| 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 | D | 92.4 | Very high | 97.9 | Very high | 167 Ų | 167 | 50.9 Ų | 50.9 | 89% | 0.893 | 28% | 0.283 | S | S | * | . | 0 | -65.8 | 0 | -56.8 | -3.6 | 0 | 0 | 0 | 113.4 | G3 T4 L5 | D1-G3 PolarHBondContact O-N 3Å; D1-T4 WeakPolarHBondContact O-CA 3.4Å; D1-T4 WeakPolarHBondContact O-CB 3.49Å; D1-T4 PolarHBondContact O-N 2.53Å; D1-L5 PolarHBondContact O-N 3.33Å | |||
| 2 | I | 97.6 | Very high | 98 | Very high | 30 Ų | 30 | 57.7 Ų | 57.7 | 15% | 0.154 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.4 | -46 | -176.4 | -59.7 | -56.1 | 0 | 0 | 0 | 113.1 | T4 L5 Y6 N86 F89 | I2-T4 VanDerWaalsContact C-N 3.28Å; I2-T4 PolarHBondContact O-N 3.15Å; I2-L5 HydrophobicContact CD1-CD1 4.25Å; I2-L5 WeakPolarHBondContact O-CB 3.41Å; I2-L5 PolarHBondContact O-N 3.21Å; I2-L5 VanDerWaalsContact O-N 3.12Å; I2-Y6 HydrophobicContact CG2-CD2 3.73Å; I2-Y6 HydrophobicContact CG2-CE2 3.55Å; I2-Y6 VanDerWaalsContact O-CD2 3.3Å; I2-Y6 WeakPolarHBondContact O-CD2 3.3Å; I2-Y6 PolarHBondContact O-N 3.01Å; I2-N86 HydrophobicContact CD1-CB 4.06Å; I2-N86 WeakPolarHBondContact CD1-OD1 3.36Å; I2-F89 HydrophobicContact CG2-CB 4.13Å |
| 3 | G | 97.6 | Very high | 98 | Very high | 6 Ų | 6 | 53.2 Ų | 53.2 | 6% | 0.062 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.2 | -38.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1 Y6 F7 G64 | D1-G3 PolarHBondContact O-N 3Å; G3-Y6 WeakPolarHBondContact O-CB 3.36Å; G3-Y6 PolarHBondContact O-N 3.17Å; G3-F7 WeakPolarHBondContact O-CD2 3.37Å; G3-F7 PolarHBondContact O-N 3.46Å; G3-F7 VanDerWaalsContact O-N 3.13Å; G3-G64 WeakPolarHBondContact O-CA 3.48Å |
| 4 | T | 98.4 | Very high | 98.1 | Very high | 56 Ų | 56 | 49.8 Ų | 49.8 | 34% | 0.344 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 175.3 | -46.7 | 0 | 0 | 0 | 0 | 111.8 | D1 I2 Y6 F7 I8 | D1-T4 WeakPolarHBondContact O-CA 3.4Å; D1-T4 WeakPolarHBondContact O-CB 3.49Å; D1-T4 PolarHBondContact O-N 2.53Å; I2-T4 VanDerWaalsContact C-N 3.28Å; I2-T4 PolarHBondContact O-N 3.15Å; T4-Y6 VanDerWaalsContact C-N 3.34Å; T4-Y6 PolarHBondContact O-N 3.37Å; T4-F7 PolarHBondContact O-N 2.87Å; T4-I8 HydrophobicContact CG2-CD1 4.13Å; T4-I8 WeakPolarHBondContact O-CG1 3.27Å; T4-I8 PolarHBondContact O-N 2.9Å |
| 5 | L | 98.7 | Very high | 98.1 | Very high | 61 Ų | 61 | 54.4 Ų | 54.4 | 32% | 0.319 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 176.2 | -67.9 | 177 | 0 | 0 | 0 | 111.7 | D1 I2 F7 I8 F9 F89 | D1-L5 PolarHBondContact O-N 3.33Å; I2-L5 HydrophobicContact CD1-CD1 4.25Å; I2-L5 WeakPolarHBondContact O-CB 3.41Å; I2-L5 PolarHBondContact O-N 3.21Å; I2-L5 VanDerWaalsContact O-N 3.12Å; L5-F7 VanDerWaalsContact C-N 3.33Å; L5-F7 PolarHBondContact O-N 2.86Å; L5-I8 PolarHBondContact O-N 3.35Å; L5-F9 VanDerWaalsContact O-CB 3.27Å; L5-F9 WeakPolarHBondContact O-CB 3.31Å; L5-F9 PolarHBondContact O-N 3.03Å; L5-F89 VanDerWaalsContact C-CE2 3.45Å; L5-F89 HydrophobicContact CB-CD1 4.25Å; L5-F89 HydrophobicContact CB-CD2 4.06Å; L5-F89 HydrophobicContact CB-CE1 3.86Å; L5-F89 HydrophobicContact CB-CE2 3.64Å; L5-F89 HydrophobicContact CB-CG 4.35Å; L5-F89 HydrophobicContact CB-CZ 3.55Å; L5-F89 HydrophobicContact CD1-CD1 4.06Å; L5-F89 HydrophobicContact CD1-CE1 3.85Å; L5-F89 HydrophobicContact CD1-CZ 4.39Å; L5-F89 HydrophobicContact CG-CE1 4.37Å; L5-F89 HydrophobicContact CG-CZ 4.42Å; L5-F89 WeakPolarHBondContact O-CE2 3.13Å |
| 6 | Y | 98.8 | Very high | 98.1 | Very high | 8 Ų | 8 | 53.3 Ų | 53.3 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.6 | -42.6 | 172.2 | -87.6 | -71.4 | 0 | 0 | 0 | 112.7 | I2 G3 T4 G10 P59 G63 S88 F89 L92 | I2-Y6 HydrophobicContact CG2-CD2 3.73Å; I2-Y6 HydrophobicContact CG2-CE2 3.55Å; I2-Y6 VanDerWaalsContact O-CD2 3.3Å; I2-Y6 WeakPolarHBondContact O-CD2 3.3Å; I2-Y6 PolarHBondContact O-N 3.01Å; G3-Y6 WeakPolarHBondContact O-CB 3.36Å; G3-Y6 PolarHBondContact O-N 3.17Å; T4-Y6 VanDerWaalsContact C-N 3.34Å; T4-Y6 PolarHBondContact O-N 3.37Å; Y6-G10 PolarHBondContact O-N 3.36Å; Y6-P59 HydrophobicContact CD1-CB 3.98Å; Y6-G63 WeakPolarHBondContact CD2-O 3.28Å; Y6-G63 VanDerWaalsContact CG-C 3.49Å; Y6-S88 VanDerWaalsContact OH-C 3.27Å; Y6-S88 PolarHBondContact OH-OG 2.69Å; Y6-F89 AromaticContact CD1-CD2 3.97Å; Y6-F89 HydrophobicContact CD1-CD2 3.97Å; Y6-F89 HydrophobicContact CD2-CB 4.36Å; Y6-F89 HydrophobicContact CD2-CD2 4.05Å; Y6-F89 HydrophobicContact CE1-CB 4.47Å; Y6-F89 HydrophobicContact CE1-CD2 4.11Å; Y6-F89 HydrophobicContact CE2-CB 3.74Å; Y6-F89 HydrophobicContact CE2-CD2 4.17Å; Y6-F89 HydrophobicContact CE2-CG 4.42Å; Y6-F89 AromaticContact CG-CD2 3.94Å; Y6-F89 HydrophobicContact CG-CD2 3.94Å; Y6-F89 WeakPolarHBondContact OH-CA 3.24Å; Y6-F89 PolarHBondContact OH-N 3.1Å; Y6-F89 VanDerWaalsContact OH-N 3.12Å; Y6-L92 HydrophobicContact CD1-CD1 3.9Å; Y6-L92 HydrophobicContact CE1-CD1 3.43Å; Y6-L92 VanDerWaalsContact CE1-CD1 3.43Å |
| 7 | F | 98.7 | Very high | 98.2 | Very high | 43 Ų | 43 | 50.1 Ų | 50.1 | 19% | 0.189 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.8 | -46.4 | 176.5 | -75.9 | -55.4 | 0 | 0 | 0 | 112.8 | G3 T4 L5 G10 A11 I60 F65 W68 | G3-F7 WeakPolarHBondContact O-CD2 3.37Å; G3-F7 PolarHBondContact O-N 3.46Å; G3-F7 VanDerWaalsContact O-N 3.13Å; T4-F7 PolarHBondContact O-N 2.87Å; L5-F7 VanDerWaalsContact C-N 3.33Å; L5-F7 PolarHBondContact O-N 2.86Å; F7-G10 PolarHBondContact O-N 3.34Å; F7-A11 WeakPolarHBondContact O-CB 3.07Å; F7-A11 PolarHBondContact O-N 3.38Å; F7-I60 HydrophobicContact CD1-CG2 4.03Å; F7-I60 HydrophobicContact CE1-CG2 3.85Å; F7-F65 HydrophobicContact CE1-CD1 4.24Å; F7-F65 AromaticContact CE1-CD2 3.76Å; F7-F65 HydrophobicContact CE1-CD2 3.76Å; F7-F65 HydrophobicContact CE1-CE1 4.22Å; F7-F65 AromaticContact CE1-CE2 3.75Å; F7-F65 HydrophobicContact CE1-CE2 3.75Å; F7-F65 HydrophobicContact CE1-CG 4.01Å; F7-F65 AromaticContact CE1-CZ 3.98Å; F7-F65 HydrophobicContact CE1-CZ 3.98Å; F7-F65 HydrophobicContact CZ-CB 4.26Å; F7-F65 AromaticContact CZ-CD1 3.58Å; F7-F65 HydrophobicContact CZ-CD1 3.58Å; F7-F65 AromaticContact CZ-CD2 3.89Å; F7-F65 HydrophobicContact CZ-CD2 3.89Å; F7-F65 AromaticContact CZ-CE1 3.77Å; F7-F65 HydrophobicContact CZ-CE1 3.77Å; F7-F65 HydrophobicContact CZ-CE2 4.08Å; F7-F65 AromaticContact CZ-CG 3.63Å; F7-F65 HydrophobicContact CZ-CG 3.63Å; F7-F65 HydrophobicContact CZ-CZ 4.02Å; F7-F65 VanDerWaalsContact CZ-N 3.26Å; F7-W68 AromaticContact CD2-CE3 3.79Å; F7-W68 HydrophobicContact CD2-CE3 3.79Å; F7-W68 AromaticContact CD2-CZ3 3.96Å; F7-W68 HydrophobicContact CD2-CZ3 3.96Å; F7-W68 HydrophobicContact CE2-CD2 4.41Å; F7-W68 AromaticContact CE2-CE3 3.52Å; F7-W68 HydrophobicContact CE2-CE3 3.52Å; F7-W68 HydrophobicContact CE2-CZ3 4.03Å |
| 8 | I | 98.8 | Very high | 98.2 | Very high | 112 Ų | 112 | 50.9 Ų | 50.9 | 57% | 0.574 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.4 | -48.4 | 179.5 | -66.5 | 167.6 | 0 | 0 | 0 | 110 | T4 L5 W12 | T4-I8 HydrophobicContact CG2-CD1 4.13Å; T4-I8 WeakPolarHBondContact O-CG1 3.27Å; T4-I8 PolarHBondContact O-N 2.9Å; L5-I8 PolarHBondContact O-N 3.35Å; I8-W12 WeakPolarHBondContact O-CB 3.46Å; I8-W12 PolarHBondContact O-N 3.02Å |
| 9 | F | 98.8 | Very high | 98.2 | Very high | 23 Ų | 23 | 51.8 Ų | 51.8 | 10% | 0.101 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.1 | -50.1 | 177.8 | 175.6 | -94.4 | 0 | 0 | 0 | 111.6 | L5 A11 W12 A13 F55 P59 F89 L92 P93 L96 | L5-F9 VanDerWaalsContact O-CB 3.27Å; L5-F9 WeakPolarHBondContact O-CB 3.31Å; L5-F9 PolarHBondContact O-N 3.03Å; F9-A11 PolarHBondContact O-N 2.65Å; F9-W12 PolarHBondContact O-N 3.12Å; F9-A13 WeakPolarHBondContact O-CB 3.21Å; F9-A13 PolarHBondContact O-N 3.24Å; F9-F55 HydrophobicContact CE1-CB 4.29Å; F9-F55 AromaticContact CE1-CD1 3.98Å; F9-F55 HydrophobicContact CE1-CD1 3.98Å; F9-F55 AromaticContact CZ-CD1 3.82Å; F9-F55 HydrophobicContact CZ-CD1 3.82Å; F9-P59 HydrophobicContact CD1-CB 4.29Å; F9-P59 HydrophobicContact CE1-CG 4.38Å; F9-F89 HydrophobicContact CB-CE2 3.9Å; F9-F89 HydrophobicContact CB-CZ 4.37Å; F9-F89 HydrophobicContact CG-CE2 4.39Å; F9-L92 HydrophobicContact CD1-CB 4.33Å; F9-L92 HydrophobicContact CD1-CD1 4.12Å; F9-L92 HydrophobicContact CE1-CB 3.74Å; F9-L92 HydrophobicContact CE1-CD1 3.96Å; F9-L92 HydrophobicContact CE1-CG 4.42Å; F9-L92 HydrophobicContact CE2-CB 4.36Å; F9-L92 HydrophobicContact CZ-CB 3.74Å; F9-P93 HydrophobicContact CD2-CG 4.36Å; F9-P93 HydrophobicContact CE2-CB 4.5Å; F9-P93 HydrophobicContact CE2-CG 4.26Å; F9-L96 HydrophobicContact CE2-CB 4.27Å; F9-L96 HydrophobicContact CE2-CD2 3.74Å; F9-L96 HydrophobicContact CZ-CB 3.92Å; F9-L96 HydrophobicContact CZ-CD2 3.66Å; F9-L96 HydrophobicContact CZ-CG 4.45Å |
| 10 | G | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.9 | -38.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y6 F7 G14 F55 | Y6-G10 PolarHBondContact O-N 3.36Å; F7-G10 PolarHBondContact O-N 3.34Å; G10-G14 PolarHBondContact O-N 3.42Å; G10-F55 WeakPolarHBondContact CA-O 3.33Å |
| 11 | A | 98.7 | Very high | 98.2 | Very high | 54 Ų | 54 | 49.5 Ų | 49.5 | 45% | 0.446 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | F7 F9 G14 M15 | F7-A11 WeakPolarHBondContact O-CB 3.07Å; F7-A11 PolarHBondContact O-N 3.38Å; F9-A11 PolarHBondContact O-N 2.65Å; A11-G14 PolarHBondContact O-N 3.18Å; A11-M15 WeakPolarHBondContact O-CG 3.46Å; A11-M15 PolarHBondContact O-N 3.22Å |
| 12 | W | 98.8 | Very high | 98.5 | Very high | 132 Ų | 132 | 46.8 Ų | 46.8 | 50% | 0.5 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.9 | -50.3 | 176.7 | -173.9 | 91.8 | 0 | 0 | 0 | 112 | I8 F9 G14 M15 V16 L96 | I8-W12 WeakPolarHBondContact O-CB 3.46Å; I8-W12 PolarHBondContact O-N 3.02Å; F9-W12 PolarHBondContact O-N 3.12Å; W12-G14 VanDerWaalsContact C-N 3.28Å; W12-G14 PolarHBondContact O-N 3.11Å; W12-M15 HydrophobicContact CB-CE 4.47Å; W12-M15 WeakPolarHBondContact O-CB 3.49Å; W12-M15 PolarHBondContact O-N 3.03Å; W12-M15 VanDerWaalsContact O-N 3.14Å; W12-V16 HydrophobicContact CD2-CG2 4.35Å; W12-V16 HydrophobicContact CE3-CG2 4.07Å; W12-V16 HydrophobicContact CH2-CG2 3.74Å; W12-V16 HydrophobicContact CZ2-CG2 4.03Å; W12-V16 HydrophobicContact CZ3-CG2 3.75Å; W12-V16 PolarHBondContact O-N 3.13Å; W12-L96 HydrophobicContact CE3-CD2 4.08Å; W12-L96 HydrophobicContact CZ3-CD2 3.7Å |
| 13 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F9 M15 V16 G17 I51 F55 L96 | F9-A13 WeakPolarHBondContact O-CB 3.21Å; F9-A13 PolarHBondContact O-N 3.24Å; A13-M15 VanDerWaalsContact C-N 3.33Å; A13-M15 PolarHBondContact O-N 3.32Å; A13-V16 WeakPolarHBondContact O-CB 3.42Å; A13-V16 PolarHBondContact O-N 3.19Å; A13-V16 VanDerWaalsContact O-N 3.14Å; A13-G17 PolarHBondContact O-N 3.34Å; A13-I51 HydrophobicContact CB-CG2 4.28Å; A13-I51 WeakPolarHBondContact O-CG2 3.16Å; A13-F55 HydrophobicContact CB-CB 3.87Å; A13-F55 WeakPolarHBondContact CB-O 3.45Å; A13-L96 HydrophobicContact CB-CD2 3.96Å |
| 14 | G | 98.6 | Very high | 98.6 | Very high | 5 Ų | 5 | 50.2 Ų | 50.2 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.3 | -37.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G10 A11 W12 G17 T18 M56 | G10-G14 PolarHBondContact O-N 3.42Å; A11-G14 PolarHBondContact O-N 3.18Å; W12-G14 VanDerWaalsContact C-N 3.28Å; W12-G14 PolarHBondContact O-N 3.11Å; G14-G17 PolarHBondContact O-N 2.97Å; G14-T18 VanDerWaalsContact O-CB 3.29Å; G14-T18 WeakPolarHBondContact O-CB 3.36Å; G14-T18 PolarHBondContact O-N 3.39Å; G14-T18 PolarHBondContact O-OG1 3.34Å; G14-M56 VanDerWaalsContact CA-SD 3.55Å |
| 15 | M | 98.6 | Very high | 98.6 | Very high | 119 Ų | 119 | 56.5 Ų | 56.5 | 59% | 0.586 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65 | -41.9 | 172.8 | -71.1 | -173.5 | -68.7 | 0 | 0 | 111.8 | A11 W12 A13 T18 S19 | A11-M15 WeakPolarHBondContact O-CG 3.46Å; A11-M15 PolarHBondContact O-N 3.22Å; W12-M15 HydrophobicContact CB-CE 4.47Å; W12-M15 WeakPolarHBondContact O-CB 3.49Å; W12-M15 PolarHBondContact O-N 3.03Å; W12-M15 VanDerWaalsContact O-N 3.14Å; A13-M15 VanDerWaalsContact C-N 3.33Å; A13-M15 PolarHBondContact O-N 3.32Å; M15-T18 PolarHBondContact O-N 2.99Å; M15-S19 WeakPolarHBondContact O-CB 3.46Å; M15-S19 PolarHBondContact O-N 2.83Å; M15-S19 PolarHBondContact O-OG 2.85Å |
| 16 | V | 98.6 | Very high | 98.5 | Very high | 36 Ų | 36 | 55.5 Ų | 55.5 | 22% | 0.218 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.4 | -50.9 | 174.3 | 179 | 0 | 0 | 0 | 0 | 110.4 | W12 A13 T18 S19 L20 I51 L100 | W12-V16 HydrophobicContact CD2-CG2 4.35Å; W12-V16 HydrophobicContact CE3-CG2 4.07Å; W12-V16 HydrophobicContact CH2-CG2 3.74Å; W12-V16 HydrophobicContact CZ2-CG2 4.03Å; W12-V16 HydrophobicContact CZ3-CG2 3.75Å; W12-V16 PolarHBondContact O-N 3.13Å; A13-V16 WeakPolarHBondContact O-CB 3.42Å; A13-V16 PolarHBondContact O-N 3.19Å; A13-V16 VanDerWaalsContact O-N 3.14Å; V16-T18 VanDerWaalsContact C-N 3.33Å; V16-T18 PolarHBondContact O-N 2.96Å; V16-S19 WeakPolarHBondContact O-CB 3.49Å; V16-S19 PolarHBondContact O-N 3.45Å; V16-S19 VanDerWaalsContact O-N 3.12Å; V16-L20 PolarHBondContact O-N 3.31Å; V16-I51 HydrophobicContact CG1-CD1 3.9Å; V16-L100 HydrophobicContact CG1-CD2 4.46Å |
| 17 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.3 | -41.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A13 G14 S19 L20 S21 H48 | A13-G17 PolarHBondContact O-N 3.34Å; G14-G17 PolarHBondContact O-N 2.97Å; G17-S19 VanDerWaalsContact C-N 3.33Å; G17-S19 PolarHBondContact O-N 3.43Å; G17-L20 PolarHBondContact O-N 3Å; G17-S21 PolarHBondContact O-N 2.98Å; G17-H48 PolarHBondContact O-ND1 3Å |
| 18 | T | 98.6 | Very high | 98.3 | Very high | 65 Ų | 65 | 59.6 Ų | 59.6 | 40% | 0.399 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 176.1 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | G14 M15 V16 L20 S21 I22 | G14-T18 VanDerWaalsContact O-CB 3.29Å; G14-T18 WeakPolarHBondContact O-CB 3.36Å; G14-T18 PolarHBondContact O-N 3.39Å; G14-T18 PolarHBondContact O-OG1 3.34Å; M15-T18 PolarHBondContact O-N 2.99Å; V16-T18 VanDerWaalsContact C-N 3.33Å; V16-T18 PolarHBondContact O-N 2.96Å; T18-L20 VanDerWaalsContact C-N 3.33Å; T18-L20 PolarHBondContact O-N 3.4Å; T18-S21 WeakPolarHBondContact O-CA 3.11Å; T18-S21 VanDerWaalsContact O-CB 3.25Å; T18-S21 WeakPolarHBondContact O-CB 3.28Å; T18-S21 PolarHBondContact O-N 3.03Å; T18-S21 VanDerWaalsContact O-N 3.11Å; T18-I22 HydrophobicContact CG2-CD1 4.47Å; T18-I22 WeakPolarHBondContact O-CG1 3.21Å; T18-I22 PolarHBondContact O-N 2.76Å |
| 19 | S | 98.5 | Very high | 98.2 | Very high | 68 Ų | 68 | 57 Ų | 57 | 48% | 0.476 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 175.6 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | M15 V16 G17 S21 I22 L23 | M15-S19 WeakPolarHBondContact O-CB 3.46Å; M15-S19 PolarHBondContact O-N 2.83Å; M15-S19 PolarHBondContact O-OG 2.85Å; V16-S19 WeakPolarHBondContact O-CB 3.49Å; V16-S19 PolarHBondContact O-N 3.45Å; V16-S19 VanDerWaalsContact O-N 3.12Å; G17-S19 VanDerWaalsContact C-N 3.33Å; G17-S19 PolarHBondContact O-N 3.43Å; S19-S21 VanDerWaalsContact C-N 3.33Å; S19-S21 PolarHBondContact O-N 3.27Å; S19-I22 PolarHBondContact O-N 2.82Å; S19-L23 PolarHBondContact O-N 3.26Å |
| 20 | L | 98.5 | Very high | 97.9 | Very high | 31 Ų | 31 | 61.5 Ų | 61.5 | 16% | 0.162 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.5 | -38.8 | 172.5 | -61 | 177.4 | 0 | 0 | 0 | 111.9 | V16 G17 T18 I22 L23 I24 I44 A47 H48 I51 | V16-L20 PolarHBondContact O-N 3.31Å; G17-L20 PolarHBondContact O-N 3Å; T18-L20 VanDerWaalsContact C-N 3.33Å; T18-L20 PolarHBondContact O-N 3.4Å; L20-I22 VanDerWaalsContact C-N 3.3Å; L20-I22 PolarHBondContact O-N 3.36Å; L20-L23 HydrophobicContact CD2-CD1 4.44Å; L20-L23 WeakPolarHBondContact O-CB 3.35Å; L20-L23 PolarHBondContact O-N 3.02Å; L20-I24 VanDerWaalsContact O-CG1 3.31Å; L20-I24 WeakPolarHBondContact O-CG1 3.48Å; L20-I24 PolarHBondContact O-N 3.47Å; L20-I44 HydrophobicContact CB-CG2 3.97Å; L20-I44 HydrophobicContact CD2-CG2 4.09Å; L20-A47 HydrophobicContact CD1-CB 3.85Å; L20-H48 HydrophobicContact CB-CB 3.91Å; L20-H48 HydrophobicContact CD1-CB 4.33Å; L20-I51 HydrophobicContact CD1-CD1 3.88Å |
| 21 | S | 98.5 | Very high | 97.5 | Very high | 24 Ų | 24 | 67.9 Ų | 67.9 | 17% | 0.168 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.2 | -39.4 | 174.9 | -159.1 | 0 | 0 | 0 | 0 | 112.7 | G17 T18 S19 I24 R25 H48 | G17-S21 PolarHBondContact O-N 2.98Å; T18-S21 WeakPolarHBondContact O-CA 3.11Å; T18-S21 VanDerWaalsContact O-CB 3.25Å; T18-S21 WeakPolarHBondContact O-CB 3.28Å; T18-S21 PolarHBondContact O-N 3.03Å; T18-S21 VanDerWaalsContact O-N 3.11Å; S19-S21 VanDerWaalsContact C-N 3.33Å; S19-S21 PolarHBondContact O-N 3.27Å; S21-I24 PolarHBondContact O-N 3.37Å; S21-R25 WeakPolarHBondContact O-CG 3.34Å; S21-R25 PolarHBondContact O-N 2.99Å; S21-H48 VanDerWaalsContact CB-CE1 3.43Å; S21-H48 WeakPolarHBondContact CB-CE1 3.29Å |
