27Å; G788-T790 PolarHBondContact O-N 3.25Å; G788-L791 PolarHBondContact O-N 3.34Å; G788-L792 PolarHBondContact O-N 3.11Å |
| 789 | F | 94.7 | Very high | 95.6 | Very high | 99 Ų | 99 | 27.6 Ų | 27.6 | 43% | 0.434 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -60.2 | -39.1 | 173.9 | -86.9 | -68.7 | 0 | 0 | 0 | 112.2 | I47 A157 T785 L792 L793 | I47-F789 HydrophobicContact CG2-CE2 3.83Å; I47-F789 HydrophobicContact CG2-CZ 4.27Å; A157-F789 HydrophobicContact CB-CB 4.24Å; T785-F789 HydrophobicContact CG2-CD2 3.86Å; T785-F789 HydrophobicContact CG2-CE2 3.68Å; T785-F789 VanDerWaalsContact O-CD2 3.25Å; T785-F789 WeakPolarHBondContact O-CD2 3.13Å; T785-F789 PolarHBondContact O-N 3.1Å; F789-L792 PolarHBondContact O-N 2.81Å; F789-L793 WeakPolarHBondContact O-CG 3.1Å; F789-L793 PolarHBondContact O-N 3.44Å |
| 790 | T | 95.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.6 | -47.9 | 176.5 | -63.3 | 0 | 0 | 0 | 0 | 111.7 | Q154 V158 P436 F440 G786 L787 G788 L793 F794 | Q154-T790 HydrophobicContact CB-CG2 4.48Å; Q154-T790 PolarHBondContact NE2-O 2.84Å; V158-T790 HydrophobicContact CG2-CG2 3.59Å; V158-T790 WeakPolarHBondContact CG2-OG1 3.25Å; P436-T790 HydrophobicContact CB-CG2 4.31Å; F440-T790 HydrophobicContact CE1-CG2 4.43Å; F440-T790 HydrophobicContact CZ-CG2 3.66Å; G786-T790 PolarHBondContact O-N 3.08Å; G786-T790 VanDerWaalsContact O-N 3.15Å; G786-T790 PolarHBondContact O-OG1 2.97Å; L787-T790 VanDerWaalsContact O-CB 3.32Å; L787-T790 WeakPolarHBondContact O-CB 3.39Å; L787-T790 PolarHBondContact O-N 2.77Å; G788-T790 VanDerWaalsContact C-N 3.27Å; G788-T790 PolarHBondContact O-N 3.25Å; T790-L793 PolarHBondContact O-N 3.4Å; T790-F794 HydrophobicContact CG2-CE1 3.87Å; T790-F794 HydrophobicContact CG2-CZ 4.35Å; T790-F794 WeakPolarHBondContact O-CD1 3.41Å; T790-F794 PolarHBondContact O-N 3.31Å |
| 791 | L | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.1 | -39.3 | 179.8 | -68.5 | 172.7 | 0 | 0 | 0 | 112.5 | F104 L486 M487 L787 G788 L793 F794 | F104-L791 HydrophobicContact CE1-CB 4.27Å; F104-L791 HydrophobicContact CE1-CD2 4.3Å; F104-L791 HydrophobicContact CZ-CB 4.04Å; F104-L791 HydrophobicContact CZ-CD2 4.46Å; F104-L791 WeakPolarHBondContact CZ-O 3.27Å; L486-L791 HydrophobicContact CB-CD1 4.05Å; L486-L791 HydrophobicContact CB-CD2 3.7Å; L486-L791 HydrophobicContact CB-CG 4.38Å; L486-L791 HydrophobicContact CD1-CD2 4.04Å; M487-L791 HydrophobicContact CB-CD1 4.12Å; M487-L791 HydrophobicContact CE-CB 4.01Å; M487-L791 HydrophobicContact CE-CD1 3.8Å; M487-L791 HydrophobicContact SD-CD1 4.21Å; L787-L791 HydrophobicContact CG-CD1 4.42Å; L787-L791 WeakPolarHBondContact O-CG 3.45Å; L787-L791 PolarHBondContact O-N 2.97Å; G788-L791 PolarHBondContact O-N 3.34Å; L791-L793 PolarHBondContact O-N 2.96Å; L791-F794 HydrophobicContact CD2-CD2 3.75Å; L791-F794 HydrophobicContact CD2-CE2 3.46Å; L791-F794 VanDerWaalsContact CD2-CE2 3.46Å; L791-F794 HydrophobicContact CD2-CZ 4.08Å; L791-F794 VanDerWaalsContact O-CB 3.31Å; L791-F794 WeakPolarHBondContact O-CB 3.42Å; L791-F794 PolarHBondContact O-N 3.04Å |
| 792 | L | 94.3 | Very high | 95.3 | Very high | 113 Ų | 113 | 29.7 Ų | 29.7 | 59% | 0.592 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -59.5 | -38.4 | 176.1 | -173.9 | 145 | 0 | 0 | 0 | 111.3 | G788 F789 F794 | G788-L792 PolarHBondContact O-N 3.11Å; F789-L792 PolarHBondContact O-N 2.81Å; L792-F794 VanDerWaalsContact C-N 3.31Å; L792-F794 PolarHBondContact O-N 3.31Å |
| 793 | L | 96.5 | Very high | 95.1 | Very high | 41 Ų | 41 | 34.6 Ų | 34.6 | 22% | 0.215 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -7.9 | 177.3 | -69.5 | 178.9 | 0 | 0 | 0 | 114.2 | I150 F153 Q154 F789 T790 L791 I795 P796 A797 | I150-L793 HydrophobicContact CG2-CB 4.11Å; F153-L793 HydrophobicContact CB-CD1 4.05Å; Q154-L793 HydrophobicContact CG-CB 3.47Å; Q154-L793 VanDerWaalsContact CG-CB 3.47Å; Q154-L793 HydrophobicContact CG-CD1 3.71Å; Q154-L793 HydrophobicContact CG-CG 4.25Å; Q154-L793 VanDerWaalsContact NE2-CB 3.31Å; Q154-L793 PolarHBondContact NE2-O 3.44Å; F789-L793 WeakPolarHBondContact O-CG 3.1Å; F789-L793 PolarHBondContact O-N 3.44Å; T790-L793 PolarHBondContact O-N 3.4Å; L791-L793 PolarHBondContact O-N 2.96Å; L793-I795 VanDerWaalsContact C-N 3.29Å; L793-I795 PolarHBondContact O-N 3.15Å; L793-P796 HydrophobicContact CD2-CG 4.2Å; L793-P796 VanDerWaalsContact O-CD 3.31Å; L793-P796 WeakPolarHBondContact O-CD 3.35Å; L793-P796 WeakPolarHBondContact O-CG 3.48Å; L793-A797 VanDerWaalsContact O-CB 3.24Å; L793-A797 WeakPolarHBondContact O-CB 3.28Å; L793-A797 PolarHBondContact O-N 3.05Å; L793-A797 VanDerWaalsContact O-N 3.13Å |
| 794 | F | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.8 | -38.8 | 171.8 | -77.3 | -3.8 | 0 | 0 | 0 | 111.6 | M108 Q154 I439 F440 M479 L486 T790 L791 L792 A797 I798 | M108-F794 HydrophobicContact CE-CB 4.02Å; M108-F794 HydrophobicContact CE-CD2 4.33Å; Q154-F794 VanDerWaalsContact NE2-CD1 3.26Å; I439-F794 HydrophobicContact CD1-CZ 4.06Å; F440-F794 HydrophobicContact CE1-CE1 4.24Å; M479-F794 HydrophobicContact CB-CD2 4.13Å; M479-F794 HydrophobicContact CB-CE2 4.36Å; M479-F794 HydrophobicContact CB-CG 4.4Å; M479-F794 HydrophobicContact CG-CD1 4.05Å; M479-F794 HydrophobicContact CG-CD2 4.13Å; M479-F794 HydrophobicContact CG-CE1 4.17Å; M479-F794 HydrophobicContact CG-CE2 4.19Å; M479-F794 HydrophobicContact CG-CG 4.08Å; M479-F794 HydrophobicContact CG-CZ 4.24Å; M479-F794 HydrophobicContact SD-CB 4.12Å; M479-F794 HydrophobicContact SD-CD1 3.72Å; M479-F794 HydrophobicContact SD-CE1 4.28Å; M479-F794 HydrophobicContact SD-CG 3.91Å; L486-F794 HydrophobicContact CD1-CE2 4.15Å; L486-F794 HydrophobicContact CD1-CZ 4.23Å; T790-F794 HydrophobicContact CG2-CE1 3.87Å; T790-F794 HydrophobicContact CG2-CZ 4.35Å; T790-F794 WeakPolarHBondContact O-CD1 3.41Å; T790-F794 PolarHBondContact O-N 3.31Å; L791-F794 HydrophobicContact CD2-CD2 3.75Å; L791-F794 HydrophobicContact CD2-CE2 3.46Å; L791-F794 VanDerWaalsContact CD2-CE2 3.46Å; L791-F794 HydrophobicContact CD2-CZ 4.08Å; L791-F794 VanDerWaalsContact O-CB 3.31Å; L791-F794 WeakPolarHBondContact O-CB 3.42Å; L791-F794 PolarHBondContact O-N 3.04Å; L792-F794 VanDerWaalsContact C-N 3.31Å; L792-F794 PolarHBondContact O-N 3.31Å; F794-A797 PolarHBondContact O-N 3.38Å; F794-I798 HydrophobicContact CB-CD1 4.36Å; F794-I798 WeakPolarHBondContact O-CB 3.45Å; F794-I798 WeakPolarHBondContact O-CD1 3.04Å; F794-I798 WeakPolarHBondContact O-CG1 3.36Å; F794-I798 PolarHBondContact O-N 3.15Å |
| 795 | I | 94.9 | Very high | 94.6 | Very high | 83 Ų | 83 | 33.3 Ų | 33.3 | 43% | 0.426 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.4 | -57.1 | -177.6 | -60.5 | 173.3 | 0 | 0 | 0 | 111.8 | F104 M108 L793 A797 I798 I799 | F104-I795 HydrophobicContact CD2-CD1 4.22Å; F104-I795 HydrophobicContact CE2-CD1 4.08Å; F104-I795 HydrophobicContact CE2-CG1 4.07Å; M108-I795 HydrophobicContact SD-CG1 4.35Å; L793-I795 VanDerWaalsContact C-N 3.29Å; L793-I795 PolarHBondContact O-N 3.15Å; I795-A797 VanDerWaalsContact C-N 3.33Å; I795-A797 PolarHBondContact O-N 2.93Å; I795-I798 PolarHBondContact O-N 3.04Å; I795-I799 HydrophobicContact CG2-CD1 4.29Å; I795-I799 WeakPolarHBondContact O-CG1 3.2Å; I795-I799 PolarHBondContact O-N 2.98Å |
| 796 | P | 96.9 | Very high | 94.2 | Very high | 38 Ų | 38 | 34.5 Ų | 34.5 | 25% | 0.247 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.8 | -35.8 | 177.6 | 27.1 | -35.7 | 0 | 0 | 0 | 112.2 | I150 L793 I798 I799 F800 | I150-P796 HydrophobicContact CD1-CB 3.92Å; I150-P796 HydrophobicContact CD1-CG 4.39Å; L793-P796 HydrophobicContact CD2-CG 4.2Å; L793-P796 VanDerWaalsContact O-CD 3.31Å; L793-P796 WeakPolarHBondContact O-CD 3.35Å; L793-P796 WeakPolarHBondContact O-CG 3.48Å; P796-I798 PolarHBondContact O-N 3.46Å; P796-I799 PolarHBondContact O-N 3.03Å; P796-F800 WeakPolarHBondContact O-CD2 3.46Å; P796-F800 PolarHBondContact O-N 2.95Å |
| 797 | A | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.6 | -45.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L147 I150 M479 L793 F794 I795 I799 F800 A801 | L147-A797 HydrophobicContact CD1-CB 4.19Å; I150-A797 HydrophobicContact CG2-CB 3.85Å; M479-A797 HydrophobicContact CE-CB 4.5Å; M479-A797 HydrophobicContact SD-CB 4.28Å; L793-A797 VanDerWaalsContact O-CB 3.24Å; L793-A797 WeakPolarHBondContact O-CB 3.28Å; L793-A797 PolarHBondContact O-N 3.05Å; L793-A797 VanDerWaalsContact O-N 3.13Å; F794-A797 PolarHBondContact O-N 3.38Å; I795-A797 VanDerWaalsContact C-N 3.33Å; I795-A797 PolarHBondContact O-N 2.93Å; A797-I799 PolarHBondContact O-N 2.73Å; A797-F800 PolarHBondContact O-N 3.39Å; A797-A801 WeakPolarHBondContact O-CB 3.33Å; A797-A801 PolarHBondContact O-N 3.22Å |
| 798 | I | 95.4 | Very high | 93.5 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 9% | 0.092 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.9 | -46.9 | 176.4 | -71.9 | 161.5 | 0 | 0 | 0 | 110.6 | M108 V476 M479 F480 F794 I795 P796 F800 A801 V802 | M108-I798 HydrophobicContact CE-CD1 3.64Å; M108-I798 HydrophobicContact SD-CD1 4.41Å; V476-I798 HydrophobicContact CG1-CG1 4.36Å; V476-I798 HydrophobicContact CG1-CG2 3.98Å; V476-I798 HydrophobicContact CG2-CG1 4.45Å; M479-I798 HydrophobicContact CB-CD1 4.16Å; M479-I798 HydrophobicContact CB-CG1 4.28Å; M479-I798 HydrophobicContact CE-CG1 3.58Å; M479-I798 HydrophobicContact SD-CD1 4.45Å; M479-I798 HydrophobicContact SD-CG1 3.86Å; F480-I798 HydrophobicContact CD1-CD1 4.2Å; F480-I798 HydrophobicContact CE1-CD1 3.74Å; F480-I798 HydrophobicContact CE2-CG2 4.24Å; F480-I798 HydrophobicContact CZ-CD1 3.96Å; F480-I798 HydrophobicContact CZ-CG2 3.8Å; F794-I798 HydrophobicContact CB-CD1 4.36Å; F794-I798 WeakPolarHBondContact O-CB 3.45Å; F794-I798 WeakPolarHBondContact O-CD1 3.04Å; F794-I798 WeakPolarHBondContact O-CG1 3.36Å; F794-I798 PolarHBondContact O-N 3.15Å; I795-I798 PolarHBondContact O-N 3.04Å; P796-I798 PolarHBondContact O-N 3.46Å; I798-F800 PolarHBondContact O-N 3.36Å; I798-A801 PolarHBondContact O-N 3.14Å; I798-V802 HydrophobicContact CG2-CG2 4.29Å; I798-V802 WeakPolarHBondContact O-CB 3.49Å; I798-V802 VanDerWaalsContact O-CG2 3.24Å; I798-V802 WeakPolarHBondContact O-CG2 3.18Å; I798-V802 PolarHBondContact O-N 2.86Å |
| 799 | I | 94 | Very high | 93 | Very high | 82 Ų | 82 | 36.7 Ų | 36.7 | 42% | 0.421 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.7 | -49.1 | -178.5 | -65.6 | 166.5 | 0 | 0 | 0 | 110.8 | I795 P796 A797 K803 | I795-I799 HydrophobicContact CG2-CD1 4.29Å; I795-I799 WeakPolarHBondContact O-CG1 3.2Å; I795-I799 PolarHBondContact O-N 2.98Å; P796-I799 PolarHBondContact O-N 3.03Å; A797-I799 PolarHBondContact O-N 2.73Å; I799-K803 HydrophobicContact CG2-CD 4.27Å; I799-K803 WeakPolarHBondContact O-CB 3.45Å; I799-K803 WeakPolarHBondContact O-CG 3.4Å; I799-K803 PolarHBondContact O-N 3.39Å; I799-K803 VanDerWaalsContact O-N 3.09Å |
| 800 | F | 95.9 | Very high | 92.6 | Very high | 47 Ų | 47 | 32.4 Ų | 32.4 | 21% | 0.206 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.3 | -40.7 | -179.9 | -72.4 | -65.3 | 0 | 0 | 0 | 111.9 | Y143 C146 L147 I150 P796 A797 I798 V802 K803 L804 | Y143-F800 AromaticContact CD1-CD1 3.62Å; Y143-F800 HydrophobicContact CD1-CD1 3.62Å; Y143-F800 AromaticContact CD1-CE1 3.67Å; Y143-F800 HydrophobicContact CD1-CE1 3.67Å; Y143-F800 HydrophobicContact CE1-CD1 4.32Å; Y143-F800 HydrophobicContact CE1-CE1 4.1Å; Y143-F800 HydrophobicContact CG-CD1 4.02Å; C146-F800 HydrophobicContact CB-CD1 4.05Å; C146-F800 HydrophobicContact CB-CD2 4.09Å; C146-F800 HydrophobicContact CB-CE1 3.89Å; C146-F800 HydrophobicContact CB-CE2 3.93Å; C146-F800 HydrophobicContact CB-CG 4.15Å; C146-F800 HydrophobicContact CB-CZ 3.83Å; L147-F800 HydrophobicContact CB-CB 4.18Å; L147-F800 HydrophobicContact CD1-CB 4.28Å; I150-F800 HydrophobicContact CD1-CD2 3.51Å; I150-F800 HydrophobicContact CD1-CE2 3.76Å; P796-F800 WeakPolarHBondContact O-CD2 3.46Å; P796-F800 PolarHBondContact O-N 2.95Å; A797-F800 PolarHBondContact O-N 3.39Å; I798-F800 PolarHBondContact O-N 3.36Å; F800-V802 PolarHBondContact O-N 3.43Å; F800-K803 PolarHBondContact O-N 2.86Å; F800-L804 WeakPolarHBondContact O-CB 3.37Å; F800-L804 PolarHBondContact O-N 3.38Å |