| 22 | I | 98.4 | Very high | 97.1 | Very high | 110 Ų | 110 | 68.3 Ų | 68.3 | 56% | 0.564 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.7 | -42.1 | 176.9 | -67.2 | 167.1 | 0 | 0 | 0 | 110.2 | T18 S19 L20 R25 A26 | T18-I22 HydrophobicContact CG2-CD1 4.47Å; T18-I22 WeakPolarHBondContact O-CG1 3.21Å; T18-I22 PolarHBondContact O-N 2.76Å; S19-I22 PolarHBondContact O-N 2.82Å; L20-I22 VanDerWaalsContact C-N 3.3Å; L20-I22 PolarHBondContact O-N 3.36Å; I22-R25 PolarHBondContact O-N 2.92Å; I22-A26 WeakPolarHBondContact O-CB 3.44Å; I22-A26 PolarHBondContact O-N 3.44Å |
| 23 | L | 97.9 | Very high | 96.4 | Very high | 87 Ų | 87 | 65.5 Ų | 65.5 | 46% | 0.455 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 175.3 | -65.9 | 175.5 | 0 | 0 | 0 | 112 | S19 L20 R25 A26 E27 I44 | S19-L23 PolarHBondContact O-N 3.26Å; L20-L23 HydrophobicContact CD2-CD1 4.44Å; L20-L23 WeakPolarHBondContact O-CB 3.35Å; L20-L23 PolarHBondContact O-N 3.02Å; L23-R25 VanDerWaalsContact C-N 3.33Å; L23-R25 PolarHBondContact O-N 3.43Å; L23-A26 PolarHBondContact O-N 3.3Å; L23-E27 PolarHBondContact O-N 2.64Å; L23-I44 HydrophobicContact CB-CG2 4.42Å; L23-I44 HydrophobicContact CD1-CD1 4.37Å |
| 24 | I | 98.3 | Very high | 96 | Very high | 20 Ų | 20 | 70.7 Ų | 70.7 | 10% | 0.103 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -57.6 | -47.6 | 175.7 | -65.2 | 162.8 | 0 | 0 | 0 | 110.4 | L20 S21 A26 E27 L28 Y41 I44 V45 H48 | L20-I24 VanDerWaalsContact O-CG1 3.31Å; L20-I24 WeakPolarHBondContact O-CG1 3.48Å; L20-I24 PolarHBondContact O-N 3.47Å; S21-I24 PolarHBondContact O-N 3.37Å; I24-A26 VanDerWaalsContact C-N 3.34Å; I24-A26 PolarHBondContact O-N 2.93Å; I24-E27 PolarHBondContact O-N 3.42Å; I24-L28 HydrophobicContact CG2-CD1 4.15Å; I24-L28 WeakPolarHBondContact O-CG 3.15Å; I24-L28 PolarHBondContact O-N 2.96Å; I24-L28 VanDerWaalsContact O-N 3.12Å; I24-Y41 HydrophobicContact CB-CE2 4.46Å; I24-Y41 HydrophobicContact CG2-CE2 3.99Å; I24-I44 HydrophobicContact CD1-CG2 4.09Å; I24-I44 HydrophobicContact CG1-CG2 3.67Å; I24-V45 HydrophobicContact CD1-CB 4.36Å; I24-V45 HydrophobicContact CD1-CG2 3.82Å; I24-V45 HydrophobicContact CG1-CG2 3.88Å; I24-V45 HydrophobicContact CG2-CG2 4.37Å; I24-H48 HydrophobicContact CD1-CB 3.9Å |
| 25 | R | 98 | Very high | 95.8 | Very high | 188 Ų | 188 | 73 Ų | 73 | 71% | 0.709 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -70 | -30.7 | 179.9 | -69.1 | -169.8 | -169.1 | -161.8 | 3.6 | 113.2 | S21 I22 L23 G29 | S21-R25 WeakPolarHBondContact O-CG 3.34Å; S21-R25 PolarHBondContact O-N 2.99Å; I22-R25 PolarHBondContact O-N 2.92Å; L23-R25 VanDerWaalsContact C-N 3.33Å; L23-R25 PolarHBondContact O-N 3.43Å; R25-G29 PolarHBondContact O-N 2.87Å; R25-G29 VanDerWaalsContact O-N 3.13Å |
| 26 | A | 96.8 | Very high | 95.6 | Very high | 40 Ų | 40 | 70.4 Ų | 70.4 | 33% | 0.331 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I22 L23 I24 L28 G29 L34 | I22-A26 WeakPolarHBondContact O-CB 3.44Å; I22-A26 PolarHBondContact O-N 3.44Å; L23-A26 PolarHBondContact O-N 3.3Å; I24-A26 VanDerWaalsContact C-N 3.34Å; I24-A26 PolarHBondContact O-N 2.93Å; A26-L28 VanDerWaalsContact C-N 3.31Å; A26-L28 PolarHBondContact O-N 3.45Å; A26-G29 PolarHBondContact O-N 2.91Å; A26-L34 HydrophobicContact CB-CD2 3.86Å |
| 27 | E | 96.9 | Very high | 95.4 | Very high | 23 Ų | 23 | 72 Ų | 72 | 11% | 0.107 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -58 | -44.5 | 173.8 | -172.6 | 62.4 | -151.2 | 0 | 0 | 111.6 | L23 I24 G29 A33 L34 I35 Y41 | L23-E27 PolarHBondContact O-N 2.64Å; I24-E27 PolarHBondContact O-N 3.42Å; E27-G29 VanDerWaalsContact C-N 3.25Å; E27-G29 PolarHBondContact O-N 3.46Å; E27-A33 WeakPolarHBondContact OE1-CA 3.32Å; E27-L34 PolarHBondContact OE1-N 2.91Å; E27-L34 WeakPolarHBondContact OE2-CA 3.37Å; E27-L34 WeakPolarHBondContact OE2-CB 3.3Å; E27-L34 PolarHBondContact OE2-N 2.99Å; E27-I35 HydrophobicContact CB-CD1 4.11Å; E27-I35 HydrophobicContact CG-CD1 4.17Å; E27-I35 VanDerWaalsContact OE2-CB 3.32Å; E27-I35 WeakPolarHBondContact OE2-CB 3.39Å; E27-I35 WeakPolarHBondContact OE2-CD1 3.21Å; E27-I35 WeakPolarHBondContact OE2-CG1 3.47Å; E27-I35 PolarHBondContact OE2-N 2.99Å; E27-Y41 HydrophobicContact CB-CD2 4.1Å; E27-Y41 HydrophobicContact CB-CE2 4.14Å; E27-Y41 HydrophobicContact CG-CD2 3.83Å; E27-Y41 HydrophobicContact CG-CE2 4.11Å |
| 28 | L | 97.2 | Very high | 95.3 | Very high | 114 Ų | 114 | 78.4 Ų | 78.4 | 60% | 0.597 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 4.3 | -178.1 | -62.2 | 177.8 | 0 | 0 | 0 | 114.2 | I24 A26 H30 Y41 | I24-L28 HydrophobicContact CG2-CD1 4.15Å; I24-L28 WeakPolarHBondContact O-CG 3.15Å; I24-L28 PolarHBondContact O-N 2.96Å; I24-L28 VanDerWaalsContact O-N 3.12Å; A26-L28 VanDerWaalsContact C-N 3.31Å; A26-L28 PolarHBondContact O-N 3.45Å; L28-H30 VanDerWaalsContact C-N 3.34Å; L28-H30 PolarHBondContact O-N 3.43Å; L28-Y41 WeakPolarHBondContact CD1-OH 3.48Å; L28-Y41 HydrophobicContact CG-CE2 4.41Å |
| 29 | G | 96.3 | Very high | 95.2 | Very high | 59 Ų | 59 | 77.7 Ų | 77.7 | 61% | 0.608 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -26.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R25 A26 E27 | R25-G29 PolarHBondContact O-N 2.87Å; R25-G29 VanDerWaalsContact O-N 3.13Å; A26-G29 PolarHBondContact O-N 2.91Å; E27-G29 VanDerWaalsContact C-N 3.25Å; E27-G29 PolarHBondContact O-N 3.46Å |
| 30 | H | 92.4 | Very high | 95.2 | Very high | 116 Ų | 116 | 78.4 Ų | 78.4 | 54% | 0.537 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -154.1 | 156.1 | 175.2 | 53.7 | 61 | 0 | 0 | 0 | 110.4 | L28 | L28-H30 VanDerWaalsContact C-N 3.34Å; L28-H30 PolarHBondContact O-N 3.43Å |
| 31 | P | 91.3 | Very high | 95.2 | Very high | 135 Ų | 135 | 79.4 Ų | 79.4 | 88% | 0.877 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -57.4 | 145.6 | 170.6 | -21.8 | 33.2 | 0 | 0 | 0 | 111.9 | ||
| 32 | G | 89.3 | Confident | 95.2 | Very high | 62 Ų | 62 | 81.4 Ų | 81.4 | 64% | 0.639 | 47% | 0.473 | S | S | * | . | S | Bend | trans | 114.7 | -177 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 33 | A | 83.7 | Confident | 95.2 | Very high | 73 Ų | 73 | 76.7 Ų | 76.7 | 60% | 0.603 | 45% | 0.45 | S | S | * | . | trans | -118.3 | 124 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | E27 | E27-A33 WeakPolarHBondContact OE1-CA 3.32Š| ||
| 34 | L | 91.8 | Very high | 95.2 | Very high | 110 Ų | 110 | 73.7 Ų | 73.7 | 58% | 0.576 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -92.7 | -45.9 | 172 | 168.5 | 75.4 | 0 | 0 | 0 | 110.3 | A26 E27 | A26-L34 HydrophobicContact CB-CD2 3.86Å; E27-L34 PolarHBondContact OE1-N 2.91Å; E27-L34 WeakPolarHBondContact OE2-CA 3.37Å; E27-L34 WeakPolarHBondContact OE2-CB 3.3Å; E27-L34 PolarHBondContact OE2-N 2.99Å |
| 35 | I | 94.4 | Very high | 95.2 | Very high | 54 Ų | 54 | 74.9 Ų | 74.9 | 28% | 0.277 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -75.3 | -39.4 | 175.7 | -69.3 | 163.7 | 0 | 0 | 0 | 110.4 | E27 D37 I40 Y41 I44 | E27-I35 HydrophobicContact CB-CD1 4.11Å; E27-I35 HydrophobicContact CG-CD1 4.17Å; E27-I35 VanDerWaalsContact OE2-CB 3.32Å; E27-I35 WeakPolarHBondContact OE2-CB 3.39Å; E27-I35 WeakPolarHBondContact OE2-CD1 3.21Å; E27-I35 WeakPolarHBondContact OE2-CG1 3.47Å; E27-I35 PolarHBondContact OE2-N 2.99Å; I35-D37 VanDerWaalsContact C-N 3.25Å; I35-D37 HydrophobicContact CG2-CB 4.36Å; I35-D37 PolarHBondContact O-N 3.4Å; I35-I40 HydrophobicContact CG2-CB 3.96Å; I35-I40 HydrophobicContact CG2-CG2 3.82Å; I35-Y41 HydrophobicContact CD1-CD2 4.26Å; I35-I44 HydrophobicContact CD1-CD1 4.03Å |
| 36 | G | 93.4 | Very high | 95.3 | Very high | 63 Ų | 63 | 66 Ų | 66 | 65% | 0.649 | 41% | 0.409 | S | S | * | . | trans | 77 | 5.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 37 | D | 95.6 | Very high | 95.4 | Very high | 71 Ų | 71 | 64.3 Ų | 64.3 | 38% | 0.38 | 40% | 0.395 | S | S | . | . | trans | -144.1 | 111.6 | 179.2 | -173.5 | -33.6 | 0 | 0 | 0 | 110.4 | I35 Q39 I40 Y41 | I35-D37 VanDerWaalsContact C-N 3.25Å; I35-D37 HydrophobicContact CG2-CB 4.36Å; I35-D37 PolarHBondContact O-N 3.4Å; D37-Q39 VanDerWaalsContact C-N 3.28Å; D37-Q39 PolarHBondContact O-N 3.24Å; D37-Q39 WeakPolarHBondContact OD1-CA 3.47Å; D37-Q39 VanDerWaalsContact OD1-CB 3.32Å; D37-Q39 WeakPolarHBondContact OD1-CB 3.43Å; D37-Q39 PolarHBondContact OD1-N 2.97Å; D37-I40 HydrophobicContact CB-CB 4.13Å; D37-I40 HydrophobicContact CB-CD1 3.89Å; D37-I40 HydrophobicContact CB-CG1 3.99Å; D37-I40 PolarHBondContact O-N 3.48Å; D37-I40 PolarHBondContact OD1-N 2.85Å; D37-Y41 PolarHBondContact O-N 3.12Å; D37-Y41 VanDerWaalsContact O-N 3.15Å | ||
| 38 | D | 95.5 | Very high | 95.5 | Very high | 133 Ų | 133 | 65.2 Ų | 65.2 | 71% | 0.711 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.8 | -31 | -178.3 | -64.9 | -18 | 0 | 0 | 0 | 112.5 | Y41 N42 | D38-Y41 WeakPolarHBondContact O-CB 3.28Å; D38-Y41 PolarHBondContact O-N 3.11Å; D38-N42 VanDerWaalsContact O-CG 3.26Å; D38-N42 PolarHBondContact O-N 2.71Å; D38-N42 PolarHBondContact O-ND2 3.46Å; D38-N42 VanDerWaalsContact O-ND2 3.16Å |
| 39 | Q | 97.6 | Very high | 95.5 | Very high | 50 Ų | 50 | 60.7 Ų | 60.7 | 23% | 0.234 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -70.1 | -43.4 | 178.2 | 176.2 | 63.4 | 10.1 | 0 | 0 | 110.5 | D37 Y41 N42 V43 N107 H125 | D37-Q39 VanDerWaalsContact C-N 3.28Å; D37-Q39 PolarHBondContact O-N 3.24Å; D37-Q39 WeakPolarHBondContact OD1-CA 3.47Å; D37-Q39 VanDerWaalsContact OD1-CB 3.32Å; D37-Q39 WeakPolarHBondContact OD1-CB 3.43Å; D37-Q39 PolarHBondContact OD1-N 2.97Å; Q39-Y41 VanDerWaalsContact C-N 3.27Å; Q39-Y41 PolarHBondContact O-N 3.47Å; Q39-N42 PolarHBondContact O-N 3.21Å; Q39-N42 VanDerWaalsContact O-N 3.13Å; Q39-V43 VanDerWaalsContact O-CG2 3.31Å; Q39-V43 WeakPolarHBondContact O-CG2 3.31Å; Q39-V43 PolarHBondContact O-N 2.75Å; Q39-N107 HydrophobicContact CG-CB 4.2Å; Q39-N107 WeakPolarHBondContact CG-O 3.33Å; Q39-N107 PolarHBondContact NE2-O 3.19Å; Q39-H125 PolarHBondContact NE2-NE2 2.77Å; Q39-H125 VanDerWaalsContact NE2-NE2 3.11Å |
| 40 | I | 97.9 | Very high | 95.6 | Very high | 84 Ų | 84 | 58 Ų | 58 | 43% | 0.431 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 174.9 | -66.3 | 179.1 | 0 | 0 | 0 | 110.2 | I35 D37 N42 V43 I44 | I35-I40 HydrophobicContact CG2-CB 3.96Å; I35-I40 HydrophobicContact CG2-CG2 3.82Å; D37-I40 HydrophobicContact CB-CB 4.13Å; D37-I40 HydrophobicContact CB-CD1 3.89Å; D37-I40 HydrophobicContact CB-CG1 3.99Å; D37-I40 PolarHBondContact O-N 3.48Å; D37-I40 PolarHBondContact OD1-N 2.85Å; I40-N42 PolarHBondContact O-N 2.78Å; I40-V43 PolarHBondContact O-N 3.38Å; I40-I44 HydrophobicContact CG2-CD1 3.92Å; I40-I44 HydrophobicContact CG2-CG1 4.45Å; I40-I44 VanDerWaalsContact O-CG1 3.3Å; I40-I44 WeakPolarHBondContact O-CG1 3.25Å; I40-I44 PolarHBondContact O-N 3.48Å |
| 41 | Y | 97.9 | Very high | 95.9 | Very high | 52 Ų | 52 | 52.4 Ų | 52.4 | 20% | 0.204 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.2 | -47.8 | 173.7 | 175.1 | -94.6 | 0 | 0 | 0 | 111.8 | I24 E27 L28 I35 D37 D38 Q39 V43 I44 V45 | I24-Y41 HydrophobicContact CB-CE2 4.46Å; I24-Y41 HydrophobicContact CG2-CE2 3.99Å; E27-Y41 HydrophobicContact CB-CD2 4.1Å; E27-Y41 HydrophobicContact CB-CE2 4.14Å; E27-Y41 HydrophobicContact CG-CD2 3.83Å; E27-Y41 HydrophobicContact CG-CE2 4.11Å; L28-Y41 WeakPolarHBondContact CD1-OH 3.48Å; L28-Y41 HydrophobicContact CG-CE2 4.41Å; I35-Y41 HydrophobicContact CD1-CD2 4.26Å; D37-Y41 PolarHBondContact O-N 3.12Å; D37-Y41 VanDerWaalsContact O-N 3.15Å; D38-Y41 WeakPolarHBondContact O-CB 3.28Å; D38-Y41 PolarHBondContact O-N 3.11Å; Q39-Y41 VanDerWaalsContact C-N 3.27Å; Q39-Y41 PolarHBondContact O-N 3.47Å; Y41-V43 VanDerWaalsContact C-N 3.33Å; Y41-V43 PolarHBondContact O-N 2.93Å; Y41-I44 PolarHBondContact O-N 3.24Å; Y41-V45 HydrophobicContact CD1-CG2 4.15Å; Y41-V45 HydrophobicContact CE1-CG2 3.7Å; Y41-V45 HydrophobicContact CE2-CG2 4.15Å; Y41-V45 WeakPolarHBondContact O-CG2 3.31Å; Y41-V45 PolarHBondContact O-N 2.84Å |
| 42 | N | 98.4 | Very high | 96.3 | Very high | 65 Ų | 65 | 48 Ų | 48 | 35% | 0.348 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63 | -36.7 | 178.4 | -69.8 | -32.2 | 0 | 0 | 0 | 113.1 | D38 Q39 I40 V45 T46 | D38-N42 VanDerWaalsContact O-CG 3.26Å; D38-N42 PolarHBondContact O-N 2.71Å; D38-N42 PolarHBondContact O-ND2 3.46Å; D38-N42 VanDerWaalsContact O-ND2 3.16Å; Q39-N42 PolarHBondContact O-N 3.21Å; Q39-N42 VanDerWaalsContact O-N 3.13Å; I40-N42 PolarHBondContact O-N 2.78Å; N42-V45 PolarHBondContact O-N 2.74Å; N42-T46 WeakPolarHBondContact O-CB 3.49Å; N42-T46 PolarHBondContact O-N 3.3Å; N42-T46 PolarHBondContact O-OG1 3.28Å |
| 43 | V | 98.7 | Very high | 96.7 | Very high | 12 Ų | 12 | 48.1 Ų | 48.1 | 7% | 0.073 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 174.6 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | Q39 I40 Y41 V45 T46 A47 N107 | Q39-V43 VanDerWaalsContact O-CG2 3.31Å; Q39-V43 WeakPolarHBondContact O-CG2 3.31Å; Q39-V43 PolarHBondContact O-N 2.75Å; I40-V43 PolarHBondContact O-N 3.38Å; Y41-V43 VanDerWaalsContact C-N 3.33Å; Y41-V43 PolarHBondContact O-N 2.93Å; V43-V45 PolarHBondContact O-N 3.48Å; V43-T46 PolarHBondContact O-N 2.74Å; V43-A47 WeakPolarHBondContact O-CB 3.29Å; V43-A47 PolarHBondContact O-N 3Å; V43-N107 WeakPolarHBondContact CG2-O 3.25Å |
| 44 | I | 98.6 | Very high | 97.4 | Very high | 24 Ų | 24 | 45.8 Ų | 45.8 | 12% | 0.123 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 176.7 | -68.2 | 168.9 | 0 | 0 | 0 | 110.6 | L20 L23 I24 I35 I40 Y41 T46 H48 | L20-I44 HydrophobicContact CB-CG2 3.97Å; L20-I44 HydrophobicContact CD2-CG2 4.09Å; L23-I44 HydrophobicContact CB-CG2 4.42Å; L23-I44 HydrophobicContact CD1-CD1 4.37Å; I24-I44 HydrophobicContact CD1-CG2 4.09Å; I24-I44 HydrophobicContact CG1-CG2 3.67Å; I35-I44 HydrophobicContact CD1-CD1 4.03Å; I40-I44 HydrophobicContact CG2-CD1 3.92Å; I40-I44 HydrophobicContact CG2-CG1 4.45Å; I40-I44 VanDerWaalsContact O-CG1 3.3Å; I40-I44 WeakPolarHBondContact O-CG1 3.25Å; I40-I44 PolarHBondContact O-N 3.48Å; Y41-I44 PolarHBondContact O-N 3.24Å; I44-T46 PolarHBondContact O-N 3.14Å; I44-H48 VanDerWaalsContact O-CB 3.23Å; I44-H48 WeakPolarHBondContact O-CB 3.31Å; I44-H48 PolarHBondContact O-N 3.33Å |
| 45 | V | 98.7 | Very high | 97.7 | Very high | 44 Ų | 44 | 40.5 Ų | 40.5 | 27% | 0.267 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.5 | -45.6 | 177.4 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | I24 Y41 N42 V43 H48 A49 | I24-V45 HydrophobicContact CD1-CB 4.36Å; I24-V45 HydrophobicContact CD1-CG2 3.82Å; I24-V45 HydrophobicContact CG1-CG2 3.88Å; I24-V45 HydrophobicContact CG2-CG2 4.37Å; Y41-V45 HydrophobicContact CD1-CG2 4.15Å; Y41-V45 HydrophobicContact CE1-CG2 3.7Å; Y41-V45 HydrophobicContact CE2-CG2 4.15Å; Y41-V45 WeakPolarHBondContact O-CG2 3.31Å; Y41-V45 PolarHBondContact O-N 2.84Å; N42-V45 PolarHBondContact O-N 2.74Å; V43-V45 PolarHBondContact O-N 3.48Å; V45-H48 PolarHBondContact O-N 2.89Å; V45-A49 PolarHBondContact O-N 3.47Å; V45-A49 VanDerWaalsContact O-N 3.11Å |
| 46 | T | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.4 | -49.2 | -179.6 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | N42 V43 I44 H48 A49 F50 A109 G112 | N42-T46 WeakPolarHBondContact O-CB 3.49Å; N42-T46 PolarHBondContact O-N 3.3Å; N42-T46 PolarHBondContact O-OG1 3.28Å; V43-T46 PolarHBondContact O-N 2.74Å; I44-T46 PolarHBondContact O-N 3.14Å; T46-H48 PolarHBondContact O-N 3.19Å; T46-A49 PolarHBondContact O-N 2.87Å; T46-F50 HydrophobicContact CG2-CD2 3.81Å; T46-F50 HydrophobicContact CG2-CE2 3.45Å; T46-F50 VanDerWaalsContact CG2-CE2 3.45Å; T46-F50 HydrophobicContact CG2-CZ 4.37Å; T46-F50 WeakPolarHBondContact O-CD2 3.44Å; T46-F50 PolarHBondContact O-N 3.4Å; T46-F50 VanDerWaalsContact O-N 3.13Å; T46-A109 VanDerWaalsContact CB-O 3.26Å; T46-A109 WeakPolarHBondContact CB-O 3.29Å; T46-A109 WeakPolarHBondContact CG2-O 3.49Å; T46-A109 PolarHBondContact OG1-O 3.14Å; T46-G112 VanDerWaalsContact OG1-CA 3.25Å; T46-G112 WeakPolarHBondContact OG1-CA 3.42Å; T46-G112 PolarHBondContact OG1-N 3.11Å |
| 47 | A | 98.7 | Very high | 98.2 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.033 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | L20 V43 A49 F50 I51 | L20-A47 HydrophobicContact CD1-CB 3.85Å; V43-A47 WeakPolarHBondContact O-CB 3.29Å; V43-A47 PolarHBondContact O-N 3Å; A47-A49 PolarHBondContact O-N 3.46Å; A47-F50 PolarHBondContact O-N 2.86Å; A47-I51 VanDerWaalsContact O-CB 3.32Å; A47-I51 WeakPolarHBondContact O-CB 3.49Å; A47-I51 WeakPolarHBondContact O-CG1 3.24Å; A47-I51 PolarHBondContact O-N 3.37Å |
| 48 | H | 98.8 | Very high | 98.3 | Very high | 41 Ų | 41 | 38.5 Ų | 38.5 | 19% | 0.19 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.6 | -53.6 | 175.1 | 169.5 | 67.7 | 0 | 0 | 0 | 111.4 | G17 L20 S21 I24 I44 V45 T46 F50 I51 M52 | G17-H48 PolarHBondContact O-ND1 3Å; L20-H48 HydrophobicContact CB-CB 3.91Å; L20-H48 HydrophobicContact CD1-CB 4.33Å; S21-H48 VanDerWaalsContact CB-CE1 3.43Å; S21-H48 WeakPolarHBondContact CB-CE1 3.29Å; I24-H48 HydrophobicContact CD1-CB 3.9Å; I44-H48 VanDerWaalsContact O-CB 3.23Å; I44-H48 WeakPolarHBondContact O-CB 3.31Å; I44-H48 PolarHBondContact O-N 3.33Å; V45-H48 PolarHBondContact O-N 2.89Å; T46-H48 PolarHBondContact O-N 3.19Å; H48-F50 PolarHBondContact O-N 3.37Å; H48-I51 PolarHBondContact O-N 2.83Å; H48-M52 WeakPolarHBondContact CE1-CG 3.5Å; H48-M52 VanDerWaalsContact O-CG 3.24Å; H48-M52 WeakPolarHBondContact O-CG 3.45Å; H48-M52 PolarHBondContact O-N 3.23Å |