| 801 | A | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.9 | -45.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L147 L443 L472 V476 A797 I798 L804 A805 | L147-A801 HydrophobicContact CD1-CB 4.37Å; L147-A801 HydrophobicContact CD2-CB 4.06Å; L443-A801 HydrophobicContact CD2-CB 4.3Å; L472-A801 HydrophobicContact CB-CB 4.45Å; V476-A801 HydrophobicContact CG2-CB 3.63Å; A797-A801 WeakPolarHBondContact O-CB 3.33Å; A797-A801 PolarHBondContact O-N 3.22Å; I798-A801 PolarHBondContact O-N 3.14Å; A801-L804 PolarHBondContact O-N 3.34Å; A801-A805 VanDerWaalsContact O-CB 3.24Å; A801-A805 WeakPolarHBondContact O-CB 3.37Å; A801-A805 PolarHBondContact O-N 3.45Å |
| 802 | V | 91.9 | Very high | 90.8 | Very high | 31 Ų | 31 | 37.4 Ų | 37.4 | 19% | 0.188 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66 | -45.2 | 178 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | F115 L473 V476 I798 F800 A805 G806 | F115-V802 HydrophobicContact CE1-CG2 4.31Å; F115-V802 HydrophobicContact CE2-CG1 3.78Å; F115-V802 HydrophobicContact CE2-CG2 3.92Å; F115-V802 HydrophobicContact CZ-CB 4.38Å; F115-V802 HydrophobicContact CZ-CG1 3.85Å; F115-V802 HydrophobicContact CZ-CG2 3.51Å; L473-V802 HydrophobicContact CD2-CG2 4.3Å; V476-V802 HydrophobicContact CG1-CG2 4.08Å; V476-V802 HydrophobicContact CG2-CG2 4.08Å; I798-V802 HydrophobicContact CG2-CG2 4.29Å; I798-V802 WeakPolarHBondContact O-CB 3.49Å; I798-V802 VanDerWaalsContact O-CG2 3.24Å; I798-V802 WeakPolarHBondContact O-CG2 3.18Å; I798-V802 PolarHBondContact O-N 2.86Å; F800-V802 PolarHBondContact O-N 3.43Å; V802-A805 PolarHBondContact O-N 2.91Å; V802-G806 PolarHBondContact O-N 3.18Å |
| 803 | K | 90.6 | Very high | 89.9 | Confident | 106 Ų | 106 | 39 Ų | 39 | 46% | 0.461 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 177.6 | -75.7 | -176.8 | 177.5 | -179.8 | 0 | 111.7 | Y143 I799 F800 G806 L807 | Y143-K803 HydrophobicContact CD2-CB 3.83Å; Y143-K803 HydrophobicContact CE2-CB 3.77Å; Y143-K803 HydrophobicContact CE2-CD 3.94Å; Y143-K803 HydrophobicContact CE2-CG 4.41Å; I799-K803 HydrophobicContact CG2-CD 4.27Å; I799-K803 WeakPolarHBondContact O-CB 3.45Å; I799-K803 WeakPolarHBondContact O-CG 3.4Å; I799-K803 PolarHBondContact O-N 3.39Å; I799-K803 VanDerWaalsContact O-N 3.09Å; F800-K803 PolarHBondContact O-N 2.86Å; K803-G806 PolarHBondContact O-N 2.88Å; K803-L807 PolarHBondContact O-N 2.86Å |
| 804 | L | 91.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.6 | -40.5 | 179.7 | -173.3 | 58.7 | 0 | 0 | 0 | 111.6 | R140 L147 L447 L472 F800 A801 G806 L807 Y808 | R140-L804 HydrophobicContact CG-CD1 3.91Å; L147-L804 HydrophobicContact CD2-CD2 4.01Å; L447-L804 HydrophobicContact CD2-CD2 3.93Å; L472-L804 HydrophobicContact CD1-CB 4.09Å; L472-L804 HydrophobicContact CD1-CD2 3.93Å; L472-L804 HydrophobicContact CD1-CG 3.94Å; F800-L804 WeakPolarHBondContact O-CB 3.37Å; F800-L804 PolarHBondContact O-N 3.38Å; A801-L804 PolarHBondContact O-N 3.34Å; L804-G806 VanDerWaalsContact C-N 3.25Å; L804-G806 PolarHBondContact O-N 3.06Å; L804-L807 WeakPolarHBondContact O-CB 3.47Å; L804-L807 PolarHBondContact O-N 3.42Å; L804-Y808 HydrophobicContact CD1-CD1 4.21Å; L804-Y808 HydrophobicContact CD1-CE1 3.65Å; L804-Y808 HydrophobicContact CD1-CE2 4.11Å; L804-Y808 HydrophobicContact CD2-CE2 3.87Å; L804-Y808 HydrophobicContact CG-CD2 4.12Å; L804-Y808 HydrophobicContact CG-CE1 4.07Å; L804-Y808 HydrophobicContact CG-CE2 3.58Å; L804-Y808 PolarHBondContact O-N 3.3Å |
| 805 | A | 90.1 | Very high | 87.4 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 2% | 0.017 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.1 | -38 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A469 L472 L473 A801 V802 L807 Y808 R809 | A469-A805 HydrophobicContact CB-CB 4.03Å; A469-A805 WeakPolarHBondContact CB-O 3.49Å; L472-A805 HydrophobicContact CB-CB 4.32Å; L473-A805 HydrophobicContact CD1-CB 4.12Å; L473-A805 HydrophobicContact CD2-CB 4.09Å; L473-A805 HydrophobicContact CG-CB 3.78Å; A801-A805 VanDerWaalsContact O-CB 3.24Å; A801-A805 WeakPolarHBondContact O-CB 3.37Å; A801-A805 PolarHBondContact O-N 3.45Å; V802-A805 PolarHBondContact O-N 2.91Å; A805-L807 PolarHBondContact O-N 2.87Å; A805-Y808 PolarHBondContact O-N 3.14Å; A805-R809 WeakPolarHBondContact O-CG 3.08Å; A805-R809 PolarHBondContact O-N 2.98Å |
| 806 | G | 85.8 | Confident | 85.9 | Confident | 35 Ų | 35 | 47.7 Ų | 47.7 | 36% | 0.361 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.4 | -40.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V802 K803 L804 | V802-G806 PolarHBondContact O-N 3.18Å; K803-G806 PolarHBondContact O-N 2.88Å; L804-G806 VanDerWaalsContact C-N 3.25Å; L804-G806 PolarHBondContact O-N 3.06Å |
| 807 | L | 87.7 | Confident | 84.3 | Confident | 11 Ų | 11 | 49.8 Ų | 49.8 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -74.2 | -28.4 | 178.3 | -66 | 171.7 | 0 | 0 | 0 | 113.3 | D136 K139 R140 Y143 K803 L804 A805 | D136-L807 HydrophobicContact CB-CD2 3.84Å; K139-L807 HydrophobicContact CB-CD1 3.9Å; R140-L807 HydrophobicContact CB-CD1 4.07Å; R140-L807 PolarHBondContact NE-O 3.2Å; R140-L807 PolarHBondContact NH2-O 3.4Å; Y143-L807 HydrophobicContact CD2-CD1 3.7Å; Y143-L807 HydrophobicContact CE2-CD1 4.05Å; K803-L807 PolarHBondContact O-N 2.86Å; L804-L807 WeakPolarHBondContact O-CB 3.47Å; L804-L807 PolarHBondContact O-N 3.42Å; A805-L807 PolarHBondContact O-N 2.87Å |
| 808 | Y | 88.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -77.3 | -23.4 | 178 | -75.3 | -15.3 | 0 | 0 | 0 | 113.4 | R140 T144 G450 T451 R465 L472 L804 A805 K810 | R140-Y808 HydrophobicContact CG-CD1 4.11Å; R140-Y808 HydrophobicContact CG-CE1 3.66Å; T144-Y808 PolarHBondContact OG1-OH 3.31Å; G450-Y808 VanDerWaalsContact C-CZ 3.43Å; G450-Y808 VanDerWaalsContact CA-CZ 3.44Å; G450-Y808 WeakPolarHBondContact O-CE1 3.48Å; T451-Y808 WeakPolarHBondContact CG2-OH 3.37Å; R465-Y808 HydrophobicContact CB-CG 4.45Å; R465-Y808 VanDerWaalsContact CB-O 3.24Å; R465-Y808 WeakPolarHBondContact CB-O 3.47Å; R465-Y808 WeakPolarHBondContact O-CB 3.41Å; L472-Y808 HydrophobicContact CD1-CD2 3.88Å; L472-Y808 HydrophobicContact CD1-CE2 3.7Å; L804-Y808 HydrophobicContact CD1-CD1 4.21Å; L804-Y808 HydrophobicContact CD1-CE1 3.65Å; L804-Y808 HydrophobicContact CD1-CE2 4.11Å; L804-Y808 HydrophobicContact CD2-CE2 3.87Å; L804-Y808 HydrophobicContact CG-CD2 4.12Å; L804-Y808 HydrophobicContact CG-CE1 4.07Å; L804-Y808 HydrophobicContact CG-CE2 3.58Å; L804-Y808 PolarHBondContact O-N 3.3Å; A805-Y808 PolarHBondContact O-N 3.14Å; Y808-K810 VanDerWaalsContact C-N 3.31Å; Y808-K810 PolarHBondContact O-N 3.17Å |
| 809 | R | 85.6 | Confident | 80.7 | Confident | 64 Ų | 64 | 57.6 Ų | 57.6 | 24% | 0.242 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -8.2 | 176.4 | -74.3 | 178.9 | 137.2 | -148.2 | -3.3 | 114.7 | R119 V128 A469 A805 | R119-R809 VanDerWaalsContact NH2-NH1 3.11Å; V128-R809 HydrophobicContact CG1-CB 3.79Å; V128-R809 WeakPolarHBondContact CG1-O 3.35Å; A469-R809 HydrophobicContact CB-CG 3.73Å; A805-R809 WeakPolarHBondContact O-CG 3.08Å; A805-R809 PolarHBondContact O-N 2.98Å |
| 810 | K | 85.1 | Confident | 79.1 | Confident | 9 Ų | 9 | 59 Ų | 59 | 4% | 0.039 | 28% | 0.277 | C | S | . | . | trans | -72 | 127.4 | -179.5 | -57.3 | -162.1 | 160.7 | -154.7 | 0 | 111 | Q129 V131 D132 D136 Y808 | Q129-K810 WeakPolarHBondContact O-CG 3.49Å; Q129-K810 VanDerWaalsContact OE1-NZ 3.14Å; V131-K810 PolarHBondContact O-NZ 2.97Å; D132-K810 WeakPolarHBondContact OD1-CD 2.91Å; D136-K810 WeakPolarHBondContact OD2-CE 3.5Å; D136-K810 IonicContact OD2-NZ 2.64Å; D136-K810 PolarHBondContact OD2-NZ 3Å; Y808-K810 VanDerWaalsContact C-N 3.31Å; Y808-K810 PolarHBondContact O-N 3.17Å | ||
| 811 | T | 78.2 | Confident | 77.2 | Confident | 41 Ų | 41 | 61.5 Ų | 61.5 | 25% | 0.252 | 30% | 0.298 | S | S | . | . | trans | -89.7 | -31 | -172.5 | 56.3 | 0 | 0 | 0 | 0 | 112.5 | F130 R455 P456 | F130-T811 HydrophobicContact CD1-CG2 4.36Å; F130-T811 PolarHBondContact O-N 3.01Å; F130-T811 PolarHBondContact O-OG1 3.38Å; R455-T811 WeakPolarHBondContact CD-O 3.3Å; P456-T811 HydrophobicContact CG-CG2 4.21Å; P456-T811 WeakPolarHBondContact O-CG2 3.49Å | ||
| 812 | E | 76.2 | Confident | 75.4 | Confident | 64 Ų | 64 | 67.4 Ų | 67.4 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -116.2 | 145.8 | -170.8 | -69.9 | 174 | -171.6 | 0 | 0 | 112.9 | F130 V131 D132 Y818 | F130-E812 PolarHBondContact O-N 3.46Å; V131-E812 HydrophobicContact CG2-CB 4.38Å; D132-E812 PolarHBondContact N-O 2.93Å; E812-Y818 PolarHBondContact OE2-OH 3.41Å; E812-Y818 VanDerWaalsContact OE2-OH 3.13Å |
| 813 | K | 74.3 | Confident | 73.7 | Confident | 147 Ų | 147 | 69.1 Ų | 69.1 | 64% | 0.639 | 33% | 0.333 | S | S | * | . | trans | -73.2 | 149.3 | 173 | -75.6 | 176.9 | -179.2 | 175.9 | 0 | 109.7 | S815 | K813-S815 PolarHBondContact O-N 3.43Å; K813-S815 VanDerWaalsContact O-N 3.14Å | ||
| 814 | Y | 73 | Confident | 72 | Confident | 77 Ų | 77 | 69.1 Ų | 69.1 | 30% | 0.302 | 34% | 0.337 | S | S | . | . | trans | -55.8 | 119.2 | 164.2 | 175.8 | -98.4 | 0 | 0 | 0 | 109.1 | D132 K134 E819 | D132-Y814 WeakPolarHBondContact O-CA 3.23Å; D132-Y814 VanDerWaalsContact O-CB 3.27Å; D132-Y814 WeakPolarHBondContact O-CB 3.3Å; K134-Y814 HydrophobicContact CB-CD2 4.41Å; K134-Y814 HydrophobicContact CB-CE2 4.11Å; Y814-E819 PolarHBondContact OH-OE1 2.89Å | ||
| 815 | S | 67.6 | Low | 70.3 | Confident | 37 Ų | 37 | 72.1 Ų | 72.1 | 26% | 0.259 | 36% | 0.358 | S | S | . | . | trans | -108.4 | 154.7 | 159.3 | -167.7 | 0 | 0 | 0 | 0 | 109 | K813 D817 Y818 | K813-S815 PolarHBondContact O-N 3.43Å; K813-S815 VanDerWaalsContact O-N 3.14Å; S815-D817 PolarHBondContact O-N 3.46Å; S815-D817 VanDerWaalsContact OG-CG 3.25Å; S815-D817 PolarHBondContact OG-OD2 2.89Å; S815-Y818 VanDerWaalsContact CB-CD2 3.46Å; S815-Y818 VanDerWaalsContact N-CD2 3.33Å; S815-Y818 WeakPolarHBondContact O-CD2 3.35Å | ||
| 816 | R | 63 | Low | 68.6 | Low | 193 Ų | 193 | 78.8 Ų | 78.8 | 73% | 0.728 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -70.5 | -26.1 | 173.8 | -159.1 | 175.2 | 175.8 | 175.2 | -5.1 | 111.3 | Y818 E819 | R816-Y818 PolarHBondContact O-N 3.46Å; R816-E819 PolarHBondContact O-N 3.03Å |
| 817 | D | 63.8 | Low | 66.9 | Low | 81 Ų | 81 | 79.7 Ų | 79.7 | 43% | 0.433 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -60.2 | -27 | -179.5 | -39.1 | -36.4 | 0 | 0 | 0 | 112.7 | S815 E819 E820 Y823 | S815-D817 PolarHBondContact O-N 3.46Å; S815-D817 VanDerWaalsContact OG-CG 3.25Å; S815-D817 PolarHBondContact OG-OD2 2.89Å; D817-E819 PolarHBondContact O-N 3.23Å; D817-E820 WeakPolarHBondContact O-CB 3.39Å; D817-E820 PolarHBondContact O-N 3.15Å; D817-E820 VanDerWaalsContact O-N 3.07Å; D817-Y823 WeakPolarHBondContact O-CB 3.33Å |
| 818 | Y | 58.2 | Low | 65.4 | Low | 58 Ų | 58 | 81.4 Ų | 81.4 | 23% | 0.227 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -67.8 | -16.1 | 177.7 | -63.7 | -82.3 | 0 | 0 | 0 | 113.6 | V131 E812 S815 R816 Y823 | V131-Y818 HydrophobicContact CG1-CD1 4.1Å; V131-Y818 HydrophobicContact CG1-CD2 3.78Å; V131-Y818 HydrophobicContact CG1-CE1 4.11Å; V131-Y818 HydrophobicContact CG1-CE2 3.81Å; V131-Y818 HydrophobicContact CG1-CG 4Å; V131-Y818 HydrophobicContact CG2-CD1 3.96Å; V131-Y818 HydrophobicContact CG2-CE1 3.71Å; E812-Y818 PolarHBondContact OE2-OH 3.41Å; E812-Y818 VanDerWaalsContact OE2-OH 3.13Å; S815-Y818 VanDerWaalsContact CB-CD2 3.46Å; S815-Y818 VanDerWaalsContact N-CD2 3.33Å; S815-Y818 WeakPolarHBondContact O-CD2 3.35Å; R816-Y818 PolarHBondContact O-N 3.46Å; Y818-Y823 AromaticContact CD1-CD1 3.51Å; Y818-Y823 HydrophobicContact CD1-CD1 3.51Å; Y818-Y823 AromaticContact CD1-CE1 2.98Å; Y818-Y823 HydrophobicContact CD1-CE1 2.98Å; Y818-Y823 HydrophobicContact CD1-CE2 4.4Å; Y818-Y823 HydrophobicContact CD1-CG 4.41Å; Y818-Y823 AromaticContact CD1-CZ 3.52Å; Y818-Y823 HydrophobicContact CE1-CD1 4.11Å; Y818-Y823 AromaticContact CE1-CE1 3.14Å; Y818-Y823 HydrophobicContact CE1-CE1 3.14Å; Y818-Y823 HydrophobicContact CE1-CE2 4.21Å; Y818-Y823 AromaticContact CE1-CZ 3.2Å; Y818-Y823 WeakPolarHBondContact CE1-OH 3.06Å; Y818-Y823 HydrophobicContact CG-CD1 4.26Å; Y818-Y823 HydrophobicContact CG-CE1 4.06Å; Y818-Y823 AromaticContact CZ-CZ 3.99Å |