| 49 | A | 98.7 | Very high | 98.4 | Very high | 19 Ų | 19 | 32.3 Ų | 32.3 | 16% | 0.157 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.2 | -46.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V45 T46 A47 M52 I53 W113 | V45-A49 PolarHBondContact O-N 3.47Å; V45-A49 VanDerWaalsContact O-N 3.11Å; T46-A49 PolarHBondContact O-N 2.87Å; A47-A49 PolarHBondContact O-N 3.46Å; A49-M52 PolarHBondContact O-N 2.84Å; A49-I53 WeakPolarHBondContact O-CG1 3.2Å; A49-I53 PolarHBondContact O-N 3.18Å; A49-I53 VanDerWaalsContact O-N 3.13Å; A49-W113 HydrophobicContact CB-CB 3.5Å; A49-W113 VanDerWaalsContact CB-CB 3.5Å; A49-W113 HydrophobicContact CB-CG 4.05Å |
| 50 | F | 98.6 | Very high | 98.5 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.8 | -44.3 | 177.7 | -71.9 | -41.2 | 0 | 0 | 0 | 112.8 | T46 A47 H48 M52 I53 F54 L99 W113 V115 L137 | T46-F50 HydrophobicContact CG2-CD2 3.81Å; T46-F50 HydrophobicContact CG2-CE2 3.45Å; T46-F50 VanDerWaalsContact CG2-CE2 3.45Å; T46-F50 HydrophobicContact CG2-CZ 4.37Å; T46-F50 WeakPolarHBondContact O-CD2 3.44Å; T46-F50 PolarHBondContact O-N 3.4Å; T46-F50 VanDerWaalsContact O-N 3.13Å; A47-F50 PolarHBondContact O-N 2.86Å; H48-F50 PolarHBondContact O-N 3.37Å; F50-M52 PolarHBondContact O-N 2.98Å; F50-I53 PolarHBondContact O-N 3.13Å; F50-F54 AromaticContact CD1-CD2 3.91Å; F50-F54 HydrophobicContact CD1-CD2 3.91Å; F50-F54 AromaticContact CD1-CE2 3.85Å; F50-F54 HydrophobicContact CD1-CE2 3.85Å; F50-F54 HydrophobicContact CE1-CE2 4.3Å; F50-F54 WeakPolarHBondContact O-CB 3.36Å; F50-F54 PolarHBondContact O-N 3.41Å; F50-L99 HydrophobicContact CB-CD1 4.21Å; F50-L99 HydrophobicContact CB-CD2 3.64Å; F50-L99 HydrophobicContact CD2-CD1 3.81Å; F50-L99 HydrophobicContact CG-CD1 4.43Å; F50-W113 HydrophobicContact CD1-CB 4.43Å; F50-W113 HydrophobicContact CE1-CB 4.08Å; F50-W113 WeakPolarHBondContact CE1-O 3.5Å; F50-W113 HydrophobicContact CZ-CB 4.33Å; F50-W113 WeakPolarHBondContact CZ-O 3.38Å; F50-V115 HydrophobicContact CE2-CG2 4.26Å; F50-V115 HydrophobicContact CZ-CG2 3.57Å; F50-L137 HydrophobicContact CD1-CD1 4.45Å; F50-L137 HydrophobicContact CD1-CD2 3.8Å; F50-L137 HydrophobicContact CE1-CD1 3.79Å; F50-L137 HydrophobicContact CE1-CD2 3.95Å; F50-L137 HydrophobicContact CE1-CG 4.42Å; F50-L137 HydrophobicContact CE2-CD1 4.49Å; F50-L137 HydrophobicContact CG-CD2 4.32Å; F50-L137 HydrophobicContact CZ-CD1 3.8Å |
| 51 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -59.7 | -48.5 | 178 | -71 | 171.1 | 0 | 0 | 0 | 110.8 | A13 V16 L20 A47 H48 I53 F55 M56 L96 L99 L100 | A13-I51 HydrophobicContact CB-CG2 4.28Å; A13-I51 WeakPolarHBondContact O-CG2 3.16Å; V16-I51 HydrophobicContact CG1-CD1 3.9Å; L20-I51 HydrophobicContact CD1-CD1 3.88Å; A47-I51 VanDerWaalsContact O-CB 3.32Å; A47-I51 WeakPolarHBondContact O-CB 3.49Å; A47-I51 WeakPolarHBondContact O-CG1 3.24Å; A47-I51 PolarHBondContact O-N 3.37Å; H48-I51 PolarHBondContact O-N 2.83Å; I51-I53 PolarHBondContact O-N 3.48Å; I51-F55 CarbonylContact O-C 3.34Å; I51-F55 VanDerWaalsContact O-CA 3.32Å; I51-F55 WeakPolarHBondContact O-CA 3.12Å; I51-F55 WeakPolarHBondContact O-CB 3.25Å; I51-F55 PolarHBondContact O-N 2.9Å; I51-M56 PolarHBondContact O-N 3.35Å; I51-L96 HydrophobicContact CD1-CD1 4.43Å; I51-L96 HydrophobicContact CG1-CD1 4.03Å; I51-L99 HydrophobicContact CG1-CD2 3.7Å; I51-L100 HydrophobicContact CD1-CD2 4.16Å |
| 52 | M | 98.8 | Very high | 98.4 | Very high | 41 Ų | 41 | 31.3 Ų | 31.3 | 20% | 0.202 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -64.7 | -40.5 | -176.3 | -65.9 | -56.7 | -77.6 | 0 | 0 | 112.1 | H48 A49 F50 M56 V57 | H48-M52 WeakPolarHBondContact CE1-CG 3.5Å; H48-M52 VanDerWaalsContact O-CG 3.24Å; H48-M52 WeakPolarHBondContact O-CG 3.45Å; H48-M52 PolarHBondContact O-N 3.23Å; A49-M52 PolarHBondContact O-N 2.84Å; F50-M52 PolarHBondContact O-N 2.98Å; M52-M56 HydrophobicContact CE-CE 3.34Å; M52-M56 HydrophobicContact CE-SD 3.6Å; M52-M56 VanDerWaalsContact CE-SD 3.6Å; M52-M56 WeakPolarHBondContact O-CB 3.42Å; M52-M56 HydrophobicContact SD-CE 4.16Å; M52-M56 HydrophobicContact SD-SD 3.94Å; M52-V57 WeakPolarHBondContact O-CB 3.48Å; M52-V57 VanDerWaalsContact O-CG2 3.31Å; M52-V57 WeakPolarHBondContact O-CG2 3.46Å; M52-V57 PolarHBondContact O-N 3.44Å |
| 53 | I | 98 | Very high | 98.4 | Very high | 66 Ų | 66 | 28.5 Ų | 28.5 | 34% | 0.338 | 15% | 0.153 | S | C | . | . | I | π-helix | trans | -81.1 | -59.5 | -177.1 | -64.6 | 172.6 | 0 | 0 | 0 | 111 | A49 F50 I51 M58 W113 | A49-I53 WeakPolarHBondContact O-CG1 3.2Å; A49-I53 PolarHBondContact O-N 3.18Å; A49-I53 VanDerWaalsContact O-N 3.13Å; F50-I53 PolarHBondContact O-N 3.13Å; I51-I53 PolarHBondContact O-N 3.48Å; I53-M58 HydrophobicContact CG2-CE 3.8Å; I53-M58 PolarHBondContact O-N 3.04Å; I53-M58 VanDerWaalsContact O-N 3.09Å; I53-W113 HydrophobicContact CD1-CE3 4.35Å; I53-W113 HydrophobicContact CD1-CZ3 4.36Å |
| 54 | F | 98.2 | Very high | 98.4 | Very high | 23 Ų | 23 | 27.9 Ų | 27.9 | 10% | 0.101 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -84.7 | -22.7 | -169.3 | -65.1 | -88.6 | 0 | 0 | 0 | 114 | F50 M58 P59 L137 A140 L189 | F50-F54 AromaticContact CD1-CD2 3.91Å; F50-F54 HydrophobicContact CD1-CD2 3.91Å; F50-F54 AromaticContact CD1-CE2 3.85Å; F50-F54 HydrophobicContact CD1-CE2 3.85Å; F50-F54 HydrophobicContact CE1-CE2 4.3Å; F50-F54 WeakPolarHBondContact O-CB 3.36Å; F50-F54 PolarHBondContact O-N 3.41Å; F54-M58 HydrophobicContact CB-CE 4.04Å; F54-M58 HydrophobicContact CD1-CE 3.08Å; F54-M58 HydrophobicContact CD2-CE 4.41Å; F54-M58 HydrophobicContact CE1-CE 3.49Å; F54-M58 VanDerWaalsContact CE1-CE 3.49Å; F54-M58 HydrophobicContact CG-CE 3.6Å; F54-M58 HydrophobicContact CZ-CE 4.31Å; F54-P59 VanDerWaalsContact O-CD 3.24Å; F54-P59 WeakPolarHBondContact O-CD 3.3Å; F54-P59 VanDerWaalsContact O-CG 3.31Å; F54-P59 WeakPolarHBondContact O-CG 3.27Å; F54-L137 HydrophobicContact CD1-CD2 4.35Å; F54-L137 HydrophobicContact CD2-CD2 3.89Å; F54-L137 HydrophobicContact CE1-CD2 4.43Å; F54-L137 HydrophobicContact CE2-CD2 3.95Å; F54-L137 HydrophobicContact CG-CD2 4.12Å; F54-L137 HydrophobicContact CZ-CD2 4.23Å; F54-A140 HydrophobicContact CB-CB 4.47Å; F54-L189 HydrophobicContact CZ-CD2 4.37Å |
| 55 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -116.1 | -15.1 | -174.1 | -60.1 | -79.5 | 0 | 0 | 0 | 114.2 | F9 G10 A13 I51 P59 A95 L96 L99 S136 A140 | F9-F55 HydrophobicContact CE1-CB 4.29Å; F9-F55 AromaticContact CE1-CD1 3.98Å; F9-F55 HydrophobicContact CE1-CD1 3.98Å; F9-F55 AromaticContact CZ-CD1 3.82Å; F9-F55 HydrophobicContact CZ-CD1 3.82Å; G10-F55 WeakPolarHBondContact CA-O 3.33Å; A13-F55 HydrophobicContact CB-CB 3.87Å; A13-F55 WeakPolarHBondContact CB-O 3.45Å; I51-F55 CarbonylContact O-C 3.34Å; I51-F55 VanDerWaalsContact O-CA 3.32Å; I51-F55 WeakPolarHBondContact O-CA 3.12Å; I51-F55 WeakPolarHBondContact O-CB 3.25Å; I51-F55 PolarHBondContact O-N 2.9Å; F55-P59 WeakPolarHBondContact O-CG 3.41Å; F55-A95 HydrophobicContact CE1-CB 3.68Å; F55-A95 HydrophobicContact CZ-CB 3.89Å; F55-L96 HydrophobicContact CB-CD1 4.33Å; F55-L96 HydrophobicContact CD1-CB 3.77Å; F55-L96 HydrophobicContact CD1-CD1 4.19Å; F55-L96 HydrophobicContact CD1-CG 4.41Å; F55-L96 HydrophobicContact CD2-CD1 4.22Å; F55-L96 HydrophobicContact CE1-CB 3.78Å; F55-L96 HydrophobicContact CG-CB 4.41Å; F55-L96 HydrophobicContact CG-CD1 3.97Å; F55-L96 HydrophobicContact CZ-CB 4.45Å; F55-L99 HydrophobicContact CD2-CD2 3.99Å; F55-L99 HydrophobicContact CE2-CD2 3.69Å; F55-S136 WeakPolarHBondContact CZ-OG 3.45Å; F55-A140 HydrophobicContact CE1-CB 4.36Å; F55-A140 HydrophobicContact CZ-CB 4.11Å |
| 56 | M | 98.7 | Very high | 98.4 | Very high | 40 Ų | 40 | 28.4 Ų | 28.4 | 20% | 0.197 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -111.7 | -69 | 173.1 | -174.5 | -165.3 | 77.7 | 0 | 0 | 112.2 | G14 I51 M52 I60 | G14-M56 VanDerWaalsContact CA-SD 3.55Å; I51-M56 PolarHBondContact O-N 3.35Å; M52-M56 HydrophobicContact CE-CE 3.34Å; M52-M56 HydrophobicContact CE-SD 3.6Å; M52-M56 VanDerWaalsContact CE-SD 3.6Å; M52-M56 WeakPolarHBondContact O-CB 3.42Å; M52-M56 HydrophobicContact SD-CE 4.16Å; M52-M56 HydrophobicContact SD-SD 3.94Å; M56-I60 HydrophobicContact CG-CD1 3.77Å; M56-I60 VanDerWaalsContact O-CB 3.31Å; M56-I60 WeakPolarHBondContact O-CB 3.47Å; M56-I60 VanDerWaalsContact O-CG1 3.24Å; M56-I60 WeakPolarHBondContact O-CG1 3.35Å; M56-I60 PolarHBondContact O-N 3.01Å |
| 57 | V | 98.5 | Very high | 98.4 | Very high | 71 Ų | 71 | 29.1 Ų | 29.1 | 43% | 0.43 | 15% | 0.151 | S | C | . | . | I | π-helix | trans | -61 | -54.2 | -171.5 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | M52 I60 M61 | M52-V57 WeakPolarHBondContact O-CB 3.48Å; M52-V57 VanDerWaalsContact O-CG2 3.31Å; M52-V57 WeakPolarHBondContact O-CG2 3.46Å; M52-V57 PolarHBondContact O-N 3.44Å; V57-I60 PolarHBondContact O-N 3.31Å; V57-M61 HydrophobicContact CG1-CG 4.27Å; V57-M61 VanDerWaalsContact O-CB 3.28Å; V57-M61 WeakPolarHBondContact O-CB 3.43Å; V57-M61 WeakPolarHBondContact O-CG 3.41Å; V57-M61 PolarHBondContact O-N 3.12Å |
| 58 | M | 97.8 | Very high | 98.3 | Very high | 34 Ų | 34 | 34.9 Ų | 34.9 | 17% | 0.167 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.2 | -47.8 | -178.9 | -76.9 | -169.7 | -76.9 | 0 | 0 | 112.6 | I53 F54 I60 I62 G63 L182 | I53-M58 HydrophobicContact CG2-CE 3.8Å; I53-M58 PolarHBondContact O-N 3.04Å; I53-M58 VanDerWaalsContact O-N 3.09Å; F54-M58 HydrophobicContact CB-CE 4.04Å; F54-M58 HydrophobicContact CD1-CE 3.08Å; F54-M58 HydrophobicContact CD2-CE 4.41Å; F54-M58 HydrophobicContact CE1-CE 3.49Å; F54-M58 VanDerWaalsContact CE1-CE 3.49Å; F54-M58 HydrophobicContact CG-CE 3.6Å; F54-M58 HydrophobicContact CZ-CE 4.31Å; M58-I60 PolarHBondContact O-N 3Å; M58-I62 WeakPolarHBondContact O-CB 3.38Å; M58-I62 PolarHBondContact O-N 3.44Å; M58-G63 PolarHBondContact O-N 3.44Å; M58-L182 HydrophobicContact SD-CD2 4.21Å |
| 59 | P | 98.4 | Very high | 98.3 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -59.8 | -39.9 | 175.2 | -33.2 | 42.7 | 0 | 0 | 0 | 114.4 | Y6 F9 F54 F55 G63 G64 L92 | Y6-P59 HydrophobicContact CD1-CB 3.98Å; F9-P59 HydrophobicContact CD1-CB 4.29Å; F9-P59 HydrophobicContact CE1-CG 4.38Å; F54-P59 VanDerWaalsContact O-CD 3.24Å; F54-P59 WeakPolarHBondContact O-CD 3.3Å; F54-P59 VanDerWaalsContact O-CG 3.31Å; F54-P59 WeakPolarHBondContact O-CG 3.27Å; F55-P59 WeakPolarHBondContact O-CG 3.41Å; P59-G63 CarbonylContact O-C 3.3Å; P59-G63 VanDerWaalsContact O-C 3.3Å; P59-G63 WeakPolarHBondContact O-CA 3.44Å; P59-G63 PolarHBondContact O-N 3.26Å; P59-G64 PolarHBondContact O-N 2.87Å; P59-L92 HydrophobicContact CB-CD1 4.05Å; P59-L92 HydrophobicContact CG-CD1 3.73Å |
| 60 | I | 98.6 | Very high | 98.3 | Very high | 38 Ų | 38 | 34.5 Ų | 34.5 | 20% | 0.195 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -73.3 | -51 | 179.8 | -69.2 | 176.1 | 0 | 0 | 0 | 111 | F7 M56 V57 M58 G64 F65 | F7-I60 HydrophobicContact CD1-CG2 4.03Å; F7-I60 HydrophobicContact CE1-CG2 3.85Å; M56-I60 HydrophobicContact CG-CD1 3.77Å; M56-I60 VanDerWaalsContact O-CB 3.31Å; M56-I60 WeakPolarHBondContact O-CB 3.47Å; M56-I60 VanDerWaalsContact O-CG1 3.24Å; M56-I60 WeakPolarHBondContact O-CG1 3.35Å; M56-I60 PolarHBondContact O-N 3.01Å; V57-I60 PolarHBondContact O-N 3.31Å; M58-I60 PolarHBondContact O-N 3Å; I60-G64 WeakPolarHBondContact O-CA 3.35Å; I60-G64 PolarHBondContact O-N 3.44Å; I60-F65 HydrophobicContact CG2-CD2 4.3Å; I60-F65 HydrophobicContact CG2-CE2 4.09Å; I60-F65 WeakPolarHBondContact O-CD2 3.42Å; I60-F65 PolarHBondContact O-N 3.33Å |
| 61 | M | 97.9 | Very high | 98.2 | Very high | 96 Ų | 96 | 34.9 Ų | 34.9 | 47% | 0.473 | 17% | 0.171 | S | C | . | . | I | π-helix | trans | -75.5 | -47.1 | -170.5 | -64.1 | -57.4 | -65 | 0 | 0 | 112.4 | V57 F65 G66 | V57-M61 HydrophobicContact CG1-CG 4.27Å; V57-M61 VanDerWaalsContact O-CB 3.28Å; V57-M61 WeakPolarHBondContact O-CB 3.43Å; V57-M61 WeakPolarHBondContact O-CG 3.41Å; V57-M61 PolarHBondContact O-N 3.12Å; M61-F65 HydrophobicContact SD-CD2 4.04Å; M61-F65 HydrophobicContact SD-CE2 4.21Å; M61-G66 PolarHBondContact O-N 3.28Å |
| 62 | I | 97.4 | Very high | 98.2 | Very high | 30 Ų | 30 | 40.5 Ų | 40.5 | 15% | 0.154 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -94.6 | -46.3 | -176.8 | -56.1 | -56.7 | 0 | 0 | 0 | 110.3 | M58 G66 F151 T178 L182 | M58-I62 WeakPolarHBondContact O-CB 3.38Å; M58-I62 PolarHBondContact O-N 3.44Å; I62-G66 VanDerWaalsContact O-CA 3.25Å; I62-G66 WeakPolarHBondContact O-CA 3.49Å; I62-G66 PolarHBondContact O-N 3.13Å; I62-F151 HydrophobicContact CG2-CD2 4.23Å; I62-F151 HydrophobicContact CG2-CE2 3.76Å; I62-F151 VanDerWaalsContact O-CZ 3.25Å; I62-F151 WeakPolarHBondContact O-CZ 3.38Å; I62-T178 HydrophobicContact CD1-CG2 3.64Å; I62-T178 HydrophobicContact CG1-CG2 4.08Å; I62-L182 HydrophobicContact CG2-CD1 4.49Å |
| 63 | G | 97.4 | Very high | 98.2 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 6% | 0.062 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -67.8 | -54.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y6 M58 P59 N67 | Y6-G63 WeakPolarHBondContact CD2-O 3.28Å; Y6-G63 VanDerWaalsContact CG-C 3.49Å; M58-G63 PolarHBondContact O-N 3.44Å; P59-G63 CarbonylContact O-C 3.3Å; P59-G63 VanDerWaalsContact O-C 3.3Å; P59-G63 WeakPolarHBondContact O-CA 3.44Å; P59-G63 PolarHBondContact O-N 3.26Å; G63-N67 WeakPolarHBondContact O-CB 3.37Å; G63-N67 PolarHBondContact O-N 3.43Å; G63-N67 PolarHBondContact O-ND2 3.12Å |
| 64 | G | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -75 | -69.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G3 P59 I60 G66 N67 W68 | G3-G64 WeakPolarHBondContact O-CA 3.48Å; P59-G64 PolarHBondContact O-N 2.87Å; I60-G64 WeakPolarHBondContact O-CA 3.35Å; I60-G64 PolarHBondContact O-N 3.44Å; G64-G66 VanDerWaalsContact C-N 3.34Å; G64-G66 PolarHBondContact O-N 3.47Å; G64-N67 PolarHBondContact O-N 2.92Å; G64-W68 WeakPolarHBondContact O-CB 3.3Å; G64-W68 PolarHBondContact O-N 3.5Å |
| 65 | F | 98.6 | Very high | 98.1 | Very high | 79 Ų | 79 | 40.3 Ų | 40.3 | 35% | 0.346 | 21% | 0.214 | S | C | . | . | I | π-helix | trans | -62.5 | -40.8 | -179.3 | -74.7 | -65.6 | 0 | 0 | 0 | 112 | F7 I60 M61 W68 L69 F171 | F7-F65 HydrophobicContact CE1-CD1 4.24Å; F7-F65 AromaticContact CE1-CD2 3.76Å; F7-F65 HydrophobicContact CE1-CD2 3.76Å; F7-F65 HydrophobicContact CE1-CE1 4.22Å; F7-F65 AromaticContact CE1-CE2 3.75Å; F7-F65 HydrophobicContact CE1-CE2 3.75Å; F7-F65 HydrophobicContact CE1-CG 4.01Å; F7-F65 AromaticContact CE1-CZ 3.98Å; F7-F65 HydrophobicContact CE1-CZ 3.98Å; F7-F65 HydrophobicContact CZ-CB 4.26Å; F7-F65 AromaticContact CZ-CD1 3.58Å; F7-F65 HydrophobicContact CZ-CD1 3.58Å; F7-F65 AromaticContact CZ-CD2 3.89Å; F7-F65 HydrophobicContact CZ-CD2 3.89Å; F7-F65 AromaticContact CZ-CE1 3.77Å; F7-F65 HydrophobicContact CZ-CE1 3.77Å; F7-F65 HydrophobicContact CZ-CE2 4.08Å; F7-F65 AromaticContact CZ-CG 3.63Å; F7-F65 HydrophobicContact CZ-CG 3.63Å; F7-F65 HydrophobicContact CZ-CZ 4.02Å; F7-F65 VanDerWaalsContact CZ-N 3.26Å; I60-F65 HydrophobicContact CG2-CD2 4.3Å; I60-F65 HydrophobicContact CG2-CE2 4.09Å; I60-F65 WeakPolarHBondContact O-CD2 3.42Å; I60-F65 PolarHBondContact O-N 3.33Å; M61-F65 HydrophobicContact SD-CD2 4.04Å; M61-F65 HydrophobicContact SD-CE2 4.21Å; F65-W68 PolarHBondContact O-N 3.23Å; F65-L69 HydrophobicContact CB-CD1 4.37Å; F65-L69 HydrophobicContact CD1-CD1 3.78Å; F65-L69 HydrophobicContact CD1-CG 4.46Å; F65-L69 VanDerWaalsContact O-CB 3.28Å; F65-L69 WeakPolarHBondContact O-CB 3.28Å; F65-L69 PolarHBondContact O-N 3.21Å; F65-F171 HydrophobicContact CB-CE2 4.29Å; F65-F171 HydrophobicContact CB-CZ 3.77Å |
| 66 | G | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -58.1 | -54.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | M61 I62 G64 W68 V70 | M61-G66 PolarHBondContact O-N 3.28Å; I62-G66 VanDerWaalsContact O-CA 3.25Å; I62-G66 WeakPolarHBondContact O-CA 3.49Å; I62-G66 PolarHBondContact O-N 3.13Å; G64-G66 VanDerWaalsContact C-N 3.34Å; G64-G66 PolarHBondContact O-N 3.47Å; G66-W68 VanDerWaalsContact C-N 3.28Å; G66-W68 PolarHBondContact O-N 2.84Å; G66-V70 WeakPolarHBondContact O-CB 3.24Å; G66-V70 VanDerWaalsContact O-CG2 3.29Å; G66-V70 WeakPolarHBondContact O-CG2 3.37Å; G66-V70 PolarHBondContact O-N 3.3Å |
| 67 | N | 98.4 | Very high | 97.9 | Very high | 17 Ų | 17 | 45 Ų | 45 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69 | -25.9 | -178.2 | -76.9 | -68.6 | 0 | 0 | 0 | 114 | G63 G64 N85 | G63-N67 WeakPolarHBondContact O-CB 3.37Å; G63-N67 PolarHBondContact O-N 3.43Å; G63-N67 PolarHBondContact O-ND2 3.12Å; G64-N67 PolarHBondContact O-N 2.92Å; N67-N85 PolarHBondContact OD1-ND2 2.96Å; N67-N85 PolarHBondContact OD1-OD1 3.41Å |