| 819 | E | 59.1 | Low | 63.5 | Low | 125 Ų | 125 | 89.5 Ų | 89.5 | 58% | 0.584 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -88.2 | -8.3 | 174.3 | -65.4 | -177.1 | 166.7 | 0 | 0 | 112.3 | Y814 R816 D817 | Y814-E819 PolarHBondContact OH-OE1 2.89Å; R816-E819 PolarHBondContact O-N 3.03Å; D817-E819 PolarHBondContact O-N 3.23Å |
| 820 | E | 58.8 | Low | 61.8 | Low | 110 Ų | 110 | 94.5 Ų | 94.5 | 51% | 0.514 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -78.2 | 136.7 | 178.8 | -66.7 | 179 | 167.4 | 0 | 0 | 111.1 | D817 D822 Y823 I824 | D817-E820 WeakPolarHBondContact O-CB 3.39Å; D817-E820 PolarHBondContact O-N 3.15Å; D817-E820 VanDerWaalsContact O-N 3.07Å; E820-D822 VanDerWaalsContact O-N 3.15Å; E820-D822 PolarHBondContact O-N 2.96Å; E820-Y823 PolarHBondContact O-N 3.18Å; E820-I824 PolarHBondContact O-N 3.45Å |
| 821 | P | 56.4 | Low | 59.9 | Low | 100 Ų | 100 | 98.7 Ų | 98.7 | 65% | 0.649 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -57.7 | -31.9 | -176.3 | 19.8 | -30.5 | 0 | 0 | 0 | 113.2 | I824 S825 | P821-I824 PolarHBondContact O-N 3.4Å; P821-S825 PolarHBondContact O-N 2.86Å |
| 822 | D | 57.8 | Low | 57.9 | Low | 125 Ų | 125 | 106.5 Ų | 106.5 | 67% | 0.668 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.8 | -38.9 | 178.6 | -71.1 | -10.6 | 0 | 0 | 0 | 111.8 | E820 S825 Y826 | E820-D822 VanDerWaalsContact O-N 3.15Å; E820-D822 PolarHBondContact O-N 2.96Å; D822-S825 PolarHBondContact O-N 3.3Å; D822-S825 PolarHBondContact O-OG 3.42Å; D822-Y826 PolarHBondContact O-N 3.12Å |
| 823 | Y | 55 | Low | 56.3 | Low | 67 Ų | 67 | 108.3 Ų | 108.3 | 26% | 0.263 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 176.8 | -159.8 | -81.6 | 0 | 0 | 0 | 111.7 | D817 Y818 E820 S825 Y826 H827 | D817-Y823 WeakPolarHBondContact O-CB 3.33Å; Y818-Y823 AromaticContact CD1-CD1 3.51Å; Y818-Y823 HydrophobicContact CD1-CD1 3.51Å; Y818-Y823 AromaticContact CD1-CE1 2.98Å; Y818-Y823 HydrophobicContact CD1-CE1 2.98Å; Y818-Y823 HydrophobicContact CD1-CE2 4.4Å; Y818-Y823 HydrophobicContact CD1-CG 4.41Å; Y818-Y823 AromaticContact CD1-CZ 3.52Å; Y818-Y823 HydrophobicContact CE1-CD1 4.11Å; Y818-Y823 AromaticContact CE1-CE1 3.14Å; Y818-Y823 HydrophobicContact CE1-CE1 3.14Å; Y818-Y823 HydrophobicContact CE1-CE2 4.21Å; Y818-Y823 AromaticContact CE1-CZ 3.2Å; Y818-Y823 WeakPolarHBondContact CE1-OH 3.06Å; Y818-Y823 HydrophobicContact CG-CD1 4.26Å; Y818-Y823 HydrophobicContact CG-CE1 4.06Å; Y818-Y823 AromaticContact CZ-CZ 3.99Å; E820-Y823 PolarHBondContact O-N 3.18Å; Y823-S825 VanDerWaalsContact C-N 3.27Å; Y823-S825 PolarHBondContact O-N 2.86Å; Y823-Y826 PolarHBondContact O-N 2.92Å; Y823-H827 AromaticContact CZ-NE2 3.28Å; Y823-H827 PolarHBondContact OH-NE2 3.44Å; Y823-H827 VanDerWaalsContact O-N 3.07Å; Y823-H827 PolarHBondContact O-N 3.25Å; Y823-H827 VanDerWaalsContact CZ-NE2 3.28Å; Y823-H827 VanDerWaalsContact CZ-CD2 3.43Å; Y823-H827 WeakPolarHBondContact CE1-NE2 3.07Å; Y823-H827 AromaticContact CD1-CD2 3.65Å; Y823-H827 VanDerWaalsContact CE1-NE2 3.28Å; Y823-H827 AromaticContact CE1-NE2 3.28Å; Y823-H827 WeakPolarHBondContact CE1-CD2 3.46Å; Y823-H827 AromaticContact CE1-CD2 2.98Å; Y823-H827 AromaticContact CZ-CD2 3.43Å |
| 824 | I | 56.2 | Low | 54.7 | Low | 106 Ų | 106 | 106.9 Ų | 106.9 | 54% | 0.544 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60 | -41 | 173.9 | -60.8 | 171.5 | 0 | 0 | 0 | 110.1 | E820 P821 G828 | E820-I824 PolarHBondContact O-N 3.45Å; P821-I824 PolarHBondContact O-N 3.4Å; I824-G828 WeakPolarHBondContact O-CA 3.46Å; I824-G828 PolarHBondContact O-N 3.46Å |
| 825 | S | 55.5 | Low | 53.1 | Low | 62 Ų | 62 | 109.3 Ų | 109.3 | 43% | 0.434 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 177.3 | 85 | 0 | 0 | 0 | 0 | 111.7 | P821 D822 Y823 G828 F829 | P821-S825 PolarHBondContact O-N 2.86Å; D822-S825 PolarHBondContact O-N 3.3Å; D822-S825 PolarHBondContact O-OG 3.42Å; Y823-S825 VanDerWaalsContact C-N 3.27Å; Y823-S825 PolarHBondContact O-N 2.86Å; S825-G828 PolarHBondContact O-N 2.67Å; S825-F829 PolarHBondContact O-N 3.42Å; S825-F829 VanDerWaalsContact O-N 3.13Å; S825-F829 WeakPolarHBondContact O-CD2 3.48Å |
| 826 | Y | 54.9 | Low | 51.8 | Low | 142 Ų | 142 | 115 Ų | 115 | 56% | 0.557 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.5 | -49.2 | -177.6 | -165.1 | -92.8 | 0 | 0 | 0 | 111.2 | D822 Y823 F829 Y830 | D822-Y826 PolarHBondContact O-N 3.12Å; Y823-Y826 PolarHBondContact O-N 2.92Å; Y826-F829 PolarHBondContact O-N 2.93Å; Y826-Y830 VanDerWaalsContact O-N 3.13Å; Y826-Y830 PolarHBondContact O-N 2.02Å; Y826-Y830 WeakPolarHBondContact O-CD2 3.36Å; Y826-Y830 AromaticContact CZ-CE2 3.78Å; Y826-Y830 AromaticContact CZ-CD2 3.89Å; Y826-Y830 HydrophobicContact CG-CE2 4.39Å; Y826-Y830 HydrophobicContact CG-CD2 4.19Å; Y826-Y830 HydrophobicContact CE2-CE2 3.66Å; Y826-Y830 AromaticContact CE2-CE2 3.66Å; Y826-Y830 HydrophobicContact CE1-CE2 4.21Å; Y826-Y830 HydrophobicContact CE2-CD2 4.1Å; Y826-Y830 AromaticContact CD1-CD2 3.99Å; Y826-Y830 HydrophobicContact CD1-CD2 3.99Å; Y826-Y830 HydrophobicContact CD2-CD2 4.24Å; Y826-Y830 HydrophobicContact CD2-CE2 3.98Å; Y826-Y830 AromaticContact CE1-CD2 3.83Å; Y826-Y830 HydrophobicContact CE1-CD2 3.83Å; Y826-Y830 AromaticContact CD2-CE2 3.98Å |
| 827 | H | 50.4 | Low | 50.6 | Low | 54 Ų | 54 | 115.8 Ų | 115.8 | 25% | 0.25 | 58% | 0.578 | C | S | . | * | H | α-helix | trans | -73.2 | -30.5 | 177.3 | -86 | -85 | 0 | 0 | 0 | 113.9 | Y823 F829 Y830 M831 | Y823-H827 AromaticContact CZ-NE2 3.28Å; Y823-H827 PolarHBondContact OH-NE2 3.44Å; Y823-H827 VanDerWaalsContact O-N 3.07Å; Y823-H827 PolarHBondContact O-N 3.25Å; Y823-H827 VanDerWaalsContact CZ-NE2 3.28Å; Y823-H827 VanDerWaalsContact CZ-CD2 3.43Å; Y823-H827 WeakPolarHBondContact CE1-NE2 3.07Å; Y823-H827 AromaticContact CD1-CD2 3.65Å; Y823-H827 VanDerWaalsContact CE1-NE2 3.28Å; Y823-H827 AromaticContact CE1-NE2 3.28Å; Y823-H827 WeakPolarHBondContact CE1-CD2 3.46Å; Y823-H827 AromaticContact CE1-CD2 2.98Å; Y823-H827 AromaticContact CZ-CD2 3.43Å; H827-F829 PolarHBondContact O-N 3.33Å; H827-Y830 PolarHBondContact O-N 2.76Å; H827-M831 PolarHBondContact O-N 3.3Å; H827-M831 WeakPolarHBondContact O-CB 3.13Å; H827-M831 VanDerWaalsContact ND1-SD 3.39Å; H827-M831 PolarHBondContact ND1-SD 3.24Å |
| 828 | G | 54.9 | Low | 49.2 | Very low | 48 Ų | 48 | 121 Ų | 121 | 50% | 0.495 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -59.4 | -30 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | I824 S825 | I824-G828 WeakPolarHBondContact O-CA 3.46Å; I824-G828 PolarHBondContact O-N 3.46Å; S825-G828 PolarHBondContact O-N 2.67Å |
| 829 | F | 49.9 | Very low | 48.1 | Very low | 169 Ų | 169 | 124.6 Ų | 124.6 | 74% | 0.741 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -84.6 | -46 | 175.9 | -91.7 | -85.7 | 0 | 0 | 0 | 113.4 | S825 Y826 H827 | S825-F829 PolarHBondContact O-N 3.42Å; S825-F829 VanDerWaalsContact O-N 3.13Å; S825-F829 WeakPolarHBondContact O-CD2 3.48Å; Y826-F829 PolarHBondContact O-N 2.93Å; H827-F829 PolarHBondContact O-N 3.33Å |
| 830 | Y | 48.7 | Very low | 47 | Very low | 170 Ų | 170 | 126.6 Ų | 126.6 | 67% | 0.667 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -92.5 | -15.8 | -169.8 | -67.8 | -71.6 | 0 | 0 | 0 | 115.3 | Y826 H827 | Y826-Y830 VanDerWaalsContact O-N 3.13Å; Y826-Y830 PolarHBondContact O-N 2.02Å; Y826-Y830 WeakPolarHBondContact O-CD2 3.36Å; Y826-Y830 AromaticContact CZ-CE2 3.78Å; Y826-Y830 AromaticContact CZ-CD2 3.89Å; Y826-Y830 HydrophobicContact CG-CE2 4.39Å; Y826-Y830 HydrophobicContact CG-CD2 4.19Å; Y826-Y830 HydrophobicContact CE2-CE2 3.66Å; Y826-Y830 AromaticContact CE2-CE2 3.66Å; Y826-Y830 HydrophobicContact CE1-CE2 4.21Å; Y826-Y830 HydrophobicContact CE2-CD2 4.1Å; Y826-Y830 AromaticContact CD1-CD2 3.99Å; Y826-Y830 HydrophobicContact CD1-CD2 3.99Å; Y826-Y830 HydrophobicContact CD2-CD2 4.24Å; Y826-Y830 HydrophobicContact CD2-CE2 3.98Å; Y826-Y830 AromaticContact CE1-CD2 3.83Å; Y826-Y830 HydrophobicContact CE1-CD2 3.83Å; Y826-Y830 AromaticContact CD2-CE2 3.98Å; H827-Y830 PolarHBondContact O-N 2.76Å |
| 831 | M | 45.1 | Very low | 46 | Very low | 96 Ų | 96 | 125 Ų | 125 | 47% | 0.473 | 64% | 0.638 | S | S | . | * | trans | -112.2 | 30.1 | -175.2 | -113.6 | -178.9 | -166.2 | 0 | 0 | 113.9 | F130 H827 P833 | F130-M831 HydrophobicContact CD2-CE 4.42Å; F130-M831 HydrophobicContact CD2-SD 4.26Å; F130-M831 HydrophobicContact CE2-CE 4.45Å; F130-M831 HydrophobicContact CE2-SD 4.36Å; H827-M831 PolarHBondContact O-N 3.3Å; H827-M831 WeakPolarHBondContact O-CB 3.13Å; H827-M831 VanDerWaalsContact ND1-SD 3.39Å; H827-M831 PolarHBondContact ND1-SD 3.24Å; M831-P833 WeakPolarHBondContact O-CD 3.47Å | ||
| 832 | R | 37.7 | Very low | 45 | Very low | 206 Ų | 206 | 129.1 Ų | 129.1 | 78% | 0.777 | 65% | 0.649 | S | S | * | * | trans | -69.1 | 111.6 | 157 | -104.6 | -172.9 | -168.3 | 116.6 | 5.2 | 107.1 | ||||
| 833 | P | 41.6 | Very low | 43.8 | Very low | 102 Ų | 102 | 132.3 Ų | 132.3 | 66% | 0.662 | 66% | 0.657 | S | S | * | * | trans | -59.5 | 141.3 | 167.8 | -10.2 | 26.5 | 0 | 0 | 0 | 106.7 | M831 T835 | M831-P833 WeakPolarHBondContact O-CD 3.47Å; P833-T835 PolarHBondContact O-N 2.95Å | ||
| 834 | P | 40.5 | Very low | 42.9 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 75% | 0.753 | 68% | 0.683 | S | S | * | * | trans | -59.4 | 104.3 | 177.3 | -4.3 | 15.3 | 0 | 0 | 0 | 106.7 | D836 | P834-D836 PolarHBondContact O-N 3.32Å; P834-D836 VanDerWaalsContact O-N 3.16Å | ||
| 835 | T | 40 | Very low | 42 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | trans | -64.1 | 118.9 | 165.1 | 45.5 | 0 | 0 | 0 | 0 | 105.2 | P833 Y837 | P833-T835 PolarHBondContact O-N 2.95Å; T835-Y837 PolarHBondContact O-N 3.04Å | ||
| 836 | D | 39.2 | Very low | 41 | Very low | 156 Ų | 156 | 146.2 Ų | 146.2 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | trans | -39.2 | 129.1 | 177.9 | -80.1 | -45.8 | 0 | 0 | 0 | 110.9 | P834 | P834-D836 PolarHBondContact O-N 3.32Å; P834-D836 VanDerWaalsContact O-N 3.16Å | ||
| 837 | Y | 38.2 | Very low | 40.1 | Very low | 210 Ų | 210 | 148.5 Ų | 148.5 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -49.9 | 143.9 | 175.4 | -75.5 | -104.5 | 0 | 0 | 0 | 110.2 | T835 | T835-Y837 PolarHBondContact O-N 3.04Š|
| 838 | Q | 34.9 | Very low | 39.3 | Very low | 192 Ų | 192 | 151 Ų | 151 | 90% | 0.897 | 76% | 0.758 | S | S | * | * | trans | 91 | 78.1 | 169.1 | -54.2 | 172.5 | -28.1 | 0 | 0 | 117.1 | ||||
| 839 | D | 34.5 | Very low | 38.2 | Very low | 133 Ų | 133 | 159.2 Ų | 159.2 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | -143.4 | 82.8 | 127.1 | -160.5 | -10.6 | 0 | 0 | 0 | 109.2 | S841 | D839-S841 PolarHBondContact OD2-OG 3.36Å; D839-S841 PolarHBondContact OD1-OG 2.95Å; D839-S841 PolarHBondContact OD1-N 2.9Å; D839-S841 PolarHBondContact O-N 3.18Å; D839-S841 VanDerWaalsContact CG-OG 3.29Å; D839-S841 WeakPolarHBondContact OD1-CB 3.43Å | |||
| 840 | N | 36.5 | Very low | 37.5 | Very low | 167 Ų | 167 | 160.5 Ų | 160.5 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | trans | -73 | 63.6 | 164.8 | -86.7 | -18 | 0 | 0 | 0 | 109.1 | ||||
| 841 | S | 37.7 | Very low | 36.7 | Very low | 75 Ų | 75 | 159.9 Ų | 159.9 | 52% | 0.524 | 78% | 0.782 | S | S | . | * | trans | -117.8 | 75.8 | 159.9 | 61.5 | 0 | 0 | 0 | 0 | 108.2 | D839 K843 | D839-S841 PolarHBondContact OD2-OG 3.36Å; D839-S841 PolarHBondContact OD1-OG 2.95Å; D839-S841 PolarHBondContact OD1-N 2.9Å; D839-S841 PolarHBondContact O-N 3.18Å; D839-S841 VanDerWaalsContact CG-OG 3.29Å; D839-S841 WeakPolarHBondContact OD1-CB 3.43Å; S841-K843 PolarHBondContact O-N 2.79Å | ||