| 68 | W | 97.3 | Very high | 97.8 | Very high | 126 Ų | 126 | 45.3 Ų | 45.3 | 48% | 0.477 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -79.9 | -51.6 | 177.1 | -161.6 | -41.9 | 0 | 0 | 0 | 111.3 | F7 G64 F65 G66 L72 | F7-W68 AromaticContact CD2-CE3 3.79Å; F7-W68 HydrophobicContact CD2-CE3 3.79Å; F7-W68 AromaticContact CD2-CZ3 3.96Å; F7-W68 HydrophobicContact CD2-CZ3 3.96Å; F7-W68 HydrophobicContact CE2-CD2 4.41Å; F7-W68 AromaticContact CE2-CE3 3.52Å; F7-W68 HydrophobicContact CE2-CE3 3.52Å; F7-W68 HydrophobicContact CE2-CZ3 4.03Å; G64-W68 WeakPolarHBondContact O-CB 3.3Å; G64-W68 PolarHBondContact O-N 3.5Å; F65-W68 PolarHBondContact O-N 3.23Å; G66-W68 VanDerWaalsContact C-N 3.28Å; G66-W68 PolarHBondContact O-N 2.84Å; W68-L72 VanDerWaalsContact O-CD1 3.3Å; W68-L72 WeakPolarHBondContact O-CD1 3.37Å; W68-L72 WeakPolarHBondContact O-CG 3.43Å |
| 69 | L | 98.4 | Very high | 97.8 | Very high | 51 Ų | 51 | 43.9 Ų | 43.9 | 27% | 0.267 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -92.2 | -32.4 | -165.6 | -60.4 | 179.3 | 0 | 0 | 0 | 113.6 | F65 L72 M73 F171 | F65-L69 HydrophobicContact CB-CD1 4.37Å; F65-L69 HydrophobicContact CD1-CD1 3.78Å; F65-L69 HydrophobicContact CD1-CG 4.46Å; F65-L69 VanDerWaalsContact O-CB 3.28Å; F65-L69 WeakPolarHBondContact O-CB 3.28Å; F65-L69 PolarHBondContact O-N 3.21Å; L69-L72 PolarHBondContact O-N 3.42Å; L69-M73 HydrophobicContact CB-CE 4.08Å; L69-M73 HydrophobicContact CB-SD 4.35Å; L69-M73 HydrophobicContact CD1-CE 4.17Å; L69-M73 VanDerWaalsContact O-CB 3.31Å; L69-M73 WeakPolarHBondContact O-CB 3.24Å; L69-M73 VanDerWaalsContact O-CG 3.27Å; L69-M73 WeakPolarHBondContact O-CG 3.5Å; L69-M73 PolarHBondContact O-N 2.76Å; L69-F171 HydrophobicContact CB-CD1 4.19Å; L69-F171 HydrophobicContact CB-CE1 3.73Å; L69-F171 HydrophobicContact CD1-CD1 4.49Å; L69-F171 HydrophobicContact CD1-CE1 4.13Å; L69-F171 HydrophobicContact CD1-CZ 4.32Å |
| 70 | V | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.2 | -50.8 | -174.2 | 171.9 | 0 | 0 | 0 | 0 | 112.2 | G66 L72 M73 L74 F151 V155 F171 V172 V175 | G66-V70 WeakPolarHBondContact O-CB 3.24Å; G66-V70 VanDerWaalsContact O-CG2 3.29Å; G66-V70 WeakPolarHBondContact O-CG2 3.37Å; G66-V70 PolarHBondContact O-N 3.3Å; V70-L72 VanDerWaalsContact C-N 3.32Å; V70-L72 PolarHBondContact O-N 2.99Å; V70-M73 PolarHBondContact O-N 3.44Å; V70-L74 HydrophobicContact CG1-CD1 3.99Å; V70-L74 WeakPolarHBondContact O-CG 3.45Å; V70-L74 PolarHBondContact O-N 2.94Å; V70-L74 VanDerWaalsContact O-N 3.13Å; V70-F151 HydrophobicContact CB-CD1 4.48Å; V70-F151 HydrophobicContact CB-CE1 4.4Å; V70-F151 HydrophobicContact CG1-CD1 4.47Å; V70-F151 HydrophobicContact CG2-CD1 4.35Å; V70-F151 HydrophobicContact CG2-CE1 4.27Å; V70-V155 HydrophobicContact CG1-CG2 3.67Å; V70-F171 HydrophobicContact CG2-CE1 4.04Å; V70-V172 HydrophobicContact CG1-CG1 4.41Å; V70-V175 HydrophobicContact CG2-CB 4.14Å; V70-V175 HydrophobicContact CG2-CG1 4.04Å; V70-V175 HydrophobicContact CG2-CG2 4.04Å |
| 71 | P | 97.9 | Very high | 97.7 | Very high | 10 Ų | 10 | 47.1 Ų | 47.1 | 7% | 0.065 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 177.7 | -25.9 | 36.4 | 0 | 0 | 0 | 112.3 | M73 L74 G75 A76 M79 | P71-M73 PolarHBondContact O-N 3.32Å; P71-L74 PolarHBondContact O-N 3.13Å; P71-G75 PolarHBondContact O-N 3.42Å; P71-A76 HydrophobicContact CB-CB 4.22Å; P71-A76 PolarHBondContact O-N 3.38Å; P71-M79 HydrophobicContact CG-CG 4.09Å; P71-M79 HydrophobicContact CG-SD 3.44Å; P71-M79 WeakPolarHBondContact CG-SD 3.25Å |
| 72 | L | 97.8 | Very high | 97.7 | Very high | 119 Ų | 119 | 45.4 Ų | 45.4 | 62% | 0.623 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61.6 | -45.4 | -179.5 | -63.4 | 178.9 | 0 | 0 | 0 | 112.1 | W68 L69 V70 L74 G75 | W68-L72 VanDerWaalsContact O-CD1 3.3Å; W68-L72 WeakPolarHBondContact O-CD1 3.37Å; W68-L72 WeakPolarHBondContact O-CG 3.43Å; L69-L72 PolarHBondContact O-N 3.42Å; V70-L72 VanDerWaalsContact C-N 3.32Å; V70-L72 PolarHBondContact O-N 2.99Å; L72-L74 PolarHBondContact O-N 3.46Å; L72-G75 PolarHBondContact O-N 2.89Å; L72-G75 VanDerWaalsContact O-N 3.17Å |
| 73 | M | 98.2 | Very high | 97.7 | Very high | 70 Ų | 70 | 54.8 Ų | 54.8 | 35% | 0.345 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.5 | -22 | 179.6 | -74.7 | -176.6 | -179.8 | 0 | 0 | 113.3 | L69 V70 P71 P169 F171 V172 | L69-M73 HydrophobicContact CB-CE 4.08Å; L69-M73 HydrophobicContact CB-SD 4.35Å; L69-M73 HydrophobicContact CD1-CE 4.17Å; L69-M73 VanDerWaalsContact O-CB 3.31Å; L69-M73 WeakPolarHBondContact O-CB 3.24Å; L69-M73 VanDerWaalsContact O-CG 3.27Å; L69-M73 WeakPolarHBondContact O-CG 3.5Å; L69-M73 PolarHBondContact O-N 2.76Å; V70-M73 PolarHBondContact O-N 3.44Å; P71-M73 PolarHBondContact O-N 3.32Å; M73-P169 HydrophobicContact CB-CG 4.22Å; M73-P169 HydrophobicContact SD-CB 4.25Å; M73-F171 HydrophobicContact CE-CB 4.42Å; M73-F171 HydrophobicContact CE-CD1 4.17Å; M73-F171 HydrophobicContact SD-CB 4.07Å; M73-F171 HydrophobicContact SD-CD1 3.68Å; M73-F171 HydrophobicContact SD-CG 4.28Å; M73-V172 HydrophobicContact CB-CG2 3.73Å; M73-V172 HydrophobicContact SD-CG2 4.07Å |
| 74 | L | 97.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -92.1 | -11.6 | 174.4 | -68 | -177.9 | 0 | 0 | 0 | 113.6 | V70 P71 L72 A76 V155 R159 S160 I163 M168 V172 | V70-L74 HydrophobicContact CG1-CD1 3.99Å; V70-L74 WeakPolarHBondContact O-CG 3.45Å; V70-L74 PolarHBondContact O-N 2.94Å; V70-L74 VanDerWaalsContact O-N 3.13Å; P71-L74 PolarHBondContact O-N 3.13Å; L72-L74 PolarHBondContact O-N 3.46Å; L74-A76 VanDerWaalsContact C-N 3.26Å; L74-A76 HydrophobicContact CB-CB 4.41Å; L74-V155 HydrophobicContact CD1-CB 4.2Å; L74-V155 HydrophobicContact CD1-CG1 4.31Å; L74-V155 HydrophobicContact CD1-CG2 3.93Å; L74-R159 HydrophobicContact CD1-CG 4.3Å; L74-R159 HydrophobicContact CD2-CG 3.86Å; L74-S160 WeakPolarHBondContact O-CB 3.33Å; L74-S160 PolarHBondContact O-N 3.41Å; L74-S160 PolarHBondContact O-OG 3.28Å; L74-I163 HydrophobicContact CD2-CG2 4.48Å; L74-M168 HydrophobicContact CD2-CG 4.41Å; L74-M168 HydrophobicContact CD2-SD 4.37Å; L74-V172 HydrophobicContact CD1-CG1 4.42Å; L74-V172 HydrophobicContact CD2-CG1 4.04Å; L74-V172 HydrophobicContact CD2-CG2 4.47Å; L74-V172 HydrophobicContact CG-CG1 4.34Å |
| 75 | G | 96.9 | Very high | 97.7 | Very high | 55 Ų | 55 | 57.7 Ų | 57.7 | 57% | 0.567 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 23.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P71 L72 | P71-G75 PolarHBondContact O-N 3.42Å; L72-G75 PolarHBondContact O-N 2.89Å; L72-G75 VanDerWaalsContact O-N 3.17Å |
| 76 | A | 97.3 | Very high | 97.7 | Very high | 10 Ų | 10 | 57.1 Ų | 57.1 | 8% | 0.083 | 30% | 0.301 | C | S | . | . | trans | -81.9 | 142.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | P71 L74 D78 M158 | P71-A76 HydrophobicContact CB-CB 4.22Å; P71-A76 PolarHBondContact O-N 3.38Å; L74-A76 VanDerWaalsContact C-N 3.26Å; L74-A76 HydrophobicContact CB-CB 4.41Å; A76-D78 VanDerWaalsContact C-N 3.34Å; A76-M158 HydrophobicContact CB-CB 3.94Å; A76-M158 HydrophobicContact CB-CE 4.46Å; A76-M158 WeakPolarHBondContact CB-O 3.47Å | ||
| 77 | P | 95.7 | Very high | 97.7 | Very high | 129 Ų | 129 | 62 Ų | 62 | 84% | 0.838 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -69.2 | -31.1 | 178.7 | 26.9 | -34.4 | 0 | 0 | 0 | 113.3 | M158 | P77-M158 HydrophobicContact CG-CE 4.32Š|
| 78 | D | 95.9 | Very high | 97.7 | Very high | 77 Ų | 77 | 61.3 Ų | 61.3 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -161.6 | -177.5 | 177.1 | -162.4 | -1.3 | 0 | 0 | 0 | 108.8 | A76 P82 M158 | A76-D78 VanDerWaalsContact C-N 3.34Å; D78-P82 WeakPolarHBondContact OD2-CB 3.07Å; D78-P82 VanDerWaalsContact OD2-CG 3.28Å; D78-P82 WeakPolarHBondContact OD2-CG 3.48Å; D78-M158 WeakPolarHBondContact O-CE 3.46Å |
| 79 | M | 97.9 | Very high | 97.8 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.025 | 30% | 0.301 | C | S | . | . | trans | -68.2 | 155.5 | 167.4 | -60.3 | -65.2 | -69.2 | 0 | 0 | 112 | P71 F81 P82 N150 F151 T154 | P71-M79 HydrophobicContact CG-CG 4.09Å; P71-M79 HydrophobicContact CG-SD 3.44Å; P71-M79 WeakPolarHBondContact CG-SD 3.25Å; M79-F81 VanDerWaalsContact C-N 3.32Å; M79-F81 PolarHBondContact O-N 3.09Å; M79-P82 WeakPolarHBondContact O-CD 3.37Å; M79-P82 WeakPolarHBondContact O-CG 3.38Å; M79-N150 HydrophobicContact CE-CB 4.41Å; M79-N150 WeakPolarHBondContact CE-ND2 3.22Å; M79-F151 HydrophobicContact CE-CD1 3.44Å; M79-F151 VanDerWaalsContact CE-CD1 3.44Å; M79-F151 HydrophobicContact CE-CE1 3.51Å; M79-F151 HydrophobicContact CE-CG 4.12Å; M79-F151 HydrophobicContact CE-CZ 4.28Å; M79-F151 HydrophobicContact SD-CD1 4.46Å; M79-F151 HydrophobicContact SD-CE1 4.22Å; M79-T154 HydrophobicContact CE-CG2 4.45Å; M79-T154 HydrophobicContact SD-CG2 4.04Å | ||
| 80 | A | 97.9 | Very high | 97.8 | Very high | 30 Ų | 30 | 60.2 Ų | 60.2 | 25% | 0.248 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -62.5 | -36.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P82 N150 T153 T154 M158 | A80-P82 WeakPolarHBondContact O-CD 3.33Å; A80-N150 PolarHBondContact N-OD1 3.28Å; A80-T153 HydrophobicContact CB-CG2 3.72Å; A80-T154 WeakPolarHBondContact CB-OG1 3.36Å; A80-T154 PolarHBondContact N-OG1 2.87Å; A80-M158 WeakPolarHBondContact CA-SD 3.49Å; A80-M158 HydrophobicContact CB-SD 3.67Å; A80-M158 PolarHBondContact N-SD 3.07Å |
| 81 | F | 98.4 | Very high | 97.8 | Very high | 79 Ų | 79 | 61.6 Ų | 61.6 | 35% | 0.346 | 32% | 0.321 | S | S | . | . | trans | -124.1 | 76.6 | 179.6 | -52 | -54.9 | 0 | 0 | 0 | 111.7 | M79 R83 M84 N85 V149 N150 T153 | M79-F81 VanDerWaalsContact C-N 3.32Å; M79-F81 PolarHBondContact O-N 3.09Å; F81-R83 VanDerWaalsContact C-N 3.32Å; F81-R83 PolarHBondContact O-N 3.42Å; F81-M84 HydrophobicContact CB-CB 3.69Å; F81-M84 HydrophobicContact CB-SD 4.34Å; F81-M84 HydrophobicContact CD2-CE 4.24Å; F81-M84 HydrophobicContact CD2-SD 4.11Å; F81-M84 HydrophobicContact CG-CE 4.42Å; F81-M84 PolarHBondContact O-N 3.18Å; F81-N85 PolarHBondContact O-N 3.26Å; F81-V149 HydrophobicContact CE2-CG1 4.24Å; F81-N150 HydrophobicContact CD2-CB 4.28Å; F81-N150 PolarHBondContact N-OD1 3.21Å; F81-T153 HydrophobicContact CE2-CG2 3.71Å; F81-T153 WeakPolarHBondContact CE2-OG1 3.47Å; F81-T153 HydrophobicContact CZ-CG2 3.67Å | ||
| 82 | P | 97.6 | Very high | 97.8 | Very high | 60 Ų | 60 | 61.2 Ų | 61.2 | 39% | 0.39 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.1 | -36.6 | -173.4 | -26.3 | 35.7 | 0 | 0 | 0 | 114.2 | D78 M79 A80 N85 N86 | D78-P82 WeakPolarHBondContact OD2-CB 3.07Å; D78-P82 VanDerWaalsContact OD2-CG 3.28Å; D78-P82 WeakPolarHBondContact OD2-CG 3.48Å; M79-P82 WeakPolarHBondContact O-CD 3.37Å; M79-P82 WeakPolarHBondContact O-CG 3.38Å; A80-P82 WeakPolarHBondContact O-CD 3.33Å; P82-N85 VanDerWaalsContact O-CB 3.28Å; P82-N85 WeakPolarHBondContact O-CB 3.49Å; P82-N85 PolarHBondContact O-N 2.85Å; P82-N86 PolarHBondContact O-N 3.15Å |
| 83 | R | 98.1 | Very high | 97.9 | Very high | 228 Ų | 228 | 57.3 Ų | 57.3 | 86% | 0.86 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -72.1 | -39.3 | 178.2 | -66.2 | -176 | -177 | 175.5 | 1.1 | 112.7 | F81 N85 N86 M87 | F81-R83 VanDerWaalsContact C-N 3.32Å; F81-R83 PolarHBondContact O-N 3.42Å; R83-N85 PolarHBondContact O-N 3.36Å; R83-N86 PolarHBondContact O-N 2.93Å; R83-M87 PolarHBondContact O-N 3.3Å |
| 84 | M | 97.7 | Very high | 97.9 | Very high | 61 Ų | 61 | 56.8 Ų | 56.8 | 30% | 0.3 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 173.1 | -174.9 | -174.1 | -68.1 | 0 | 0 | 110.3 | F81 M87 S88 L146 V149 | F81-M84 HydrophobicContact CB-CB 3.69Å; F81-M84 HydrophobicContact CB-SD 4.34Å; F81-M84 HydrophobicContact CD2-CE 4.24Å; F81-M84 HydrophobicContact CD2-SD 4.11Å; F81-M84 HydrophobicContact CG-CE 4.42Å; F81-M84 PolarHBondContact O-N 3.18Å; M84-M87 PolarHBondContact O-N 2.88Å; M84-S88 WeakPolarHBondContact O-CB 3.32Å; M84-S88 PolarHBondContact O-N 3.43Å; M84-L146 HydrophobicContact CG-CB 3.95Å; M84-L146 HydrophobicContact CG-CD2 3.91Å; M84-L146 HydrophobicContact CG-CG 4.33Å; M84-L146 HydrophobicContact SD-CB 4.37Å; M84-L146 HydrophobicContact SD-CD2 4Å; M84-V149 HydrophobicContact SD-CG1 4.48Å |
| 85 | N | 98.1 | Very high | 98 | Very high | 6 Ų | 6 | 56.8 Ų | 56.8 | 3% | 0.032 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 174.6 | -158.2 | 32.9 | 0 | 0 | 0 | 112.8 | N67 F81 P82 R83 S88 F89 N150 | N67-N85 PolarHBondContact OD1-ND2 2.96Å; N67-N85 PolarHBondContact OD1-OD1 3.41Å; F81-N85 PolarHBondContact O-N 3.26Å; P82-N85 VanDerWaalsContact O-CB 3.28Å; P82-N85 WeakPolarHBondContact O-CB 3.49Å; P82-N85 PolarHBondContact O-N 2.85Å; R83-N85 PolarHBondContact O-N 3.36Å; N85-S88 WeakPolarHBondContact O-CB 3.03Å; N85-S88 PolarHBondContact O-N 3.21Å; N85-F89 PolarHBondContact O-N 3Å; N85-N150 WeakPolarHBondContact CB-ND2 3.37Å |
| 86 | N | 98.2 | Very high | 98.1 | Very high | 66 Ų | 66 | 54.4 Ų | 54.4 | 35% | 0.353 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 175 | -174.4 | 48.1 | 0 | 0 | 0 | 111.1 | I2 P82 R83 S88 F89 W90 | I2-N86 HydrophobicContact CD1-CB 4.06Å; I2-N86 WeakPolarHBondContact CD1-OD1 3.36Å; P82-N86 PolarHBondContact O-N 3.15Å; R83-N86 PolarHBondContact O-N 2.93Å; N86-S88 VanDerWaalsContact C-N 3.34Å; N86-S88 PolarHBondContact O-N 3.03Å; N86-F89 PolarHBondContact O-N 3.2Å; N86-W90 PolarHBondContact O-N 3.47Å; N86-W90 VanDerWaalsContact O-N 3.08Å; N86-W90 PolarHBondContact OD1-NE1 3Å |
| 87 | M | 98.2 | Very high | 98.1 | Very high | 103 Ų | 103 | 57.1 Ų | 57.1 | 51% | 0.507 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 175.9 | -178.3 | 178.2 | 177 | 0 | 0 | 112.2 | R83 M84 F89 W90 L91 L146 | R83-M87 PolarHBondContact O-N 3.3Å; M84-M87 PolarHBondContact O-N 2.88Å; M87-F89 VanDerWaalsContact C-N 3.29Å; M87-F89 PolarHBondContact O-N 3.18Å; M87-W90 PolarHBondContact O-N 3.37Å; M87-W90 VanDerWaalsContact O-N 3.17Å; M87-L91 HydrophobicContact CE-CD1 4.4Å; M87-L91 HydrophobicContact CG-CD1 4.41Å; M87-L91 WeakPolarHBondContact O-CG 3.32Å; M87-L91 PolarHBondContact O-N 3.07Å; M87-L146 HydrophobicContact CE-CD1 4.3Å; M87-L146 HydrophobicContact CG-CD1 4.1Å; M87-L146 HydrophobicContact SD-CD1 4.05Å |
| 88 | S | 98.3 | Very high | 98.3 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -53.1 | -46.9 | 175.9 | 168.8 | 0 | 0 | 0 | 0 | 110.9 | Y6 M84 N85 N86 S143 | Y6-S88 VanDerWaalsContact OH-C 3.27Å; Y6-S88 PolarHBondContact OH-OG 2.69Å; M84-S88 WeakPolarHBondContact O-CB 3.32Å; M84-S88 PolarHBondContact O-N 3.43Å; N85-S88 WeakPolarHBondContact O-CB 3.03Å; N85-S88 PolarHBondContact O-N 3.21Å; N86-S88 VanDerWaalsContact C-N 3.34Å; N86-S88 PolarHBondContact O-N 3.03Å; S88-S143 WeakPolarHBondContact CB-O 3.34Å; S88-S143 WeakPolarHBondContact O-CB 3.25Å; S88-S143 PolarHBondContact O-OG 3.16Å; S88-S143 PolarHBondContact OG-O 3.22Å |
| 89 | F | 98.8 | Very high | 98.4 | Very high | 11 Ų | 11 | 49.7 Ų | 49.7 | 5% | 0.048 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.7 | -49.2 | 175.4 | 171.7 | -100.3 | 0 | 0 | 0 | 112.6 | I2 L5 Y6 F9 N85 N86 M87 L91 L92 P93 | I2-F89 HydrophobicContact CG2-CB 4.13Å; L5-F89 VanDerWaalsContact C-CE2 3.45Å; L5-F89 HydrophobicContact CB-CD1 4.25Å; L5-F89 HydrophobicContact CB-CD2 4.06Å; L5-F89 HydrophobicContact CB-CE1 3.86Å; L5-F89 HydrophobicContact CB-CE2 3.64Å; L5-F89 HydrophobicContact CB-CG 4.35Å; L5-F89 HydrophobicContact CB-CZ 3.55Å; L5-F89 HydrophobicContact CD1-CD1 4.06Å; L5-F89 HydrophobicContact CD1-CE1 3.85Å; L5-F89 HydrophobicContact CD1-CZ 4.39Å; L5-F89 HydrophobicContact CG-CE1 4.37Å; L5-F89 HydrophobicContact CG-CZ 4.42Å; L5-F89 WeakPolarHBondContact O-CE2 3.13Å; Y6-F89 AromaticContact CD1-CD2 3.97Å; Y6-F89 HydrophobicContact CD1-CD2 3.97Å; Y6-F89 HydrophobicContact CD2-CB 4.36Å; Y6-F89 HydrophobicContact CD2-CD2 4.05Å; Y6-F89 HydrophobicContact CE1-CB 4.47Å; Y6-F89 HydrophobicContact CE1-CD2 4.11Å; Y6-F89 HydrophobicContact CE2-CB 3.74Å; Y6-F89 HydrophobicContact CE2-CD2 4.17Å; Y6-F89 HydrophobicContact CE2-CG 4.42Å; Y6-F89 AromaticContact CG-CD2 3.94Å; Y6-F89 HydrophobicContact CG-CD2 3.94Å; Y6-F89 WeakPolarHBondContact OH-CA 3.24Å; Y6-F89 PolarHBondContact OH-N 3.1Å; Y6-F89 VanDerWaalsContact OH-N 3.12Å; F9-F89 HydrophobicContact CB-CE2 3.9Å; F9-F89 HydrophobicContact CB-CZ 4.37Å; F9-F89 HydrophobicContact CG-CE2 4.39Å; N85-F89 PolarHBondContact O-N 3Å; N86-F89 PolarHBondContact O-N 3.2Å; M87-F89 VanDerWaalsContact C-N 3.29Å; M87-F89 PolarHBondContact O-N 3.18Å; F89-L91 PolarHBondContact O-N 3.3Å; F89-L91 VanDerWaalsContact O-N 3.1Å; F89-L92 WeakPolarHBondContact O-CB 3.36Å; F89-L92 PolarHBondContact O-N 3.48Å; F89-P93 VanDerWaalsContact O-CD 3.29Å; F89-P93 WeakPolarHBondContact O-CD 3.42Å |
| 90 | W | 98.7 | Very high | 98.4 | Very high | 143 Ų | 143 | 51.8 Ų | 51.8 | 54% | 0.542 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.9 | -10.8 | -172.1 | -78.1 | 110.8 | 0 | 0 | 0 | 115 | N86 M87 P93 P94 | N86-W90 PolarHBondContact O-N 3.47Å; N86-W90 VanDerWaalsContact O-N 3.08Å; N86-W90 PolarHBondContact OD1-NE1 3Å; M87-W90 PolarHBondContact O-N 3.37Å; M87-W90 VanDerWaalsContact O-N 3.17Å; W90-P93 HydrophobicContact CE3-CG 4.4Å; W90-P94 WeakPolarHBondContact O-CD 3.38Å |
| 91 | L | 98.7 | Very high | 98.5 | Very high | 29 Ų | 29 | 53.1 Ų | 53.1 | 15% | 0.152 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -20.5 | 169.3 | -70.2 | 171.2 | 0 | 0 | 0 | 113.2 | M87 F89 P94 A95 L139 I142 L146 | M87-L91 HydrophobicContact CE-CD1 4.4Å; M87-L91 HydrophobicContact CG-CD1 4.41Å; M87-L91 WeakPolarHBondContact O-CG 3.32Å; M87-L91 PolarHBondContact O-N 3.07Å; F89-L91 PolarHBondContact O-N 3.3Å; F89-L91 VanDerWaalsContact O-N 3.1Å; L91-P94 WeakPolarHBondContact O-CD 3.45Å; L91-P94 WeakPolarHBondContact O-CG 3.31Å; L91-A95 VanDerWaalsContact O-CB 3.24Å; L91-A95 WeakPolarHBondContact O-CB 3.42Å; L91-A95 PolarHBondContact O-N 2.85Å; L91-L139 HydrophobicContact CD2-CD2 4.27Å; L91-I142 HydrophobicContact CD1-CB 4.13Å; L91-I142 HydrophobicContact CD1-CG2 3.57Å; L91-L146 HydrophobicContact CD1-CD1 4.06Å |
| 92 | L | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73 | -43.6 | -177.4 | -66.2 | -178.5 | 0 | 0 | 0 | 114.6 | Y6 F9 P59 F89 A95 L96 A140 | Y6-L92 HydrophobicContact CD1-CD1 3.9Å; Y6-L92 HydrophobicContact CE1-CD1 3.43Å; Y6-L92 VanDerWaalsContact CE1-CD1 3.43Å; F9-L92 HydrophobicContact CD1-CB 4.33Å; F9-L92 HydrophobicContact CD1-CD1 4.12Å; F9-L92 HydrophobicContact CE1-CB 3.74Å; F9-L92 HydrophobicContact CE1-CD1 3.96Å; F9-L92 HydrophobicContact CE1-CG 4.42Å; F9-L92 HydrophobicContact CE2-CB 4.36Å; F9-L92 HydrophobicContact CZ-CB 3.74Å; P59-L92 HydrophobicContact CB-CD1 4.05Å; P59-L92 HydrophobicContact CG-CD1 3.73Å; F89-L92 WeakPolarHBondContact O-CB 3.36Å; F89-L92 PolarHBondContact O-N 3.48Å; L92-A95 WeakPolarHBondContact O-CB 3.38Å; L92-A95 PolarHBondContact O-N 2.88Å; L92-L96 PolarHBondContact O-N 2.89Å; L92-A140 HydrophobicContact CD2-CB 4.37Å |
| 93 | P | 98.8 | Very high | 98.4 | Very high | 37 Ų | 37 | 48.1 Ų | 48.1 | 24% | 0.24 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.9 | -46.5 | 176.3 | -25.1 | 34.3 | 0 | 0 | 0 | 115.1 | F9 F89 W90 A95 L96 S97 | F9-P93 HydrophobicContact CD2-CG 4.36Å; F9-P93 HydrophobicContact CE2-CB 4.5Å; F9-P93 HydrophobicContact CE2-CG 4.26Å; F89-P93 VanDerWaalsContact O-CD 3.29Å; F89-P93 WeakPolarHBondContact O-CD 3.42Å; W90-P93 HydrophobicContact CE3-CG 4.4Å; P93-A95 VanDerWaalsContact C-N 3.35Å; P93-L96 PolarHBondContact O-N 3.45Å; P93-S97 WeakPolarHBondContact O-CB 3.49Å; P93-S97 PolarHBondContact O-N 3.35Å; P93-S97 PolarHBondContact O-OG 3.36Å |
| 94 | P | 98.8 | Very high | 98.3 | Very high | 58 Ų | 58 | 44 Ų | 44 | 38% | 0.377 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68 | -35.1 | 174.3 | 25.3 | -31.8 | 0 | 0 | 0 | 111.9 | W90 L91 S97 L98 L139 | W90-P94 WeakPolarHBondContact O-CD 3.38Å; L91-P94 WeakPolarHBondContact O-CD 3.45Å; L91-P94 WeakPolarHBondContact O-CG 3.31Å; P94-S97 WeakPolarHBondContact O-CB 3.45Å; P94-S97 PolarHBondContact O-N 3.25Å; P94-L98 WeakPolarHBondContact O-CG 3.42Å; P94-L98 PolarHBondContact O-N 3.02Å; P94-L139 HydrophobicContact CB-CD1 4.29Å; P94-L139 HydrophobicContact CG-CD1 4.39Å |
| 95 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.4 | -47.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | F55 L91 L92 P93 S97 L98 L99 S136 L139 A140 | F55-A95 HydrophobicContact CE1-CB 3.68Å; F55-A95 HydrophobicContact CZ-CB 3.89Å; L91-A95 VanDerWaalsContact O-CB 3.24Å; L91-A95 WeakPolarHBondContact O-CB 3.42Å; L91-A95 PolarHBondContact O-N 2.85Å; L92-A95 WeakPolarHBondContact O-CB 3.38Å; L92-A95 PolarHBondContact O-N 2.88Å; P93-A95 VanDerWaalsContact C-N 3.35Å; A95-S97 VanDerWaalsContact C-N 3.34Å; A95-S97 PolarHBondContact O-N 3.02Å; A95-L98 PolarHBondContact O-N 3.31Å; A95-L99 PolarHBondContact O-N 3.47Å; A95-L99 VanDerWaalsContact O-N 3.12Å; A95-S136 VanDerWaalsContact O-CB 3.26Å; A95-S136 WeakPolarHBondContact O-CB 3.24Å; A95-S136 PolarHBondContact O-OG 3.45Å; A95-L139 HydrophobicContact CB-CB 3.62Å; A95-L139 HydrophobicContact CB-CD1 4.41Å; A95-A140 HydrophobicContact CB-CB 4.42Å |
| 96 | L | 98.8 | Very high | 98.1 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 177.4 | -179 | 55.6 | 0 | 0 | 0 | 111.5 | F9 W12 A13 I51 F55 L92 P93 L98 L99 L100 | F9-L96 HydrophobicContact CE2-CB 4.27Å; F9-L96 HydrophobicContact CE2-CD2 3.74Å; F9-L96 HydrophobicContact CZ-CB 3.92Å; F9-L96 HydrophobicContact CZ-CD2 3.66Å; F9-L96 HydrophobicContact CZ-CG 4.45Å; W12-L96 HydrophobicContact CE3-CD2 4.08Å; W12-L96 HydrophobicContact CZ3-CD2 3.7Å; A13-L96 HydrophobicContact CB-CD2 3.96Å; I51-L96 HydrophobicContact CD1-CD1 4.43Å; I51-L96 HydrophobicContact CG1-CD1 4.03Å; F55-L96 HydrophobicContact CB-CD1 4.33Å; F55-L96 HydrophobicContact CD1-CB 3.77Å; F55-L96 HydrophobicContact CD1-CD1 4.19Å; F55-L96 HydrophobicContact CD1-CG 4.41Å; F55-L96 HydrophobicContact CD2-CD1 4.22Å; F55-L96 HydrophobicContact CE1-CB 3.78Å; F55-L96 HydrophobicContact CG-CB 4.41Å; F55-L96 HydrophobicContact CG-CD1 3.97Å; F55-L96 HydrophobicContact CZ-CB 4.45Å; L92-L96 PolarHBondContact O-N 2.89Å; P93-L96 PolarHBondContact O-N 3.45Å; L96-L98 VanDerWaalsContact C-N 3.32Å; L96-L98 PolarHBondContact O-N 3.34Å; L96-L99 HydrophobicContact CD1-CD2 4.49Å; L96-L99 PolarHBondContact O-N 3.23Å; L96-L99 VanDerWaalsContact O-N 3.16Å; L96-L100 HydrophobicContact CD1-CD1 4.46Å; L96-L100 HydrophobicContact CD1-CG 4.24Å; L96-L100 HydrophobicContact CG-CD1 4.25Å; L96-L100 HydrophobicContact CG-CG 4.46Å; L96-L100 WeakPolarHBondContact O-CG 3.27Å; L96-L100 PolarHBondContact O-N 3.12Å |
| 97 | S | 98.6 | Very high | 98 | Very high | 67 Ų | 67 | 52.7 Ų | 52.7 | 47% | 0.469 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.2 | -45.3 | 174.6 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | P93 P94 A95 L99 L100 V101 | P93-S97 WeakPolarHBondContact O-CB 3.49Å; P93-S97 PolarHBondContact O-N 3.35Å; P93-S97 PolarHBondContact O-OG 3.36Å; P94-S97 WeakPolarHBondContact O-CB 3.45Å; P94-S97 PolarHBondContact O-N 3.25Å; A95-S97 VanDerWaalsContact C-N 3.34Å; A95-S97 PolarHBondContact O-N 3.02Å; S97-L99 VanDerWaalsContact C-N 3.32Å; S97-L99 PolarHBondContact O-N 2.92Å; S97-L100 PolarHBondContact O-N 3.18Å; S97-V101 WeakPolarHBondContact O-CB 3.4Å; S97-V101 VanDerWaalsContact O-CG2 3.25Å; S97-V101 WeakPolarHBondContact O-CG2 3.48Å; S97-V101 PolarHBondContact O-N 3.22Å |
| 98 | L | 98.8 | Very high | 97.9 | Very high | 47 Ų | 47 | 47.8 Ų | 47.8 | 25% | 0.246 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.9 | -39.4 | 176.3 | -72.1 | 170.8 | 0 | 0 | 0 | 112.4 | P94 A95 L96 S102 L132 F135 L139 | P94-L98 WeakPolarHBondContact O-CG 3.42Å; P94-L98 PolarHBondContact O-N 3.02Å; A95-L98 PolarHBondContact O-N 3.31Å; L96-L98 VanDerWaalsContact C-N 3.32Å; L96-L98 PolarHBondContact O-N 3.34Å; L98-S102 WeakPolarHBondContact O-CB 3.36Å; L98-S102 PolarHBondContact O-N 3.37Å; L98-L132 HydrophobicContact CD2-CD2 3.82Å; L98-F135 HydrophobicContact CD1-CB 3.96Å; L98-L139 HydrophobicContact CD1-CD1 3.69Å; L98-L139 HydrophobicContact CD1-CG 4.49Å |
| 99 | L | 98.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.7 | -41.6 | 176.6 | 179.3 | 63.4 | 0 | 0 | 0 | 112.3 | F50 I51 F55 A95 L96 S97 S102 S103 S136 | F50-L99 HydrophobicContact CB-CD1 4.21Å; F50-L99 HydrophobicContact CB-CD2 3.64Å; F50-L99 HydrophobicContact CD2-CD1 3.81Å; F50-L99 HydrophobicContact CG-CD1 4.43Å; I51-L99 HydrophobicContact CG1-CD2 3.7Å; F55-L99 HydrophobicContact CD2-CD2 3.99Å; F55-L99 HydrophobicContact CE2-CD2 3.69Å; A95-L99 PolarHBondContact O-N 3.47Å; A95-L99 VanDerWaalsContact O-N 3.12Å; L96-L99 HydrophobicContact CD1-CD2 4.49Å; L96-L99 PolarHBondContact O-N 3.23Å; L96-L99 VanDerWaalsContact O-N 3.16Å; S97-L99 VanDerWaalsContact C-N 3.32Å; S97-L99 PolarHBondContact O-N 2.92Å; L99-S102 WeakPolarHBondContact O-CB 3.28Å; L99-S102 PolarHBondContact O-N 3.23Å; L99-S103 PolarHBondContact O-N 3.4Å; L99-S103 PolarHBondContact O-OG 3.1Å; L99-S103 VanDerWaalsContact O-OG 3.05Å; L99-S136 WeakPolarHBondContact CB-OG 3.4Å |
| 100 | L | 98.4 | Very high | 97.8 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 26% | 0.262 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.9 | -43.8 | 177.6 | -65.3 | 176.8 | 0 | 0 | 0 | 110.6 | V16 I51 L96 S97 S102 S103 M104 | V16-L100 HydrophobicContact CG1-CD2 4.46Å; I51-L100 HydrophobicContact CD1-CD2 4.16Å; L96-L100 HydrophobicContact CD1-CD1 4.46Å; L96-L100 HydrophobicContact CD1-CG 4.24Å; L96-L100 HydrophobicContact CG-CD1 4.25Å; L96-L100 HydrophobicContact CG-CG 4.46Å; L96-L100 WeakPolarHBondContact O-CG 3.27Å; L96-L100 PolarHBondContact O-N 3.12Å; S97-L100 PolarHBondContact O-N 3.18Å; L100-S102 VanDerWaalsContact C-N 3.33Å; L100-S102 PolarHBondContact O-N 3.01Å; L100-S103 WeakPolarHBondContact O-CB 3.34Å; L100-S103 PolarHBondContact O-N 3.37Å; L100-S103 VanDerWaalsContact O-N 3.07Å; L100-M104 WeakPolarHBondContact O-CE 3.28Å; L100-M104 WeakPolarHBondContact O-CG 3.19Å; L100-M104 PolarHBondContact O-N 3.41Å |
| 101 | V | 98.6 | Very high | 97.8 | Very high | 57 Ų | 57 | 41.2 Ų | 41.2 | 35% | 0.345 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.4 | -39 | 175.4 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | S97 S103 M104 V105 L132 | S97-V101 WeakPolarHBondContact O-CB 3.4Å; S97-V101 VanDerWaalsContact O-CG2 3.25Å; S97-V101 WeakPolarHBondContact O-CG2 3.48Å; S97-V101 PolarHBondContact O-N 3.22Å; V101-S103 PolarHBondContact O-N 2.98Å; V101-S103 VanDerWaalsContact O-N 3.14Å; V101-M104 HydrophobicContact CB-CE 4.5Å; V101-M104 HydrophobicContact CG2-CE 4.09Å; V101-M104 PolarHBondContact O-N 3.44Å; V101-V105 HydrophobicContact CG1-CG2 3.63Å; V101-V105 WeakPolarHBondContact O-CG2 3.37Å; V101-V105 PolarHBondContact O-N 2.91Å; V101-L132 HydrophobicContact CG1-CD1 3.86Å |
| 102 | S | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -53.4 | -32.3 | 171.6 | 167.3 | 0 | 0 | 0 | 0 | 112.5 | L98 L99 L100 G108 A109 S129 A133 | L98-S102 WeakPolarHBondContact O-CB 3.36Å; L98-S102 PolarHBondContact O-N 3.37Å; L99-S102 WeakPolarHBondContact O-CB 3.28Å; L99-S102 PolarHBondContact O-N 3.23Å; L100-S102 VanDerWaalsContact C-N 3.33Å; L100-S102 PolarHBondContact O-N 3.01Å; S102-G108 VanDerWaalsContact O-CA 3.28Å; S102-G108 WeakPolarHBondContact O-CA 3.23Å; S102-A109 PolarHBondContact O-N 3.48Å; S102-A109 WeakPolarHBondContact OG-CB 3.35Å; S102-S129 VanDerWaalsContact CB-O 3.32Å; S102-S129 WeakPolarHBondContact CB-O 3.45Å; S102-S129 VanDerWaalsContact O-CB 3.3Å; S102-S129 WeakPolarHBondContact O-CB 3.41Å; S102-S129 PolarHBondContact OG-O 2.89Å; S102-A133 WeakPolarHBondContact OG-CB 3.37Å |
| 103 | S | 96.8 | Very high | 97.6 | Very high | 35 Ų | 35 | 45.1 Ų | 45.1 | 25% | 0.245 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -81.2 | -15.6 | 178.5 | -52.9 | 0 | 0 | 0 | 0 | 113.7 | L99 L100 V101 | L99-S103 PolarHBondContact O-N 3.4Å; L99-S103 PolarHBondContact O-OG 3.1Å; L99-S103 VanDerWaalsContact O-OG 3.05Å; L100-S103 WeakPolarHBondContact O-CB 3.34Å; L100-S103 PolarHBondContact O-N 3.37Å; L100-S103 VanDerWaalsContact O-N 3.07Å; V101-S103 PolarHBondContact O-N 2.98Å; V101-S103 VanDerWaalsContact O-N 3.14Å |
| 104 | M | 96.4 | Very high | 97.5 | Very high | 141 Ų | 141 | 44.2 Ų | 44.2 | 70% | 0.695 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -109 | -16.5 | -175.1 | -63.9 | -176.6 | -68.6 | 0 | 0 | 113.7 | L100 V101 | L100-M104 WeakPolarHBondContact O-CE 3.28Å; L100-M104 WeakPolarHBondContact O-CG 3.19Å; L100-M104 PolarHBondContact O-N 3.41Å; V101-M104 HydrophobicContact CB-CE 4.5Å; V101-M104 HydrophobicContact CG2-CE 4.09Å; V101-M104 PolarHBondContact O-N 3.44Å |
| 105 | V | 96.6 | Very high | 97.5 | Very high | 45 Ų | 45 | 41.6 Ų | 41.6 | 27% | 0.273 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -93.8 | 137.1 | -179.1 | 168.6 | 0 | 0 | 0 | 0 | 109.7 | V101 N107 G108 S129 L132 | V101-V105 HydrophobicContact CG1-CG2 3.63Å; V101-V105 WeakPolarHBondContact O-CG2 3.37Å; V101-V105 PolarHBondContact O-N 2.91Å; V105-N107 PolarHBondContact O-N 2.84Å; V105-G108 PolarHBondContact O-N 3.15Å; V105-G108 VanDerWaalsContact O-N 3.07Å; V105-S129 WeakPolarHBondContact O-CB 3.31Å; V105-L132 HydrophobicContact CB-CD1 4.33Å; V105-L132 HydrophobicContact CG1-CD1 4.49Å; V105-L132 HydrophobicContact CG2-CD1 4.34Å |
| 106 | E | 94.9 | Very high | 97.4 | Very high | 141 Ų | 141 | 44.3 Ų | 44.3 | 66% | 0.659 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | -135.6 | -175.3 | -53.7 | -58.3 | 155.9 | 0 | 0 | 111.2 | G108 | E106-G108 VanDerWaalsContact C-N 3.26Å; E106-G108 PolarHBondContact O-N 2.94Å |
| 107 | N | 94.3 | Very high | 97.3 | Very high | 129 Ų | 129 | 44.4 Ų | 44.4 | 69% | 0.69 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 14.5 | 177 | -66 | -29.4 | 0 | 0 | 0 | 113.4 | Q39 V43 V105 | Q39-N107 HydrophobicContact CG-CB 4.2Å; Q39-N107 WeakPolarHBondContact CG-O 3.33Å; Q39-N107 PolarHBondContact NE2-O 3.19Å; V43-N107 WeakPolarHBondContact CG2-O 3.25Å; V105-N107 PolarHBondContact O-N 2.84Å |
| 108 | G | 97.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | trans | 68.4 | 171.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S102 V105 E106 G110 S129 | S102-G108 VanDerWaalsContact O-CA 3.28Å; S102-G108 WeakPolarHBondContact O-CA 3.23Å; V105-G108 PolarHBondContact O-N 3.15Å; V105-G108 VanDerWaalsContact O-N 3.07Å; E106-G108 VanDerWaalsContact C-N 3.26Å; E106-G108 PolarHBondContact O-N 2.94Å; G108-G110 PolarHBondContact O-N 2.94Å; G108-S129 VanDerWaalsContact C-OG 3.23Å; G108-S129 WeakPolarHBondContact O-CB 3.38Å; G108-S129 PolarHBondContact O-OG 3.47Å | ||
| 109 | A | 97.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 3% | 0.033 | 25% | 0.251 | C | S | . | . | trans | -87.3 | 82.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | T46 S102 T111 V130 A133 | T46-A109 VanDerWaalsContact CB-O 3.26Å; T46-A109 WeakPolarHBondContact CB-O 3.29Å; T46-A109 WeakPolarHBondContact CG2-O 3.49Å; T46-A109 PolarHBondContact OG1-O 3.14Å; S102-A109 PolarHBondContact O-N 3.48Å; S102-A109 WeakPolarHBondContact OG-CB 3.35Å; A109-T111 VanDerWaalsContact C-N 3.31Å; A109-T111 PolarHBondContact O-N 3.37Å; A109-V130 HydrophobicContact CB-CG2 4.35Å; A109-A133 HydrophobicContact CB-CB 4.07Å | ||
| 110 | G | 97.2 | Very high | 97.1 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | trans | -91 | 35.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G108 H125 | G108-G110 PolarHBondContact O-N 2.94Å; G110-H125 PolarHBondContact N-NE2 3.3Å | ||
| 111 | T | 97.1 | Very high | 97 | Very high | 10 Ų | 10 | 45.2 Ų | 45.2 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -96.6 | -1.4 | -169.2 | 62.8 | 0 | 0 | 0 | 0 | 114.2 | A109 L119 V130 | A109-T111 VanDerWaalsContact C-N 3.31Å; A109-T111 PolarHBondContact O-N 3.37Å; T111-L119 HydrophobicContact CG2-CG 4.46Å; T111-V130 HydrophobicContact CG2-CG2 3.91Å |
| 112 | G | 96.9 | Very high | 96.7 | Very high | 23 Ų | 23 | 44.2 Ų | 44.2 | 24% | 0.237 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 163.3 | -165 | 0 | 0 | 0 | 0 | 0 | 111.8 | T46 T114 V115 | T46-G112 VanDerWaalsContact OG1-CA 3.25Å; T46-G112 WeakPolarHBondContact OG1-CA 3.42Å; T46-G112 PolarHBondContact OG1-N 3.11Å; G112-T114 PolarHBondContact O-N 3.47Å; G112-V115 PolarHBondContact O-N 3.49Å; G112-V115 VanDerWaalsContact O-N 3.12Å |
| 113 | W | 97.1 | Very high | 96.4 | Very high | 91 Ų | 91 | 51 Ų | 51 | 35% | 0.345 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -16.4 | -178 | 82.1 | -79.3 | 0 | 0 | 0 | 113.8 | A49 F50 I53 F222 W223 | A49-W113 HydrophobicContact CB-CB 3.5Å; A49-W113 VanDerWaalsContact CB-CB 3.5Å; A49-W113 HydrophobicContact CB-CG 4.05Å; F50-W113 HydrophobicContact CD1-CB 4.43Å; F50-W113 HydrophobicContact CE1-CB 4.08Å; F50-W113 WeakPolarHBondContact CE1-O 3.5Å; F50-W113 HydrophobicContact CZ-CB 4.33Å; F50-W113 WeakPolarHBondContact CZ-O 3.38Å; I53-W113 HydrophobicContact CD1-CE3 4.35Å; I53-W113 HydrophobicContact CD1-CZ3 4.36Å; W113-F222 HydrophobicContact CD2-CZ 4.39Å; W113-F222 HydrophobicContact CE3-CE1 4.48Å; W113-F222 AromaticContact CE3-CZ 3.8Å; W113-F222 HydrophobicContact CE3-CZ 3.8Å; W113-F222 AromaticContact CH2-CE1 3.8Å; W113-F222 HydrophobicContact CH2-CE1 3.8Å; W113-F222 AromaticContact CH2-CZ 3.9Å; W113-F222 HydrophobicContact CH2-CZ 3.9Å; W113-F222 HydrophobicContact CZ2-CE1 4.25Å; W113-F222 HydrophobicContact CZ2-CZ 4.48Å; W113-F222 AromaticContact CZ3-CE1 3.94Å; W113-F222 HydrophobicContact CZ3-CE1 3.94Å; W113-F222 AromaticContact CZ3-CZ 3.54Å; W113-F222 HydrophobicContact CZ3-CZ 3.54Å; W113-W223 HydrophobicContact CH2-CH2 4.34Å; W113-W223 HydrophobicContact CH2-CZ3 4.27Å; W113-W223 AromaticContact CZ2-CH2 3.87Å; W113-W223 HydrophobicContact CZ2-CH2 3.87Å; W113-W223 HydrophobicContact CZ2-CZ3 4.24Å |