| 842 | Q | 35.6 | Very low | 36 | Very low | 187 Ų | 187 | 165.3 Ų | 165.3 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -58.2 | 86.5 | 164.5 | -76.2 | 178.5 | -19.3 | 0 | 0 | 109.2 | ||||
| 843 | K | 32.9 | Very low | 35.7 | Very low | 192 Ų | 192 | 164.1 Ų | 164.1 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -75.3 | 123.9 | 158.1 | -93.9 | -179.3 | 177.2 | 174.2 | 0 | 107.9 | S841 R845 | S841-K843 PolarHBondContact O-N 2.79Å; K843-R845 PolarHBondContact O-N 3.03Å | ||
| 844 | P | 36.6 | Very low | 35.1 | Very low | 126 Ų | 126 | 167.9 Ų | 167.9 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -65.2 | 110.5 | -176.3 | 24.3 | -30.9 | 0 | 0 | 0 | 109.8 | N846 | P844-N846 PolarHBondContact O-N 3.09Å; P844-N846 VanDerWaalsContact O-N 3.1Å | ||
| 845 | R | 37.8 | Very low | 34.6 | Very low | 234 Ų | 234 | 172.1 Ų | 172.1 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | trans | -71.3 | 101.7 | 168.7 | -101.5 | 178.6 | 162.3 | 163.3 | -4.7 | 108.3 | K843 K847 | K843-R845 PolarHBondContact O-N 3.03Å; R845-K847 PolarHBondContact O-N 3.41Å | ||
| 846 | N | 33.8 | Very low | 34.3 | Very low | 168 Ų | 168 | 169.1 Ų | 169.1 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | -59.8 | 95.2 | 170.8 | -127.1 | -6.5 | 0 | 0 | 0 | 109.3 | P844 S848 | P844-N846 PolarHBondContact O-N 3.09Å; P844-N846 VanDerWaalsContact O-N 3.1Å; N846-S848 PolarHBondContact O-N 3.07Å; N846-S848 VanDerWaalsContact O-N 3.13Å | ||
| 847 | K | 35.7 | Very low | 33.7 | Very low | 190 Ų | 190 | 170.7 Ų | 170.7 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | trans | -78.5 | 90.1 | 174.4 | -78.4 | -175.7 | 177.8 | 177.7 | 0 | 108.9 | R845 R849 | R845-K847 PolarHBondContact O-N 3.41Å; K847-R849 PolarHBondContact O-N 3.21Å; K847-R849 VanDerWaalsContact C-N 3.33Å | ||
| 848 | S | 34.3 | Very low | 33.3 | Very low | 107 Ų | 107 | 172.6 Ų | 172.6 | 75% | 0.748 | 83% | 0.827 | S | S | * | * | trans | -68.5 | 91.9 | 160.8 | 157.3 | 0 | 0 | 0 | 0 | 108.8 | N846 K850 | N846-S848 PolarHBondContact O-N 3.07Å; N846-S848 VanDerWaalsContact O-N 3.13Å; S848-K850 PolarHBondContact O-N 3.22Å | ||
| 849 | R | 32 | Very low | 33.2 | Very low | 220 Ų | 220 | 168.6 Ų | 168.6 | 83% | 0.83 | 82% | 0.816 | S | S | * | * | trans | -62.8 | 105 | 164.1 | -91.1 | 176.5 | 161.5 | 167 | -7.3 | 108.4 | K847 | K847-R849 PolarHBondContact O-N 3.21Å; K847-R849 VanDerWaalsContact C-N 3.33Å | ||
| 850 | K | 33.7 | Very low | 32.9 | Very low | 195 Ų | 195 | 169.7 Ų | 169.7 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | trans | -91.8 | 101.9 | 157.8 | -98.9 | -177.1 | 173.8 | 179.4 | 0 | 107.4 | S848 K852 | S848-K850 PolarHBondContact O-N 3.22Å; K850-K852 PolarHBondContact O-N 3.34Å | ||
| 851 | H | 31.4 | Very low | 32.8 | Very low | 158 Ų | 158 | 171.1 Ų | 171.1 | 73% | 0.731 | 82% | 0.818 | S | S | * | * | trans | -56.2 | 128.3 | 159.6 | -84.4 | -99.2 | 0 | 0 | 0 | 108.2 | ||||
| 852 | K | 32.3 | Very low | 32.3 | Very low | 210 Ų | 210 | 172.7 Ų | 172.7 | 91% | 0.913 | 82% | 0.824 | S | S | * | * | trans | -122.4 | 109.6 | 156.7 | -116.2 | -172.2 | 174.6 | -170 | 0 | 105.3 | K850 | K850-K852 PolarHBondContact O-N 3.34Š| ||
| 853 | E | 31.4 | Very low | 32.1 | Very low | 180 Ų | 180 | 173.1 Ų | 173.1 | 84% | 0.841 | 82% | 0.823 | S | S | * | * | trans | -62.1 | 151 | 178.9 | -79 | 157.8 | 146.1 | 0 | 0 | 111.8 | ||||
| 854 | E | 27.1 | Very low | 31.9 | Very low | 182 Ų | 182 | 174.7 Ų | 174.7 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | -42.4 | 140.4 | 163.4 | -67.1 | 159.3 | 160.1 | 0 | 0 | 112.9 | ||||
| 855 | E | 32.1 | Very low | 31.5 | Very low | 205 Ų | 205 | 178.4 Ų | 178.4 | 96% | 0.958 | 83% | 0.827 | S | S | * | * | trans | -172.2 | 130.4 | 145 | -110 | 171.8 | -167.7 | 0 | 0 | 110.3 | ||||
| 856 | G | 31.7 | Very low | 31 | Very low | 64 Ų | 64 | 172.6 Ų | 172.6 | 66% | 0.66 | 82% | 0.818 | S | S | * | * | trans | 120.6 | 65.3 | 154 | 0 | 0 | 0 | 0 | 0 | 117.1 | W858 | G856-W858 PolarHBondContact O-N 3.38Š| ||
| 857 | E | 27.8 | Very low | 30.7 | Very low | 189 Ų | 189 | 171.7 Ų | 171.7 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -51.1 | 124.2 | 146.1 | -89.8 | 175.9 | 140.4 | 0 | 0 | 109.6 | ||||
| 858 | W | 29.9 | Very low | 30.4 | Very low | 250 Ų | 250 | 171.3 Ų | 171.3 | 95% | 0.947 | 81% | 0.814 | S | S | * | * | trans | -124.4 | 120.9 | 157.9 | -85.7 | 93.1 | 0 | 0 | 0 | 109.6 | G856 | G856-W858 PolarHBondContact O-N 3.38Š| ||
| 859 | V | 32.3 | Very low | 30 | Very low | 108 Ų | 108 | 175.1 Ų | 175.1 | 66% | 0.655 | 82% | 0.82 | S | S | * | * | trans | -76.3 | 146.5 | -172.7 | 166.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 860 | E | 28.3 | Very low | 30 | Very low | 157 Ų | 157 | 172.2 Ų | 172.2 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | trans | 9 | 122.4 | 155.8 | -62.3 | 176.8 | 129 | 0 | 0 | 119.4 | ||||
| 861 | H | 33.5 | Very low | 29.6 | Very low | 197 Ų | 197 | 167.4 Ų | 167.4 | 91% | 0.912 | 81% | 0.812 | S | S | * | * | trans | -127.7 | 98 | 141.1 | -97.1 | -63 | 0 | 0 | 0 | 111 | ||||
| 862 | T | 28 | Very low | 29.6 | Very low | 108 Ų | 108 | 167.9 Ų | 167.9 | 66% | 0.663 | 81% | 0.814 | S | S | * | * | trans | -68.7 | 118.2 | 166 | -22.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 863 | K | 31 | Very low | 29.5 | Very low | 195 Ų | 195 | 164 Ų | 164 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | -132.3 | 101.3 | 155.1 | -93.3 | -173.8 | 179.4 | 176.2 | 0 | 109.6 | F865 | K863-F865 PolarHBondContact O-N 3.09Š| ||
| 864 | R | 28.6 | Very low | 29.4 | Very low | 225 Ų | 225 | 163 Ų | 163 | 85% | 0.849 | 80% | 0.804 | S | S | * | * | trans | -53.5 | 125.3 | 162.1 | -75.5 | 172.5 | 172.1 | 165.3 | -3.2 | 109.4 | ||||
| 865 | F | 28.5 | Very low | 29.5 | Very low | 204 Ų | 204 | 162.4 Ų | 162.4 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | trans | -119.2 | 111.4 | 146.2 | -94.5 | -86.3 | 0 | 0 | 0 | 106.4 | K863 | K863-F865 PolarHBondContact O-N 3.09Š| ||
| 866 | V | 27.5 | Very low | 29.5 | Very low | 113 Ų | 113 | 158.6 Ų | 158.6 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | trans | -122.5 | 113.7 | 171 | 169.3 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 867 | N | 27.9 | Very low | 29.5 | Very low | 148 Ų | 148 | 162.4 Ų | 162.4 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | 165 | 153.1 | 134.5 | -93.9 | -14.1 | 0 | 0 | 0 | 112.3 | ||||
| 868 | E | 29.2 | Very low | 29.7 | Very low | 182 Ų | 182 | 161.1 Ų | 161.1 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | 93.6 | 78.9 | 164.6 | -70.3 | 172.2 | -177.4 | 0 | 0 | 117.5 | ||||
| 869 | E | 26.2 | Very low | 29.9 | Very low | 188 Ų | 188 | 155.7 Ų | 155.7 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -54.1 | 125.5 | 131.3 | -69.5 | 175.6 | 145.9 | 0 | 0 | 110 | ||||
| 870 | N | 30.7 | Very low | 30 | Very low | 159 Ų | 159 | 158.9 Ų | 158.9 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -160.9 | 126.8 | 140.3 | -111.7 | -20.9 | 0 | 0 | 0 | 111.6 | ||||
| 871 | S | 25.7 | Very low | 30.2 | Very low | 94 Ų | 94 | 156.1 Ų | 156.1 | 66% | 0.657 | 80% | 0.802 | S | S | * | * | trans | -61.2 | 139.2 | 169.8 | 55.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 872 | H | 31.4 | Very low | 30.3 | Very low | 167 Ų | 167 | 157.4 Ų | 157.4 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -166.4 | 127.8 | 138.3 | -99.5 | -54.3 | 0 | 0 | 0 | 113.3 | ||||
| 873 | N | 30.1 | Very low | 30.4 | Very low | 129 Ų | 129 | 162.7 Ų | 162.7 | 69% | 0.69 | 81% | 0.808 | S | S | * | * | trans | 71.7 | 98.2 | 140.1 | -63.6 | -3.1 | 0 | 0 | 0 | 120.6 | ||||
| 874 | N | 30.4 | Very low | 30.7 | Very low | 158 Ų | 158 | 159.7 Ų | 159.7 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | 21.1 | 106.3 | 116.2 | -70.7 | -9.8 | 0 | 0 | 0 | 116.5 | |||||
| 875 | M | 29.6 | Very low | 30.9 | Very low | 170 Ų | 170 | 153.5 Ų | 153.5 | 84% | 0.837 | 80% | 0.802 | S | S | * | * | trans | -121.1 | 83.1 | 162.1 | -153.3 | 178.4 | -76.5 | 0 | 0 | 107.6 | L877 | M875-L877 HydrophobicContact CG-CD1 4.36Å; M875-L877 HydrophobicContact SD-CD1 4.45Å | ||
| 876 | C | 30.2 | Very low | 31.4 | Very low | 126 Ų | 126 | 150.1 Ų | 150.1 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -81.6 | 113.1 | 164.6 | -73.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 877 | L | 33.2 | Very low | 31.9 | Very low | 144 Ų | 144 | 150.3 Ų | 150.3 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | -94.9 | 112.5 | 172.4 | -97.6 | 134.8 | 0 | 0 | 0 | 108.6 | M875 | M875-L877 HydrophobicContact CG-CD1 4.36Å; M875-L877 HydrophobicContact SD-CD1 4.45Å | ||
| 878 | D | 31.9 | Very low | 32.4 | Very low | 161 Ų | 161 | 150.8 Ų | 150.8 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -57.7 | 124.9 | 167.2 | -98.4 | -40.5 | 0 | 0 | 0 | 110.6 | ||||
| 879 | T | 34.3 | Very low | 32.8 | Very low | 137 Ų | 137 | 148.1 Ų | 148.1 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | -107.7 | 94.5 | 165.9 | 49.3 | 0 | 0 | 0 | 0 | 108.9 | S881 | T879-S881 PolarHBondContact O-N 3.22Š| ||
| 880 | E | 34 | Very low | 33.6 | Very low | 175 Ų | 175 | 142.9 Ų | 142.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -65.7 | 119 | 169.9 | -90.1 | 179.9 | 147.2 | 0 | 0 | 111.2 | R882 | E880-R882 PolarHBondContact O-N 3Š| ||
| 881 | S | 32.8 | Very low | 33.9 | Very low | 98 Ų | 98 | 143.9 Ų | 143.9 | 69% | 0.685 | 83% | 0.829 | S | S | * | * | trans | -76.2 | 106.9 | 170.5 | 57.4 | 0 | 0 | 0 | 0 | 110.9 | T879 Y883 | T879-S881 PolarHBondContact O-N 3.22Å; S881-Y883 PolarHBondContact O-N 2.73Å | ||
| 882 | R | 34.2 | Very low | 34.3 | Very low | 225 Ų | 225 | 146.4 Ų | 146.4 | 85% | 0.849 | 84% | 0.838 | S | S | * | * | trans | -80.8 | 104.5 | 167.5 | -72.7 | -175.3 | -154.7 | -174.7 | 6.2 | 110.2 | E880 V884 | E880-R882 PolarHBondContact O-N 3Å; R882-V884 PolarHBondContact O-N 3.41Å | ||
| 883 | Y | 31.8 | Very low | 34.4 | Very low | 219 Ų | 219 | 145.3 Ų | 145.3 | 86% | 0.859 | 84% | 0.841 | S | S | * | * | trans | -71.5 | 116 | 162.1 | -86.1 | -94.2 | 0 | 0 | 0 | 109.2 | S881 | S881-Y883 PolarHBondContact O-N 2.73Š| ||
| 884 | V | 35.6 | Very low | 34.6 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 80% | 0.8 | 85% | 0.85 | S | S | * | * | trans | -90.1 | 112.2 | 171.3 | 177.7 | 0 | 0 | 0 | 0 | 107.8 | R882 | R882-V884 PolarHBondContact O-N 3.41Š| ||
| 885 | A | 34.1 | Very low | 34.9 | Very low | 94 Ų | 94 | 145.5 Ų | 145.5 | 78% | 0.777 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 129.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 886 | V | 37.8 | Very low | 35.2 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 81% | 0.812 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 136 | 173.5 | 178 | 0 | 0 | 0 | 0 | 109.1 | ||
| 887 | P | 39.6 | Very low | 35.6 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 76% | 0.76 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 141.1 | -173.9 | -7.8 | 24.6 | 0 | 0 | 0 | 112.7 | ||
| 888 | N | 37.5 | Very low | 35.7 | Very low | 157 Ų | 157 | 145.2 Ų | 145.2 | 84% | 0.84 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 122.8 | -177.3 | -154.9 | 5.9 | 0 | 0 | 0 | 111 | G890 | N888-G890 PolarHBondContact O-N 2.91Š|
| 889 | P | 37.2 | Very low | 36 | Very low | 127 Ų | 127 | 144 Ų | 144 | 83% | 0.825 | 86% | 0.858 | S | S | * | * | trans | -86.3 | 100.9 | 177 | 31.8 | -27.8 | 0 | 0 | 0 | 109.7 | ||||
| 890 | G | 42.3 | Very low | 36.2 | Very low | 78 Ų | 78 | 144.6 Ų | 144.6 | 80% | 0.804 | 86% | 0.859 | S | S | * | * | trans | -175.1 | 70.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N888 | N888-G890 PolarHBondContact O-N 2.91Š| ||
| 891 | A | 37 | Very low | 36.4 | Very low | 179 Ų | 179 | 141.8 Ų | 141.8 | 100% | 1.479 | 86% | 0.863 | S | S | * | * | trans | -145.1 | 0 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 891 of 891 residues in 426.9 ms
(Link to these results)