| 114 | T | 97.3 | Very high | 96.2 | Very high | 18 Ų | 18 | 52 Ų | 52 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -14.2 | 176.2 | 61.6 | 0 | 0 | 0 | 0 | 113.3 | G112 Y116 Y218 F222 W223 | G112-T114 PolarHBondContact O-N 3.47Å; T114-Y116 VanDerWaalsContact C-N 3.28Å; T114-Y116 HydrophobicContact CG2-CE1 4.4Å; T114-Y116 HydrophobicContact CG2-CE2 4.21Å; T114-Y116 PolarHBondContact O-N 3.49Å; T114-Y116 VanDerWaalsContact OG1-CD2 3.29Å; T114-Y116 WeakPolarHBondContact OG1-CD2 3.13Å; T114-Y116 VanDerWaalsContact OG1-CE2 3.31Å; T114-Y116 WeakPolarHBondContact OG1-CE2 3.32Å; T114-Y218 WeakPolarHBondContact O-CE1 3.49Å; T114-Y218 PolarHBondContact O-OH 3.19Å; T114-F222 HydrophobicContact CG2-CD1 4.41Å; T114-F222 HydrophobicContact CG2-CE1 3.73Å; T114-F222 HydrophobicContact CG2-CZ 3.98Å; T114-W223 HydrophobicContact CG2-CZ2 4.35Å |
| 115 | V | 97.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 40.4 | 172.7 | -157.6 | 0 | 0 | 0 | 0 | 113.4 | F50 G112 S120 V130 L196 | F50-V115 HydrophobicContact CE2-CG2 4.26Å; F50-V115 HydrophobicContact CZ-CG2 3.57Å; G112-V115 PolarHBondContact O-N 3.49Å; G112-V115 VanDerWaalsContact O-N 3.12Å; V115-S120 VanDerWaalsContact O-CB 3.29Å; V115-S120 WeakPolarHBondContact O-CB 3.45Å; V115-S120 PolarHBondContact O-OG 3.13Å; V115-V130 HydrophobicContact CG1-CG1 4.13Å; V115-L196 HydrophobicContact CG1-CD2 3.78Å |
| 116 | Y | 98.1 | Very high | 96 | Very high | 57 Ų | 57 | 47 Ų | 47 | 22% | 0.224 | 28% | 0.28 | C | S | . | . | trans | -68.6 | 129.5 | -173.6 | -69.4 | -32.1 | 0 | 0 | 0 | 113.9 | T114 L119 S120 Y218 Q219 W223 | T114-Y116 VanDerWaalsContact C-N 3.28Å; T114-Y116 HydrophobicContact CG2-CE1 4.4Å; T114-Y116 HydrophobicContact CG2-CE2 4.21Å; T114-Y116 PolarHBondContact O-N 3.49Å; T114-Y116 VanDerWaalsContact OG1-CD2 3.29Å; T114-Y116 WeakPolarHBondContact OG1-CD2 3.13Å; T114-Y116 VanDerWaalsContact OG1-CE2 3.31Å; T114-Y116 WeakPolarHBondContact OG1-CE2 3.32Å; Y116-L119 WeakPolarHBondContact O-CB 3.3Å; Y116-L119 PolarHBondContact O-N 3.02Å; Y116-S120 PolarHBondContact O-N 3.43Å; Y116-S120 PolarHBondContact O-OG 3.29Å; Y116-Y218 AromaticContact CD1-CD1 3.51Å; Y116-Y218 HydrophobicContact CD1-CD1 3.51Å; Y116-Y218 AromaticContact CD1-CE1 3.65Å; Y116-Y218 HydrophobicContact CD1-CE1 3.65Å; Y116-Y218 AromaticContact CE1-CD1 3.95Å; Y116-Y218 HydrophobicContact CE1-CD1 3.95Å; Y116-Y218 HydrophobicContact CE1-CE1 4.06Å; Y116-Q219 HydrophobicContact CD1-CG 4.1Å; Y116-Q219 HydrophobicContact CE1-CB 4.36Å; Y116-Q219 HydrophobicContact CE1-CG 3.73Å; Y116-W223 PolarHBondContact OH-NE1 3.2Å | ||
| 117 | P | 96.9 | Very high | 96 | Very high | 9 Ų | 9 | 41.2 Ų | 41.2 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 153.9 | 162.1 | 29.1 | -31.6 | 0 | 0 | 0 | 110.2 | L119 S120 L196 F207 Y218 | P117-L119 VanDerWaalsContact C-N 3.35Å; P117-S120 VanDerWaalsContact N-OG 3.11Å; P117-L196 HydrophobicContact CB-CD1 4.09Å; P117-L196 HydrophobicContact CG-CD1 4.41Å; P117-F207 HydrophobicContact CB-CB 3.91Å; P117-F207 HydrophobicContact CG-CB 3.55Å; P117-F207 HydrophobicContact CG-CD2 4.06Å; P117-F207 HydrophobicContact CG-CG 3.83Å; P117-Y218 VanDerWaalsContact CD-CG 3.45Å; P117-Y218 HydrophobicContact CG-CD2 4.02Å; P117-Y218 HydrophobicContact CG-CG 3.91Å |
| 118 | P | 96.5 | Very high | 96.1 | Very high | 78 Ų | 78 | 37.3 Ų | 37.3 | 51% | 0.506 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -81.4 | -4 | 1.9 | 33.8 | -36.2 | 0 | 0 | 0 | 114.1 | S120 A121 | P118-S120 VanDerWaalsContact C-N 3.3Å; P118-S120 PolarHBondContact O-N 3.45Å; P118-A121 VanDerWaalsContact O-CB 3.31Å; P118-A121 WeakPolarHBondContact O-CB 3.46Å; P118-A121 PolarHBondContact O-N 2.87Å |
| 119 | L | 97.5 | Very high | 96.2 | Very high | 88 Ų | 88 | 37.3 Ų | 37.3 | 46% | 0.461 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -38.8 | -179 | -179.6 | 63.3 | 0 | 0 | 0 | 112.1 | T111 Y116 P117 A121 A124 H125 | T111-L119 HydrophobicContact CG2-CG 4.46Å; Y116-L119 WeakPolarHBondContact O-CB 3.3Å; Y116-L119 PolarHBondContact O-N 3.02Å; P117-L119 VanDerWaalsContact C-N 3.35Å; L119-A121 VanDerWaalsContact C-N 3.31Å; L119-A124 HydrophobicContact CD1-CB 4.17Å; L119-A124 VanDerWaalsContact O-CB 3.32Å; L119-A124 WeakPolarHBondContact O-CB 3.4Å; L119-H125 PolarHBondContact O-ND1 3.43Å |
| 120 | S | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -2.8 | 175.2 | 63.5 | 0 | 0 | 0 | 0 | 114.4 | V115 Y116 P117 P118 L196 R200 | V115-S120 VanDerWaalsContact O-CB 3.29Å; V115-S120 WeakPolarHBondContact O-CB 3.45Å; V115-S120 PolarHBondContact O-OG 3.13Å; Y116-S120 PolarHBondContact O-N 3.43Å; Y116-S120 PolarHBondContact O-OG 3.29Å; P117-S120 VanDerWaalsContact N-OG 3.11Å; P118-S120 VanDerWaalsContact C-N 3.3Å; P118-S120 PolarHBondContact O-N 3.45Å; S120-L196 WeakPolarHBondContact OG-CD2 3.34Å; S120-R200 WeakPolarHBondContact O-CD 3.19Å; S120-R200 PolarHBondContact O-NH1 2.89Å |
| 121 | A | 96.1 | Very high | 96.3 | Very high | 17 Ų | 17 | 37.7 Ų | 37.7 | 14% | 0.14 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -80.9 | 167 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P118 L119 I123 A124 H125 | P118-A121 VanDerWaalsContact O-CB 3.31Å; P118-A121 WeakPolarHBondContact O-CB 3.46Å; P118-A121 PolarHBondContact O-N 2.87Å; L119-A121 VanDerWaalsContact C-N 3.31Å; A121-I123 PolarHBondContact O-N 2.85Å; A121-I123 VanDerWaalsContact O-N 3.11Å; A121-A124 PolarHBondContact O-N 2.97Å; A121-A124 VanDerWaalsContact O-N 3.15Å; A121-H125 PolarHBondContact O-N 3.2Å |
| 122 | G | 92.6 | Very high | 96.4 | Very high | 35 Ų | 35 | 38.9 Ų | 38.9 | 36% | 0.361 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -22.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G126 | G122-G126 VanDerWaalsContact O-CA 3.24Å; G122-G126 WeakPolarHBondContact O-CA 3.44Å; G122-G126 PolarHBondContact O-N 3.38Å |
| 123 | I | 91.4 | Very high | 96.4 | Very high | 143 Ų | 143 | 38 Ų | 38 | 73% | 0.733 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -37.6 | 177.7 | -60.1 | 173.7 | 0 | 0 | 0 | 111.6 | A121 | A121-I123 PolarHBondContact O-N 2.85Å; A121-I123 VanDerWaalsContact O-N 3.11Å |
| 124 | A | 94.3 | Very high | 96.5 | Very high | 56 Ų | 56 | 33.7 Ų | 33.7 | 46% | 0.463 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -32.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L119 A121 | L119-A124 HydrophobicContact CD1-CB 4.17Å; L119-A124 VanDerWaalsContact O-CB 3.32Å; L119-A124 WeakPolarHBondContact O-CB 3.4Å; A121-A124 PolarHBondContact O-N 2.97Å; A121-A124 VanDerWaalsContact O-N 3.15Å |
| 125 | H | 96.3 | Very high | 96.6 | Very high | 15 Ų | 15 | 37.5 Ų | 37.5 | 7% | 0.069 | 24% | 0.24 | C | C | . | . | trans | -126.9 | 78.6 | 174.6 | -78.1 | 79.7 | 0 | 0 | 0 | 110.2 | Q39 G110 L119 A121 G127 V130 R200 | Q39-H125 PolarHBondContact NE2-NE2 2.77Å; Q39-H125 VanDerWaalsContact NE2-NE2 3.11Å; G110-H125 PolarHBondContact N-NE2 3.3Å; L119-H125 PolarHBondContact O-ND1 3.43Å; A121-H125 PolarHBondContact O-N 3.2Å; H125-G127 VanDerWaalsContact C-N 3.29Å; H125-G127 PolarHBondContact O-N 2.69Å; H125-V130 HydrophobicContact CB-CG2 3.72Å; H125-R200 PolarHBondContact O-NH1 2.74Å; H125-R200 PolarHBondContact O-NH2 2.91Å | ||
| 126 | G | 91.4 | Very high | 96.6 | Very high | 65 Ų | 65 | 37.4 Ų | 37.4 | 67% | 0.67 | 24% | 0.239 | S | C | * | . | trans | -72.4 | -15.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | G122 | G122-G126 VanDerWaalsContact O-CA 3.24Å; G122-G126 WeakPolarHBondContact O-CA 3.44Å; G122-G126 PolarHBondContact O-N 3.38Å | ||
| 127 | G | 95 | Very high | 96.7 | Very high | 21 Ų | 21 | 35.1 Ų | 35.1 | 22% | 0.216 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -79.4 | 168.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | H125 S129 R200 | H125-G127 VanDerWaalsContact C-N 3.29Å; H125-G127 PolarHBondContact O-N 2.69Å; G127-S129 PolarHBondContact O-N 2.87Å; G127-R200 PolarHBondContact O-NH2 3.19Å |
| 128 | A | 97.4 | Very high | 96.8 | Very high | 46 Ų | 46 | 36.5 Ų | 36.5 | 38% | 0.38 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -3.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V130 D131 L132 | A128-V130 PolarHBondContact O-N 3.47Å; A128-D131 WeakPolarHBondContact CA-OD2 3.37Å; A128-D131 PolarHBondContact O-N 2.66Å; A128-L132 WeakPolarHBondContact O-CG 3.43Å; A128-L132 PolarHBondContact O-N 2.81Å |
| 129 | S | 98.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.8 | -47.1 | -175.3 | 58.8 | 0 | 0 | 0 | 0 | 112.4 | S102 V105 G108 G127 D131 L132 A133 | S102-S129 VanDerWaalsContact CB-O 3.32Å; S102-S129 WeakPolarHBondContact CB-O 3.45Å; S102-S129 VanDerWaalsContact O-CB 3.3Å; S102-S129 WeakPolarHBondContact O-CB 3.41Å; S102-S129 PolarHBondContact OG-O 2.89Å; V105-S129 WeakPolarHBondContact O-CB 3.31Å; G108-S129 VanDerWaalsContact C-OG 3.23Å; G108-S129 WeakPolarHBondContact O-CB 3.38Å; G108-S129 PolarHBondContact O-OG 3.47Å; G127-S129 PolarHBondContact O-N 2.87Å; S129-D131 VanDerWaalsContact C-N 3.34Å; S129-D131 PolarHBondContact O-N 2.88Å; S129-L132 PolarHBondContact O-N 2.59Å; S129-A133 PolarHBondContact O-N 3.06Å; S129-A133 VanDerWaalsContact O-N 3.14Å |
| 130 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.7 | -35.5 | 178.3 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | A109 T111 V115 H125 A128 L132 A133 I134 | A109-V130 HydrophobicContact CB-CG2 4.35Å; T111-V130 HydrophobicContact CG2-CG2 3.91Å; V115-V130 HydrophobicContact CG1-CG1 4.13Å; H125-V130 HydrophobicContact CB-CG2 3.72Å; A128-V130 PolarHBondContact O-N 3.47Å; V130-L132 PolarHBondContact O-N 3.32Å; V130-A133 PolarHBondContact O-N 2.96Å; V130-I134 HydrophobicContact CG1-CD1 4.03Å; V130-I134 HydrophobicContact CG1-CG1 4.44Å; V130-I134 WeakPolarHBondContact O-CG1 3.42Å; V130-I134 PolarHBondContact O-N 2.87Å |
| 131 | D | 98.6 | Very high | 97 | Very high | 14 Ų | 14 | 31.3 Ų | 31.3 | 8% | 0.075 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.5 | -42.4 | 178 | -53.3 | -52.1 | 0 | 0 | 0 | 111.2 | A128 S129 A133 I134 F135 L197 R200 N201 | A128-D131 WeakPolarHBondContact CA-OD2 3.37Å; A128-D131 PolarHBondContact O-N 2.66Å; S129-D131 VanDerWaalsContact C-N 3.34Å; S129-D131 PolarHBondContact O-N 2.88Å; D131-A133 PolarHBondContact O-N 2.95Å; D131-I134 WeakPolarHBondContact O-CB 3.2Å; D131-I134 PolarHBondContact O-N 3.47Å; D131-F135 HydrophobicContact CB-CE2 4.44Å; D131-F135 WeakPolarHBondContact O-CD2 3.48Å; D131-F135 PolarHBondContact O-N 3.07Å; D131-L197 HydrophobicContact CB-CD1 3.88Å; D131-L197 VanDerWaalsContact OD1-CD1 3.23Å; D131-L197 WeakPolarHBondContact OD1-CD1 3.48Å; D131-R200 IonicContact OD1-CZ 3.48Å; D131-R200 IonicContact OD1-NE 2.74Å; D131-R200 PolarHBondContact OD1-NE 3.18Å; D131-R200 IonicContact OD1-NH2 3.34Å; D131-R200 PolarHBondContact OD1-NH2 3.12Å; D131-R200 IonicContact OD2-CZ 3.86Å; D131-R200 IonicContact OD2-NE 3.86Å; D131-R200 IonicContact OD2-NH2 2.97Å; D131-R200 PolarHBondContact OD2-NH2 3.02Å; D131-N201 PolarHBondContact OD1-ND2 2.97Å |
| 132 | L | 98.8 | Very high | 97.1 | Very high | 36 Ų | 36 | 34.2 Ų | 34.2 | 19% | 0.188 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.6 | -38.6 | 174.6 | -68.4 | 173.1 | 0 | 0 | 0 | 112.5 | L98 V101 V105 A128 S129 V130 F135 S136 | L98-L132 HydrophobicContact CD2-CD2 3.82Å; V101-L132 HydrophobicContact CG1-CD1 3.86Å; V105-L132 HydrophobicContact CB-CD1 4.33Å; V105-L132 HydrophobicContact CG1-CD1 4.49Å; V105-L132 HydrophobicContact CG2-CD1 4.34Å; A128-L132 WeakPolarHBondContact O-CG 3.43Å; A128-L132 PolarHBondContact O-N 2.81Å; S129-L132 PolarHBondContact O-N 2.59Å; V130-L132 PolarHBondContact O-N 3.32Å; L132-F135 PolarHBondContact O-N 3.23Å; L132-S136 WeakPolarHBondContact O-CB 3.29Å; L132-S136 PolarHBondContact O-N 2.95Å |
| 133 | A | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 3% | 0.025 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S102 A109 S129 V130 D131 F135 S136 L137 | S102-A133 WeakPolarHBondContact OG-CB 3.37Å; A109-A133 HydrophobicContact CB-CB 4.07Å; S129-A133 PolarHBondContact O-N 3.06Å; S129-A133 VanDerWaalsContact O-N 3.14Å; V130-A133 PolarHBondContact O-N 2.96Å; D131-A133 PolarHBondContact O-N 2.95Å; A133-F135 PolarHBondContact O-N 3.16Å; A133-S136 WeakPolarHBondContact O-CB 3.41Å; A133-S136 PolarHBondContact O-N 3.41Å; A133-L137 WeakPolarHBondContact O-CG 3.48Å; A133-L137 PolarHBondContact O-N 2.85Å |
| 134 | I | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.2 | -46.4 | 175.2 | -70.7 | 168.6 | 0 | 0 | 0 | 110.5 | V130 D131 S136 L137 H138 I193 L196 L197 | V130-I134 HydrophobicContact CG1-CD1 4.03Å; V130-I134 HydrophobicContact CG1-CG1 4.44Å; V130-I134 WeakPolarHBondContact O-CG1 3.42Å; V130-I134 PolarHBondContact O-N 2.87Å; D131-I134 WeakPolarHBondContact O-CB 3.2Å; D131-I134 PolarHBondContact O-N 3.47Å; I134-S136 VanDerWaalsContact C-N 3.33Å; I134-S136 PolarHBondContact O-N 3.21Å; I134-L137 PolarHBondContact O-N 3.17Å; I134-H138 WeakPolarHBondContact CG2-CE1 3.37Å; I134-H138 WeakPolarHBondContact CG2-ND1 3.34Å; I134-H138 PolarHBondContact O-N 3.31Å; I134-H138 PolarHBondContact O-ND1 3.01Å; I134-I193 HydrophobicContact CG1-CB 4.35Å; I134-I193 HydrophobicContact CG2-CB 4.09Å; I134-I193 HydrophobicContact CG2-CD1 4.27Å; I134-I193 HydrophobicContact CG2-CG1 4.21Å; I134-L196 HydrophobicContact CD1-CD2 4.05Å; I134-L196 HydrophobicContact CD1-CG 4.2Å; I134-L197 HydrophobicContact CD1-CB 4.26Å; I134-L197 HydrophobicContact CD1-CD1 4.22Å; I134-L197 HydrophobicContact CG2-CB 4.28Å; I134-L197 HydrophobicContact CG2-CD1 4.36Å; I134-L197 HydrophobicContact CG2-CD2 4.41Å |
| 135 | F | 98.8 | Very high | 98 | Very high | 98 Ų | 98 | 26.4 Ų | 26.4 | 43% | 0.43 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.1 | -37 | 177 | -70.8 | -55 | 0 | 0 | 0 | 112.8 | L98 D131 L132 A133 H138 L139 L197 | L98-F135 HydrophobicContact CD1-CB 3.96Å; D131-F135 HydrophobicContact CB-CE2 4.44Å; D131-F135 WeakPolarHBondContact O-CD2 3.48Å; D131-F135 PolarHBondContact O-N 3.07Å; L132-F135 PolarHBondContact O-N 3.23Å; A133-F135 PolarHBondContact O-N 3.16Å; F135-H138 PolarHBondContact O-N 2.96Å; F135-L139 WeakPolarHBondContact O-CG 3.41Å; F135-L139 PolarHBondContact O-N 3.08Å; F135-L197 HydrophobicContact CE1-CD2 3.86Å; F135-L197 HydrophobicContact CZ-CD1 4.49Å; F135-L197 HydrophobicContact CZ-CD2 3.84Å |
| 136 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57 | -50 | 172.4 | 178.6 | 0 | 0 | 0 | 0 | 111.8 | F55 A95 L99 L132 A133 I134 H138 L139 A140 | F55-S136 WeakPolarHBondContact CZ-OG 3.45Å; A95-S136 VanDerWaalsContact O-CB 3.26Å; A95-S136 WeakPolarHBondContact O-CB 3.24Å; A95-S136 PolarHBondContact O-OG 3.45Å; L99-S136 WeakPolarHBondContact CB-OG 3.4Å; L132-S136 WeakPolarHBondContact O-CB 3.29Å; L132-S136 PolarHBondContact O-N 2.95Å; A133-S136 WeakPolarHBondContact O-CB 3.41Å; A133-S136 PolarHBondContact O-N 3.41Å; I134-S136 VanDerWaalsContact C-N 3.33Å; I134-S136 PolarHBondContact O-N 3.21Å; S136-H138 VanDerWaalsContact C-N 3.34Å; S136-H138 PolarHBondContact O-N 3.31Å; S136-L139 PolarHBondContact O-N 3.1Å; S136-A140 PolarHBondContact O-N 3.17Å |
| 137 | L | 98.5 | Very high | 98.4 | Very high | 10 Ų | 10 | 24.4 Ų | 24.4 | 5% | 0.052 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.9 | -36.1 | 179.3 | -66.8 | 177.6 | 0 | 0 | 0 | 112.4 | F50 F54 A133 I134 A140 G141 I193 | F50-L137 HydrophobicContact CD1-CD1 4.45Å; F50-L137 HydrophobicContact CD1-CD2 3.8Å; F50-L137 HydrophobicContact CE1-CD1 3.79Å; F50-L137 HydrophobicContact CE1-CD2 3.95Å; F50-L137 HydrophobicContact CE1-CG 4.42Å; F50-L137 HydrophobicContact CE2-CD1 4.49Å; F50-L137 HydrophobicContact CG-CD2 4.32Å; F50-L137 HydrophobicContact CZ-CD1 3.8Å; F54-L137 HydrophobicContact CD1-CD2 4.35Å; F54-L137 HydrophobicContact CD2-CD2 3.89Å; F54-L137 HydrophobicContact CE1-CD2 4.43Å; F54-L137 HydrophobicContact CE2-CD2 3.95Å; F54-L137 HydrophobicContact CG-CD2 4.12Å; F54-L137 HydrophobicContact CZ-CD2 4.23Å; A133-L137 WeakPolarHBondContact O-CG 3.48Å; A133-L137 PolarHBondContact O-N 2.85Å; I134-L137 PolarHBondContact O-N 3.17Å; L137-A140 PolarHBondContact O-N 2.79Å; L137-G141 PolarHBondContact O-N 3.37Å; L137-I193 HydrophobicContact CB-CD1 3.87Å |
| 138 | H | 98.9 | Very high | 98.6 | Very high | 37 Ų | 37 | 23.5 Ų | 23.5 | 17% | 0.171 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.1 | -49.2 | 172.5 | -79.8 | 96.9 | 0 | 0 | 0 | 112.1 | I134 F135 S136 A140 G141 I142 I193 T194 | I134-H138 WeakPolarHBondContact CG2-CE1 3.37Å; I134-H138 WeakPolarHBondContact CG2-ND1 3.34Å; I134-H138 PolarHBondContact O-N 3.31Å; I134-H138 PolarHBondContact O-ND1 3.01Å; F135-H138 PolarHBondContact O-N 2.96Å; S136-H138 VanDerWaalsContact C-N 3.34Å; S136-H138 PolarHBondContact O-N 3.31Å; H138-A140 PolarHBondContact O-N 3.1Å; H138-G141 PolarHBondContact O-N 2.9Å; H138-I142 VanDerWaalsContact O-CG1 3.27Å; H138-I142 WeakPolarHBondContact O-CG1 3.16Å; H138-I142 PolarHBondContact O-N 2.99Å; H138-I193 VanDerWaalsContact CE1-CG1 3.43Å; H138-I193 WeakPolarHBondContact CE1-CG1 3.23Å; H138-T194 PolarHBondContact NE2-OG1 2.83Å |
| 139 | L | 98.8 | Very high | 98.6 | Very high | 45 Ų | 45 | 23.6 Ų | 23.6 | 24% | 0.236 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.6 | -41.2 | -179.8 | -68.1 | -172.6 | 0 | 0 | 0 | 111.9 | L91 P94 A95 L98 F135 S136 G141 I142 S143 | L91-L139 HydrophobicContact CD2-CD2 4.27Å; P94-L139 HydrophobicContact CB-CD1 4.29Å; P94-L139 HydrophobicContact CG-CD1 4.39Å; A95-L139 HydrophobicContact CB-CB 3.62Å; A95-L139 HydrophobicContact CB-CD1 4.41Å; L98-L139 HydrophobicContact CD1-CD1 3.69Å; L98-L139 HydrophobicContact CD1-CG 4.49Å; F135-L139 WeakPolarHBondContact O-CG 3.41Å; F135-L139 PolarHBondContact O-N 3.08Å; S136-L139 PolarHBondContact O-N 3.1Å; L139-G141 VanDerWaalsContact C-N 3.34Å; L139-I142 PolarHBondContact O-N 3.46Å; L139-S143 WeakPolarHBondContact O-CB 3.22Å; L139-S143 PolarHBondContact O-N 3.13Å |
| 140 | A | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.6 | -37.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F54 F55 L92 A95 S136 L137 H138 S143 S144 | F54-A140 HydrophobicContact CB-CB 4.47Å; F55-A140 HydrophobicContact CE1-CB 4.36Å; F55-A140 HydrophobicContact CZ-CB 4.11Å; L92-A140 HydrophobicContact CD2-CB 4.37Å; A95-A140 HydrophobicContact CB-CB 4.42Å; S136-A140 PolarHBondContact O-N 3.17Å; L137-A140 PolarHBondContact O-N 2.79Å; H138-A140 PolarHBondContact O-N 3.1Å; A140-S143 WeakPolarHBondContact O-CB 3.13Å; A140-S143 PolarHBondContact O-N 3.18Å; A140-S144 PolarHBondContact O-N 3.39Å; A140-S144 PolarHBondContact O-OG 3.5Å |
| 141 | G | 98.4 | Very high | 98.7 | Very high | 12 Ų | 12 | 23.5 Ų | 23.5 | 12% | 0.124 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.2 | -46.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L137 H138 L139 S143 S144 I145 | L137-G141 PolarHBondContact O-N 3.37Å; H138-G141 PolarHBondContact O-N 2.9Å; L139-G141 VanDerWaalsContact C-N 3.34Å; G141-S143 VanDerWaalsContact C-N 3.34Å; G141-S143 PolarHBondContact O-N 3.32Å; G141-S144 PolarHBondContact O-N 3.05Å; G141-S144 VanDerWaalsContact O-N 3.16Å; G141-I145 WeakPolarHBondContact O-CG1 3.33Å; G141-I145 PolarHBondContact O-N 2.72Å |
| 142 | I | 98.8 | Very high | 98.7 | Very high | 77 Ų | 77 | 24 Ų | 24 | 40% | 0.395 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 175.8 | -65 | 163 | 0 | 0 | 0 | 110.3 | L91 H138 L139 S144 I145 L146 | L91-I142 HydrophobicContact CD1-CB 4.13Å; L91-I142 HydrophobicContact CD1-CG2 3.57Å; H138-I142 VanDerWaalsContact O-CG1 3.27Å; H138-I142 WeakPolarHBondContact O-CG1 3.16Å; H138-I142 PolarHBondContact O-N 2.99Å; L139-I142 PolarHBondContact O-N 3.46Å; I142-S144 VanDerWaalsContact C-N 3.27Å; I142-S144 PolarHBondContact O-N 3.43Å; I142-I145 PolarHBondContact O-N 3Å; I142-L146 HydrophobicContact CG2-CD1 3.99Å; I142-L146 HydrophobicContact CG2-CG 4.18Å; I142-L146 WeakPolarHBondContact O-CB 3.48Å; I142-L146 VanDerWaalsContact O-CG 3.3Å; I142-L146 WeakPolarHBondContact O-CG 3.32Å; I142-L146 PolarHBondContact O-N 3.16Å |
| 143 | S | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -51.4 | -48.2 | 174.1 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | S88 L139 A140 G141 G147 | S88-S143 WeakPolarHBondContact CB-O 3.34Å; S88-S143 WeakPolarHBondContact O-CB 3.25Å; S88-S143 PolarHBondContact O-OG 3.16Å; S88-S143 PolarHBondContact OG-O 3.22Å; L139-S143 WeakPolarHBondContact O-CB 3.22Å; L139-S143 PolarHBondContact O-N 3.13Å; A140-S143 WeakPolarHBondContact O-CB 3.13Å; A140-S143 PolarHBondContact O-N 3.18Å; G141-S143 VanDerWaalsContact C-N 3.34Å; G141-S143 PolarHBondContact O-N 3.32Å; S143-G147 PolarHBondContact O-N 3.39Å |
| 144 | S | 98.4 | Very high | 98.6 | Very high | 22 Ų | 22 | 23.8 Ų | 23.8 | 15% | 0.154 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.4 | -39.8 | -179 | -60.1 | 0 | 0 | 0 | 0 | 113.4 | A140 G141 I142 G147 A148 L186 | A140-S144 PolarHBondContact O-N 3.39Å; A140-S144 PolarHBondContact O-OG 3.5Å; G141-S144 PolarHBondContact O-N 3.05Å; G141-S144 VanDerWaalsContact O-N 3.16Å; I142-S144 VanDerWaalsContact C-N 3.27Å; I142-S144 PolarHBondContact O-N 3.43Å; S144-G147 PolarHBondContact O-N 2.93Å; S144-A148 WeakPolarHBondContact O-CB 3.28Å; S144-A148 PolarHBondContact O-N 3.3Å; S144-L186 VanDerWaalsContact CB-CD1 3.45Å |
| 145 | I | 98.6 | Very high | 98.6 | Very high | 46 Ų | 46 | 23.8 Ų | 23.8 | 24% | 0.236 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.6 | -45.8 | 176.7 | -69 | 168.8 | 0 | 0 | 0 | 110.8 | G141 I142 G147 A148 V149 L183 L186 P187 | G141-I145 WeakPolarHBondContact O-CG1 3.33Å; G141-I145 PolarHBondContact O-N 2.72Å; I142-I145 PolarHBondContact O-N 3Å; I145-G147 VanDerWaalsContact C-N 3.31Å; I145-G147 PolarHBondContact O-N 3.33Å; I145-A148 WeakPolarHBondContact O-CB 3.32Å; I145-A148 PolarHBondContact O-N 3.46Å; I145-V149 WeakPolarHBondContact O-CG2 3.26Å; I145-V149 PolarHBondContact O-N 3.15Å; I145-L183 HydrophobicContact CG2-CD1 4Å; I145-L186 HydrophobicContact CD1-CB 3.91Å; I145-L186 HydrophobicContact CG1-CB 3.92Å; I145-L186 HydrophobicContact CG1-CD1 3.83Å; I145-P187 HydrophobicContact CD1-CG 4.46Å |
| 146 | L | 98.7 | Very high | 98.6 | Very high | 33 Ų | 33 | 23.4 Ų | 23.4 | 17% | 0.173 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.5 | -42.6 | 176.7 | -68.6 | -179.6 | 0 | 0 | 0 | 111.2 | M84 M87 L91 I142 N150 | M84-L146 HydrophobicContact CG-CB 3.95Å; M84-L146 HydrophobicContact CG-CD2 3.91Å; M84-L146 HydrophobicContact CG-CG 4.33Å; M84-L146 HydrophobicContact SD-CB 4.37Å; M84-L146 HydrophobicContact SD-CD2 4Å; M87-L146 HydrophobicContact CE-CD1 4.3Å; M87-L146 HydrophobicContact CG-CD1 4.1Å; M87-L146 HydrophobicContact SD-CD1 4.05Å; L91-L146 HydrophobicContact CD1-CD1 4.06Å; I142-L146 HydrophobicContact CG2-CD1 3.99Å; I142-L146 HydrophobicContact CG2-CG 4.18Å; I142-L146 WeakPolarHBondContact O-CB 3.48Å; I142-L146 VanDerWaalsContact O-CG 3.3Å; I142-L146 WeakPolarHBondContact O-CG 3.32Å; I142-L146 PolarHBondContact O-N 3.16Å; L146-N150 WeakPolarHBondContact O-CB 3.43Å; L146-N150 PolarHBondContact O-N 3.33Å; L146-N150 VanDerWaalsContact O-N 3.15Å |
| 147 | G | 98.4 | Very high | 98.5 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 5% | 0.052 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.3 | -47.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S143 S144 I145 N150 F151 | S143-G147 PolarHBondContact O-N 3.39Å; S144-G147 PolarHBondContact O-N 2.93Å; I145-G147 VanDerWaalsContact C-N 3.31Å; I145-G147 PolarHBondContact O-N 3.33Å; G147-N150 WeakPolarHBondContact O-CB 3.33Å; G147-N150 PolarHBondContact O-N 3.39Å; G147-F151 WeakPolarHBondContact O-CD2 3.31Å; G147-F151 PolarHBondContact O-N 2.91Å |
| 148 | A | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.8 | -48.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S144 I145 N150 F151 I152 A179 L182 L183 | S144-A148 WeakPolarHBondContact O-CB 3.28Å; S144-A148 PolarHBondContact O-N 3.3Å; I145-A148 WeakPolarHBondContact O-CB 3.32Å; I145-A148 PolarHBondContact O-N 3.46Å; A148-N150 VanDerWaalsContact C-N 3.27Å; A148-N150 PolarHBondContact O-N 3.4Å; A148-F151 PolarHBondContact O-N 3.44Å; A148-I152 WeakPolarHBondContact O-CD1 3.26Å; A148-I152 VanDerWaalsContact O-CG1 3.28Å; A148-I152 WeakPolarHBondContact O-CG1 3.43Å; A148-I152 PolarHBondContact O-N 3.39Å; A148-A179 HydrophobicContact CB-CB 3.96Å; A148-A179 WeakPolarHBondContact CB-O 3.46Å; A148-L182 HydrophobicContact CB-CB 4.27Å; A148-L183 HydrophobicContact CB-CB 4.46Å |
| 149 | V | 98.8 | Very high | 98.4 | Very high | 48 Ų | 48 | 32.5 Ų | 32.5 | 29% | 0.291 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58.4 | -42.3 | 176.1 | 172 | 0 | 0 | 0 | 0 | 110.9 | F81 M84 I145 T153 L183 | F81-V149 HydrophobicContact CE2-CG1 4.24Å; M84-V149 HydrophobicContact SD-CG1 4.48Å; I145-V149 WeakPolarHBondContact O-CG2 3.26Å; I145-V149 PolarHBondContact O-N 3.15Å; V149-T153 WeakPolarHBondContact O-CB 3.32Å; V149-T153 PolarHBondContact O-N 3.35Å; V149-T153 PolarHBondContact O-OG1 3.01Å; V149-L183 HydrophobicContact CG2-CD1 3.84Å |
| 150 | N | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.7 | -43.8 | 178.2 | -170.9 | 24.4 | 0 | 0 | 0 | 112.4 | M79 A80 F81 N85 L146 G147 A148 T153 T154 | M79-N150 HydrophobicContact CE-CB 4.41Å; M79-N150 WeakPolarHBondContact CE-ND2 3.22Å; A80-N150 PolarHBondContact N-OD1 3.28Å; F81-N150 HydrophobicContact CD2-CB 4.28Å; F81-N150 PolarHBondContact N-OD1 3.21Å; N85-N150 WeakPolarHBondContact CB-ND2 3.37Å; L146-N150 WeakPolarHBondContact O-CB 3.43Å; L146-N150 PolarHBondContact O-N 3.33Å; L146-N150 VanDerWaalsContact O-N 3.15Å; G147-N150 WeakPolarHBondContact O-CB 3.33Å; G147-N150 PolarHBondContact O-N 3.39Å; A148-N150 VanDerWaalsContact C-N 3.27Å; A148-N150 PolarHBondContact O-N 3.4Å; N150-T153 PolarHBondContact O-N 2.97Å; N150-T154 VanDerWaalsContact O-CB 3.29Å; N150-T154 WeakPolarHBondContact O-CB 3.27Å; N150-T154 PolarHBondContact O-N 2.6Å; N150-T154 PolarHBondContact O-OG1 2.97Å; N150-T154 PolarHBondContact OD1-OG1 3.24Å |
| 151 | F | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -49.9 | 175.6 | -78 | -58.8 | 0 | 0 | 0 | 112 | I62 V70 M79 G147 A148 T153 T154 V155 V175 A179 | I62-F151 HydrophobicContact CG2-CD2 4.23Å; I62-F151 HydrophobicContact CG2-CE2 3.76Å; I62-F151 VanDerWaalsContact O-CZ 3.25Å; I62-F151 WeakPolarHBondContact O-CZ 3.38Å; V70-F151 HydrophobicContact CB-CD1 4.48Å; V70-F151 HydrophobicContact CB-CE1 4.4Å; V70-F151 HydrophobicContact CG1-CD1 4.47Å; V70-F151 HydrophobicContact CG2-CD1 4.35Å; V70-F151 HydrophobicContact CG2-CE1 4.27Å; M79-F151 HydrophobicContact CE-CD1 3.44Å; M79-F151 VanDerWaalsContact CE-CD1 3.44Å; M79-F151 HydrophobicContact CE-CE1 3.51Å; M79-F151 HydrophobicContact CE-CG 4.12Å; M79-F151 HydrophobicContact CE-CZ 4.28Å; M79-F151 HydrophobicContact SD-CD1 4.46Å; M79-F151 HydrophobicContact SD-CE1 4.22Å; G147-F151 WeakPolarHBondContact O-CD2 3.31Å; G147-F151 PolarHBondContact O-N 2.91Å; A148-F151 PolarHBondContact O-N 3.44Å; F151-T153 VanDerWaalsContact C-N 3.3Å; F151-T153 PolarHBondContact O-N 3.28Å; F151-T154 PolarHBondContact O-N 2.98Å; F151-V155 WeakPolarHBondContact O-CB 3.5Å; F151-V155 VanDerWaalsContact O-CG2 3.25Å; F151-V155 WeakPolarHBondContact O-CG2 3.5Å; F151-V155 PolarHBondContact O-N 2.81Å; F151-V175 HydrophobicContact CB-CG1 4.29Å; F151-V175 HydrophobicContact CD1-CG1 3.79Å; F151-V175 HydrophobicContact CD2-CG1 4.22Å; F151-V175 HydrophobicContact CE1-CG1 4.22Å; F151-V175 HydrophobicContact CG-CG1 3.84Å; F151-A179 HydrophobicContact CB-CB 4.1Å |
| 152 | I | 98.7 | Very high | 97.8 | Very high | 25 Ų | 25 | 42 Ų | 42 | 13% | 0.128 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.4 | -48.7 | 178.6 | -68.6 | 162.6 | 0 | 0 | 0 | 109.8 | A148 V155 I156 A179 L180 L183 | A148-I152 WeakPolarHBondContact O-CD1 3.26Å; A148-I152 VanDerWaalsContact O-CG1 3.28Å; A148-I152 WeakPolarHBondContact O-CG1 3.43Å; A148-I152 PolarHBondContact O-N 3.39Å; I152-V155 PolarHBondContact O-N 3.49Å; I152-I156 HydrophobicContact CG2-CD1 3.62Å; I152-I156 HydrophobicContact CG2-CG1 4.47Å; I152-I156 WeakPolarHBondContact O-CB 3.33Å; I152-I156 VanDerWaalsContact O-CG1 3.24Å; I152-I156 WeakPolarHBondContact O-CG1 3.19Å; I152-I156 PolarHBondContact O-N 3.49Å; I152-A179 HydrophobicContact CD1-CB 4.19Å; I152-A179 HydrophobicContact CG1-CB 3.87Å; I152-L180 HydrophobicContact CD1-CD2 3.8Å; I152-L180 HydrophobicContact CD1-CG 4.2Å; I152-L180 HydrophobicContact CG1-CD2 4.32Å; I152-L180 HydrophobicContact CG1-CG 4.42Å; I152-L183 HydrophobicContact CD1-CD2 3.94Å |
| 153 | T | 98.6 | Very high | 97.6 | Very high | 33 Ų | 33 | 40.2 Ų | 40.2 | 20% | 0.202 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.7 | -43.1 | -178.2 | -53.7 | 0 | 0 | 0 | 0 | 112.1 | A80 F81 V149 N150 F151 I156 N157 | A80-T153 HydrophobicContact CB-CG2 3.72Å; F81-T153 HydrophobicContact CE2-CG2 3.71Å; F81-T153 WeakPolarHBondContact CE2-OG1 3.47Å; F81-T153 HydrophobicContact CZ-CG2 3.67Å; V149-T153 WeakPolarHBondContact O-CB 3.32Å; V149-T153 PolarHBondContact O-N 3.35Å; V149-T153 PolarHBondContact O-OG1 3.01Å; N150-T153 PolarHBondContact O-N 2.97Å; F151-T153 VanDerWaalsContact C-N 3.3Å; F151-T153 PolarHBondContact O-N 3.28Å; T153-I156 PolarHBondContact O-N 3.06Å; T153-N157 WeakPolarHBondContact O-CB 3.25Å; T153-N157 PolarHBondContact O-N 2.94Å; T153-N157 PolarHBondContact O-ND2 3.05Å; T153-N157 VanDerWaalsContact O-ND2 3.1Å |
| 154 | T | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.6 | -49.9 | 177.6 | -57.2 | 0 | 0 | 0 | 0 | 110.3 | M79 A80 N150 F151 I156 N157 M158 | M79-T154 HydrophobicContact CE-CG2 4.45Å; M79-T154 HydrophobicContact SD-CG2 4.04Å; A80-T154 WeakPolarHBondContact CB-OG1 3.36Å; A80-T154 PolarHBondContact N-OG1 2.87Å; N150-T154 VanDerWaalsContact O-CB 3.29Å; N150-T154 WeakPolarHBondContact O-CB 3.27Å; N150-T154 PolarHBondContact O-N 2.6Å; N150-T154 PolarHBondContact O-OG1 2.97Å; N150-T154 PolarHBondContact OD1-OG1 3.24Å; F151-T154 PolarHBondContact O-N 2.98Å; T154-I156 VanDerWaalsContact C-N 3.34Å; T154-I156 PolarHBondContact O-N 3.41Å; T154-N157 PolarHBondContact O-N 3.26Å; T154-M158 HydrophobicContact CG2-CB 4.32Å; T154-M158 HydrophobicContact CG2-SD 4.12Å; T154-M158 VanDerWaalsContact O-CB 3.31Å; T154-M158 WeakPolarHBondContact O-CB 3.3Å; T154-M158 PolarHBondContact O-N 3.43Å |
| 155 | V | 98.2 | Very high | 97.3 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.7 | -36.5 | -177.3 | 179.8 | 0 | 0 | 0 | 0 | 111.3 | V70 L74 F151 I152 R159 M168 V172 V176 | V70-V155 HydrophobicContact CG1-CG2 3.67Å; L74-V155 HydrophobicContact CD1-CB 4.2Å; L74-V155 HydrophobicContact CD1-CG1 4.31Å; L74-V155 HydrophobicContact CD1-CG2 3.93Å; F151-V155 WeakPolarHBondContact O-CB 3.5Å; F151-V155 VanDerWaalsContact O-CG2 3.25Å; F151-V155 WeakPolarHBondContact O-CG2 3.5Å; F151-V155 PolarHBondContact O-N 2.81Å; I152-V155 PolarHBondContact O-N 3.49Å; V155-R159 WeakPolarHBondContact O-CD 3.29Å; V155-R159 WeakPolarHBondContact O-CG 3.31Å; V155-R159 PolarHBondContact O-NH1 3.22Å; V155-M168 HydrophobicContact CG1-CE 4.11Å; V155-M168 HydrophobicContact CG1-SD 3.42Å; V155-M168 WeakPolarHBondContact CG1-SD 3.32Å; V155-V172 HydrophobicContact CB-CG1 4.47Å; V155-V172 HydrophobicContact CG1-CG1 3.78Å; V155-V172 HydrophobicContact CG2-CG1 3.8Å; V155-V176 HydrophobicContact CB-CG2 3.54Å; V155-V176 HydrophobicContact CG1-CG2 3.43Å; V155-V176 VanDerWaalsContact CG1-CG2 3.43Å; V155-V176 HydrophobicContact CG2-CG2 3.52Å |
| 156 | I | 97.6 | Very high | 97.2 | Very high | 89 Ų | 89 | 49 Ų | 49 | 46% | 0.456 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -70.3 | -42.8 | 179.2 | -69.8 | 173.5 | 0 | 0 | 0 | 111.9 | I152 T153 T154 R159 | I152-I156 HydrophobicContact CG2-CD1 3.62Å; I152-I156 HydrophobicContact CG2-CG1 4.47Å; I152-I156 WeakPolarHBondContact O-CB 3.33Å; I152-I156 VanDerWaalsContact O-CG1 3.24Å; I152-I156 WeakPolarHBondContact O-CG1 3.19Å; I152-I156 PolarHBondContact O-N 3.49Å; T153-I156 PolarHBondContact O-N 3.06Å; T154-I156 VanDerWaalsContact C-N 3.34Å; T154-I156 PolarHBondContact O-N 3.41Å; I156-R159 VanDerWaalsContact CA-NH1 3.28Å; I156-R159 PolarHBondContact O-NH1 3.14Å; I156-R159 PolarHBondContact O-NH2 3.49Å |
| 157 | N | 97.8 | Very high | 97.1 | Very high | 116 Ų | 116 | 56 Ų | 56 | 62% | 0.62 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -109.5 | -17.8 | -163.6 | -63.2 | -62.4 | 0 | 0 | 0 | 115.5 | T153 T154 | T153-N157 WeakPolarHBondContact O-CB 3.25Å; T153-N157 PolarHBondContact O-N 2.94Å; T153-N157 PolarHBondContact O-ND2 3.05Å; T153-N157 VanDerWaalsContact O-ND2 3.1Å; T154-N157 PolarHBondContact O-N 3.26Å |
| 158 | M | 97.8 | Very high | 97 | Very high | 52 Ų | 52 | 56.2 Ų | 56.2 | 26% | 0.256 | 31% | 0.308 | S | S | . | . | trans | -112 | 14.9 | -170 | -56.8 | -172.7 | 70.4 | 0 | 0 | 114.2 | A76 P77 D78 A80 T154 | A76-M158 HydrophobicContact CB-CB 3.94Å; A76-M158 HydrophobicContact CB-CE 4.46Å; A76-M158 WeakPolarHBondContact CB-O 3.47Å; P77-M158 HydrophobicContact CG-CE 4.32Å; D78-M158 WeakPolarHBondContact O-CE 3.46Å; A80-M158 WeakPolarHBondContact CA-SD 3.49Å; A80-M158 HydrophobicContact CB-SD 3.67Å; A80-M158 PolarHBondContact N-SD 3.07Å; T154-M158 HydrophobicContact CG2-CB 4.32Å; T154-M158 HydrophobicContact CG2-SD 4.12Å; T154-M158 VanDerWaalsContact O-CB 3.31Å; T154-M158 WeakPolarHBondContact O-CB 3.3Å; T154-M158 PolarHBondContact O-N 3.43Å | ||
| 159 | R | 97.1 | Very high | 97 | Very high | 70 Ų | 70 | 58.5 Ų | 58.5 | 26% | 0.264 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 137.2 | 175.3 | -54.6 | -171 | -65 | -80.9 | -12.6 | 110.4 | L74 V155 I156 I163 L165 M168 | L74-R159 HydrophobicContact CD1-CG 4.3Å; L74-R159 HydrophobicContact CD2-CG 3.86Å; V155-R159 WeakPolarHBondContact O-CD 3.29Å; V155-R159 WeakPolarHBondContact O-CG 3.31Å; V155-R159 PolarHBondContact O-NH1 3.22Å; I156-R159 VanDerWaalsContact CA-NH1 3.28Å; I156-R159 PolarHBondContact O-NH1 3.14Å; I156-R159 PolarHBondContact O-NH2 3.49Å; R159-I163 HydrophobicContact CB-CB 4.35Å; R159-I163 PolarHBondContact NE-O 2.81Å; R159-L165 VanDerWaalsContact NH1-CD2 3.33Å; R159-M168 VanDerWaalsContact CD-SD 3.58Å |
| 160 | S | 95.9 | Very high | 97 | Very high | 45 Ų | 45 | 63.4 Ų | 63.4 | 32% | 0.315 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 155.1 | 170.8 | 55 | 0 | 0 | 0 | 0 | 112.1 | L74 G162 I163 | L74-S160 WeakPolarHBondContact O-CB 3.33Å; L74-S160 PolarHBondContact O-N 3.41Å; L74-S160 PolarHBondContact O-OG 3.28Å; S160-G162 PolarHBondContact O-N 3.41Å; S160-I163 PolarHBondContact O-N 3.12Å; S160-I163 VanDerWaalsContact O-N 3.15Å; S160-I163 WeakPolarHBondContact OG-CD1 3.45Å; S160-I163 WeakPolarHBondContact OG-CG1 3.38Å |
| 161 | T | 94.1 | Very high | 97 | Very high | 156 Ų | 156 | 65.9 Ų | 65.9 | 96% | 0.957 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 129.3 | 177.9 | -48.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 162 | G | 92.4 | Very high | 97 | Very high | 57 Ų | 57 | 65.8 Ų | 65.8 | 59% | 0.588 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.7 | -13.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S160 S164 | S160-G162 PolarHBondContact O-N 3.41Å; G162-S164 PolarHBondContact O-N 2.92Å |
| 163 | I | 96.5 | Very high | 96.9 | Very high | 40 Ų | 40 | 68.9 Ų | 68.9 | 21% | 0.205 | 37% | 0.367 | C | S | . | . | trans | -91.5 | 87.4 | 169.4 | -53.2 | -175.2 | 0 | 0 | 0 | 109.5 | L74 R159 S160 M168 | L74-I163 HydrophobicContact CD2-CG2 4.48Å; R159-I163 HydrophobicContact CB-CB 4.35Å; R159-I163 PolarHBondContact NE-O 2.81Å; S160-I163 PolarHBondContact O-N 3.12Å; S160-I163 VanDerWaalsContact O-N 3.15Å; S160-I163 WeakPolarHBondContact OG-CD1 3.45Å; S160-I163 WeakPolarHBondContact OG-CG1 3.38Å; I163-M168 HydrophobicContact CG2-CG 3.96Å | ||
| 164 | S | 95.4 | Very high | 96.9 | Very high | 46 Ų | 46 | 69.9 Ų | 69.9 | 32% | 0.322 | 38% | 0.376 | S | S | . | . | trans | -72.8 | 164 | 165.5 | 55.4 | 0 | 0 | 0 | 0 | 110.9 | G162 D166 R167 M168 | G162-S164 PolarHBondContact O-N 2.92Å; S164-D166 VanDerWaalsContact C-N 3.31Å; S164-D166 WeakPolarHBondContact CB-OD1 3.29Å; S164-D166 PolarHBondContact O-N 3.48Å; S164-D166 PolarHBondContact OG-OD1 3.27Å; S164-R167 PolarHBondContact O-N 2.89Å; S164-R167 WeakPolarHBondContact OG-CD 3.37Å; S164-R167 WeakPolarHBondContact OG-CG 3.41Å; S164-M168 PolarHBondContact O-N 3.41Å | ||
| 165 | L | 95.3 | Very high | 96.9 | Very high | 84 Ų | 84 | 70 Ų | 70 | 44% | 0.44 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -58.3 | -42 | -176 | -73 | 172.4 | 0 | 0 | 0 | 112.5 | R159 R167 M168 W173 | R159-L165 VanDerWaalsContact NH1-CD2 3.33Å; L165-R167 PolarHBondContact O-N 3.24Å; L165-M168 HydrophobicContact CB-CE 4.35Å; L165-M168 HydrophobicContact CD2-CE 3.48Å; L165-M168 VanDerWaalsContact CD2-CE 3.48Å; L165-M168 HydrophobicContact CD2-SD 3.92Å; L165-M168 PolarHBondContact O-N 3Å; L165-W173 HydrophobicContact CB-CZ2 4.19Å; L165-W173 WeakPolarHBondContact O-CZ2 3.13Å; L165-W173 PolarHBondContact O-NE1 2.7Å |
| 166 | D | 95.8 | Very high | 96.9 | Very high | 126 Ų | 126 | 70.6 Ų | 70.6 | 67% | 0.674 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -64.5 | -17.3 | 176.8 | 61.3 | -51.7 | 0 | 0 | 0 | 113.7 | S164 | S164-D166 VanDerWaalsContact C-N 3.31Å; S164-D166 WeakPolarHBondContact CB-OD1 3.29Å; S164-D166 PolarHBondContact O-N 3.48Å; S164-D166 PolarHBondContact OG-OD1 3.27Å |
| 167 | R | 96 | Very high | 97 | Very high | 178 Ų | 178 | 70.7 Ų | 70.7 | 67% | 0.672 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -104 | 2.9 | -179.9 | -63.3 | -178.3 | -178.5 | -167.7 | -2.5 | 113.7 | S164 L165 | S164-R167 PolarHBondContact O-N 2.89Å; S164-R167 WeakPolarHBondContact OG-CD 3.37Å; S164-R167 WeakPolarHBondContact OG-CG 3.41Å; L165-R167 PolarHBondContact O-N 3.24Å |
| 168 | M | 97.5 | Very high | 97 | Very high | 10 Ų | 10 | 67.6 Ų | 67.6 | 5% | 0.049 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -67.1 | 142 | 177.1 | -66.5 | -171.1 | -58.2 | 0 | 0 | 111.2 | L74 V155 R159 I163 S164 L165 V172 W173 | L74-M168 HydrophobicContact CD2-CG 4.41Å; L74-M168 HydrophobicContact CD2-SD 4.37Å; V155-M168 HydrophobicContact CG1-CE 4.11Å; V155-M168 HydrophobicContact CG1-SD 3.42Å; V155-M168 WeakPolarHBondContact CG1-SD 3.32Å; R159-M168 VanDerWaalsContact CD-SD 3.58Å; I163-M168 HydrophobicContact CG2-CG 3.96Å; S164-M168 PolarHBondContact O-N 3.41Å; L165-M168 HydrophobicContact CB-CE 4.35Å; L165-M168 HydrophobicContact CD2-CE 3.48Å; L165-M168 VanDerWaalsContact CD2-CE 3.48Å; L165-M168 HydrophobicContact CD2-SD 3.92Å; L165-M168 PolarHBondContact O-N 3Å; M168-V172 HydrophobicContact SD-CG1 4.23Å; M168-W173 HydrophobicContact CE-CD2 3.77Å; M168-W173 HydrophobicContact CE-CE3 4.18Å; M168-W173 HydrophobicContact CE-CG 4.35Å; M168-W173 HydrophobicContact CE-CH2 3.94Å; M168-W173 HydrophobicContact CE-CZ2 3.5Å; M168-W173 VanDerWaalsContact CE-CZ2 3.5Å; M168-W173 HydrophobicContact CE-CZ3 4.25Å |
| 169 | P | 97.9 | Very high | 97 | Very high | 49 Ų | 49 | 65.1 Ų | 65.1 | 32% | 0.318 | 35% | 0.354 | S | S | . | . | trans | -56.3 | 145.2 | 173.7 | -27 | 37.2 | 0 | 0 | 0 | 112.2 | M73 F171 V172 W173 | M73-P169 HydrophobicContact CB-CG 4.22Å; M73-P169 HydrophobicContact SD-CB 4.25Å; P169-F171 PolarHBondContact O-N 3.31Å; P169-V172 HydrophobicContact CB-CG2 4.31Å; P169-V172 HydrophobicContact CG-CG2 4.45Å; P169-V172 WeakPolarHBondContact O-CB 3.27Å; P169-V172 PolarHBondContact O-N 3.04Å; P169-W173 PolarHBondContact O-N 3.21Å; P169-W173 VanDerWaalsContact O-N 3.11Å | ||
| 170 | L | 98.3 | Very high | 97.1 | Very high | 151 Ų | 151 | 65.5 Ų | 65.5 | 79% | 0.791 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -57.9 | -33.7 | -178.4 | -67.1 | 177.8 | 0 | 0 | 0 | 113.2 | W173 S174 | L170-W173 WeakPolarHBondContact O-CB 3.43Å; L170-W173 PolarHBondContact O-N 3.49Å; L170-S174 PolarHBondContact O-N 3.41Å |
| 171 | F | 98.4 | Very high | 97.2 | Very high | 52 Ų | 52 | 68.5 Ų | 68.5 | 23% | 0.228 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 174 | 177.7 | -101.7 | 0 | 0 | 0 | 111.6 | F65 L69 V70 M73 P169 W173 S174 V175 | F65-F171 HydrophobicContact CB-CE2 4.29Å; F65-F171 HydrophobicContact CB-CZ 3.77Å; L69-F171 HydrophobicContact CB-CD1 4.19Å; L69-F171 HydrophobicContact CB-CE1 3.73Å; L69-F171 HydrophobicContact CD1-CD1 4.49Å; L69-F171 HydrophobicContact CD1-CE1 4.13Å; L69-F171 HydrophobicContact CD1-CZ 4.32Å; V70-F171 HydrophobicContact CG2-CE1 4.04Å; M73-F171 HydrophobicContact CE-CB 4.42Å; M73-F171 HydrophobicContact CE-CD1 4.17Å; M73-F171 HydrophobicContact SD-CB 4.07Å; M73-F171 HydrophobicContact SD-CD1 3.68Å; M73-F171 HydrophobicContact SD-CG 4.28Å; P169-F171 PolarHBondContact O-N 3.31Å; F171-W173 VanDerWaalsContact C-N 3.31Å; F171-W173 PolarHBondContact O-N 2.9Å; F171-S174 WeakPolarHBondContact O-CB 3.32Å; F171-S174 PolarHBondContact O-N 3.42Å; F171-S174 VanDerWaalsContact O-N 3.12Å; F171-S174 PolarHBondContact O-OG 2.95Å; F171-V175 HydrophobicContact CD1-CG2 4.36Å; F171-V175 HydrophobicContact CE1-CG2 3.81Å; F171-V175 HydrophobicContact CE2-CG2 4.11Å; F171-V175 HydrophobicContact CZ-CG2 3.66Å; F171-V175 WeakPolarHBondContact O-CG2 3.46Å; F171-V175 PolarHBondContact O-N 3.16Å |
| 172 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 177.8 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | V70 M73 L74 V155 M168 P169 S174 V175 V176 | V70-V172 HydrophobicContact CG1-CG1 4.41Å; M73-V172 HydrophobicContact CB-CG2 3.73Å; M73-V172 HydrophobicContact SD-CG2 4.07Å; L74-V172 HydrophobicContact CD1-CG1 4.42Å; L74-V172 HydrophobicContact CD2-CG1 4.04Å; L74-V172 HydrophobicContact CD2-CG2 4.47Å; L74-V172 HydrophobicContact CG-CG1 4.34Å; V155-V172 HydrophobicContact CB-CG1 4.47Å; V155-V172 HydrophobicContact CG1-CG1 3.78Å; V155-V172 HydrophobicContact CG2-CG1 3.8Å; M168-V172 HydrophobicContact SD-CG1 4.23Å; P169-V172 HydrophobicContact CB-CG2 4.31Å; P169-V172 HydrophobicContact CG-CG2 4.45Å; P169-V172 WeakPolarHBondContact O-CB 3.27Å; P169-V172 PolarHBondContact O-N 3.04Å; V172-S174 PolarHBondContact O-N 3.36Å; V172-V175 PolarHBondContact O-N 3.11Å; V172-V176 WeakPolarHBondContact O-CG2 3.46Å; V172-V176 PolarHBondContact O-N 3.45Å |
| 173 | W | 98.4 | Very high | 97.7 | Very high | 89 Ų | 89 | 62.1 Ų | 62.1 | 34% | 0.337 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.6 | -45.9 | 172.2 | -89.7 | 115.1 | 0 | 0 | 0 | 112.7 | L165 M168 P169 L170 F171 V175 V176 I177 | L165-W173 HydrophobicContact CB-CZ2 4.19Å; L165-W173 WeakPolarHBondContact O-CZ2 3.13Å; L165-W173 PolarHBondContact O-NE1 2.7Å; M168-W173 HydrophobicContact CE-CD2 3.77Å; M168-W173 HydrophobicContact CE-CE3 4.18Å; M168-W173 HydrophobicContact CE-CG 4.35Å; M168-W173 HydrophobicContact CE-CH2 3.94Å; M168-W173 HydrophobicContact CE-CZ2 3.5Å; M168-W173 VanDerWaalsContact CE-CZ2 3.5Å; M168-W173 HydrophobicContact CE-CZ3 4.25Å; P169-W173 PolarHBondContact O-N 3.21Å; P169-W173 VanDerWaalsContact O-N 3.11Å; L170-W173 WeakPolarHBondContact O-CB 3.43Å; L170-W173 PolarHBondContact O-N 3.49Å; F171-W173 VanDerWaalsContact C-N 3.31Å; F171-W173 PolarHBondContact O-N 2.9Å; W173-V175 VanDerWaalsContact C-N 3.28Å; W173-V175 PolarHBondContact O-N 3.12Å; W173-V176 PolarHBondContact O-N 3.22Å; W173-I177 WeakPolarHBondContact O-CG1 3.32Å; W173-I177 PolarHBondContact O-N 3.47Å |
| 174 | S | 98.4 | Very high | 97.8 | Very high | 55 Ų | 55 | 66.3 Ų | 66.3 | 39% | 0.385 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.4 | -38.8 | 178.2 | 78.3 | 0 | 0 | 0 | 0 | 112.2 | L170 F171 V172 T178 | L170-S174 PolarHBondContact O-N 3.41Å; F171-S174 WeakPolarHBondContact O-CB 3.32Å; F171-S174 PolarHBondContact O-N 3.42Å; F171-S174 VanDerWaalsContact O-N 3.12Å; F171-S174 PolarHBondContact O-OG 2.95Å; V172-S174 PolarHBondContact O-N 3.36Å; S174-T178 WeakPolarHBondContact O-CB 3.44Å; S174-T178 PolarHBondContact O-N 3.19Å; S174-T178 PolarHBondContact O-OG1 3.29Å |
| 175 | V | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.012 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.4 | -42.7 | 178 | 175.6 | 0 | 0 | 0 | 0 | 111 | V70 F151 F171 V172 W173 T178 A179 | V70-V175 HydrophobicContact CG2-CB 4.14Å; V70-V175 HydrophobicContact CG2-CG1 4.04Å; V70-V175 HydrophobicContact CG2-CG2 4.04Å; F151-V175 HydrophobicContact CB-CG1 4.29Å; F151-V175 HydrophobicContact CD1-CG1 3.79Å; F151-V175 HydrophobicContact CD2-CG1 4.22Å; F151-V175 HydrophobicContact CE1-CG1 4.22Å; F151-V175 HydrophobicContact CG-CG1 3.84Å; F171-V175 HydrophobicContact CD1-CG2 4.36Å; F171-V175 HydrophobicContact CE1-CG2 3.81Å; F171-V175 HydrophobicContact CE2-CG2 4.11Å; F171-V175 HydrophobicContact CZ-CG2 3.66Å; F171-V175 WeakPolarHBondContact O-CG2 3.46Å; F171-V175 PolarHBondContact O-N 3.16Å; V172-V175 PolarHBondContact O-N 3.11Å; W173-V175 VanDerWaalsContact C-N 3.28Å; W173-V175 PolarHBondContact O-N 3.12Å; V175-T178 PolarHBondContact O-N 3.01Å; V175-A179 VanDerWaalsContact O-CB 3.3Å; V175-A179 WeakPolarHBondContact O-CB 3.4Å; V175-A179 PolarHBondContact O-N 2.94Å |
| 176 | V | 97.9 | Very high | 97.9 | Very high | 16 Ų | 16 | 63.6 Ų | 63.6 | 10% | 0.097 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 177.5 | 172.2 | 0 | 0 | 0 | 0 | 111.9 | V155 V172 W173 T178 A179 L180 | V155-V176 HydrophobicContact CB-CG2 3.54Å; V155-V176 HydrophobicContact CG1-CG2 3.43Å; V155-V176 VanDerWaalsContact CG1-CG2 3.43Å; V155-V176 HydrophobicContact CG2-CG2 3.52Å; V172-V176 WeakPolarHBondContact O-CG2 3.46Å; V172-V176 PolarHBondContact O-N 3.45Å; W173-V176 PolarHBondContact O-N 3.22Å; V176-T178 VanDerWaalsContact C-N 3.31Å; V176-T178 PolarHBondContact O-N 2.94Å; V176-A179 PolarHBondContact O-N 2.86Å; V176-L180 HydrophobicContact CG1-CD1 4.12Å; V176-L180 WeakPolarHBondContact O-CG 3.08Å; V176-L180 PolarHBondContact O-N 2.88Å |
| 177 | I | 98.6 | Very high | 98.1 | Very high | 91 Ų | 91 | 60.8 Ų | 60.8 | 47% | 0.467 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61 | -46 | 178.1 | -67.8 | 167.8 | 0 | 0 | 0 | 109.5 | W173 A179 L180 L181 | W173-I177 WeakPolarHBondContact O-CG1 3.32Å; W173-I177 PolarHBondContact O-N 3.47Å; I177-A179 PolarHBondContact O-N 3.11Å; I177-L180 PolarHBondContact O-N 3.34Å; I177-L181 HydrophobicContact CG2-CD1 4.2Å; I177-L181 WeakPolarHBondContact O-CG 3.48Å; I177-L181 PolarHBondContact O-N 2.77Å |
| 178 | T | 98.6 | Very high | 98.2 | Very high | 50 Ų | 50 | 55.6 Ų | 55.6 | 31% | 0.307 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 177 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | I62 S174 V175 V176 L180 L181 L182 | I62-T178 HydrophobicContact CD1-CG2 3.64Å; I62-T178 HydrophobicContact CG1-CG2 4.08Å; S174-T178 WeakPolarHBondContact O-CB 3.44Å; S174-T178 PolarHBondContact O-N 3.19Å; S174-T178 PolarHBondContact O-OG1 3.29Å; V175-T178 PolarHBondContact O-N 3.01Å; V176-T178 VanDerWaalsContact C-N 3.31Å; V176-T178 PolarHBondContact O-N 2.94Å; T178-L180 VanDerWaalsContact C-N 3.35Å; T178-L180 PolarHBondContact O-N 2.93Å; T178-L181 PolarHBondContact O-N 3.49Å; T178-L182 HydrophobicContact CG2-CD1 4.09Å; T178-L182 HydrophobicContact CG2-CG 4.27Å; T178-L182 VanDerWaalsContact O-CG 3.3Å; T178-L182 WeakPolarHBondContact O-CG 3.41Å; T178-L182 PolarHBondContact O-N 2.83Å |
| 179 | A | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A148 F151 I152 V175 V176 I177 L182 L183 | A148-A179 HydrophobicContact CB-CB 3.96Å; A148-A179 WeakPolarHBondContact CB-O 3.46Å; F151-A179 HydrophobicContact CB-CB 4.1Å; I152-A179 HydrophobicContact CD1-CB 4.19Å; I152-A179 HydrophobicContact CG1-CB 3.87Å; V175-A179 VanDerWaalsContact O-CB 3.3Å; V175-A179 WeakPolarHBondContact O-CB 3.4Å; V175-A179 PolarHBondContact O-N 2.94Å; V176-A179 PolarHBondContact O-N 2.86Å; I177-A179 PolarHBondContact O-N 3.11Å; A179-L182 PolarHBondContact O-N 3.46Å; A179-L183 WeakPolarHBondContact O-CB 3.36Å; A179-L183 PolarHBondContact O-N 3.25Å |
| 180 | L | 98.6 | Very high | 98.2 | Very high | 79 Ų | 79 | 55.6 Ų | 55.6 | 41% | 0.414 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 174.3 | -74.1 | 168.7 | 0 | 0 | 0 | 111.5 | I152 V176 I177 T178 L183 L184 | I152-L180 HydrophobicContact CD1-CD2 3.8Å; I152-L180 HydrophobicContact CD1-CG 4.2Å; I152-L180 HydrophobicContact CG1-CD2 4.32Å; I152-L180 HydrophobicContact CG1-CG 4.42Å; V176-L180 HydrophobicContact CG1-CD1 4.12Å; V176-L180 WeakPolarHBondContact O-CG 3.08Å; V176-L180 PolarHBondContact O-N 2.88Å; I177-L180 PolarHBondContact O-N 3.34Å; T178-L180 VanDerWaalsContact C-N 3.35Å; T178-L180 PolarHBondContact O-N 2.93Å; L180-L183 PolarHBondContact O-N 3.49Å; L180-L184 WeakPolarHBondContact O-CG 3.28Å; L180-L184 PolarHBondContact O-N 2.59Å; L180-L184 VanDerWaalsContact O-N 3.15Å |
| 181 | L | 98.6 | Very high | 98.2 | Very high | 108 Ų | 108 | 49.8 Ų | 49.8 | 57% | 0.565 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.6 | -47.1 | 177.3 | -67.2 | 174.1 | 0 | 0 | 0 | 111.4 | I177 T178 L183 L184 S185 | I177-L181 HydrophobicContact CG2-CD1 4.2Å; I177-L181 WeakPolarHBondContact O-CG 3.48Å; I177-L181 PolarHBondContact O-N 2.77Å; T178-L181 PolarHBondContact O-N 3.49Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L181-L183 PolarHBondContact O-N 3.49Å; L181-L184 PolarHBondContact O-N 3.42Å; L181-S185 WeakPolarHBondContact O-CB 3.45Å; L181-S185 PolarHBondContact O-N 3.14Å; L181-S185 PolarHBondContact O-OG 3.49Å |
| 182 | L | 98 | Very high | 98.2 | Very high | 19 Ų | 19 | 47.3 Ų | 47.3 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 177.7 | -70.3 | 172.5 | 0 | 0 | 0 | 112.2 | M58 I62 A148 T178 A179 L184 L186 | M58-L182 HydrophobicContact SD-CD2 4.21Å; I62-L182 HydrophobicContact CG2-CD1 4.49Å; A148-L182 HydrophobicContact CB-CB 4.27Å; T178-L182 HydrophobicContact CG2-CD1 4.09Å; T178-L182 HydrophobicContact CG2-CG 4.27Å; T178-L182 VanDerWaalsContact O-CG 3.3Å; T178-L182 WeakPolarHBondContact O-CG 3.41Å; T178-L182 PolarHBondContact O-N 2.83Å; A179-L182 PolarHBondContact O-N 3.46Å; L182-L184 VanDerWaalsContact C-N 3.28Å; L182-L184 PolarHBondContact O-N 3.23Å; L182-L186 HydrophobicContact CB-CD1 4.11Å; L182-L186 HydrophobicContact CD2-CD1 4.02Å; L182-L186 HydrophobicContact CD2-CG 4.28Å; L182-L186 VanDerWaalsContact O-CB 3.27Å; L182-L186 WeakPolarHBondContact O-CB 3.4Å; L182-L186 VanDerWaalsContact O-CG 3.28Å; L182-L186 WeakPolarHBondContact O-CG 3.48Å; L182-L186 PolarHBondContact O-N 2.91Å; L182-L186 VanDerWaalsContact O-N 3.1Å |
| 183 | L | 97.9 | Very high | 98.2 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 31% | 0.309 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.3 | -34.2 | 179.3 | -175.8 | 62 | 0 | 0 | 0 | 112.1 | I145 A148 V149 I152 A179 L180 L181 P187 | I145-L183 HydrophobicContact CG2-CD1 4Å; A148-L183 HydrophobicContact CB-CB 4.46Å; V149-L183 HydrophobicContact CG2-CD1 3.84Å; I152-L183 HydrophobicContact CD1-CD2 3.94Å; A179-L183 WeakPolarHBondContact O-CB 3.36Å; A179-L183 PolarHBondContact O-N 3.25Å; L180-L183 PolarHBondContact O-N 3.49Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L181-L183 PolarHBondContact O-N 3.49Å; L183-P187 VanDerWaalsContact O-CD 3.28Å; L183-P187 WeakPolarHBondContact O-CD 3.39Å; L183-P187 WeakPolarHBondContact O-CG 3.44Å |
| 184 | L | 98.1 | Very high | 98.2 | Very high | 129 Ų | 129 | 46 Ų | 46 | 68% | 0.675 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -86.3 | -34.4 | -179.1 | -65.3 | 174.3 | 0 | 0 | 0 | 113.1 | L180 L181 L182 | L180-L184 WeakPolarHBondContact O-CG 3.28Å; L180-L184 PolarHBondContact O-N 2.59Å; L180-L184 VanDerWaalsContact O-N 3.15Å; L181-L184 PolarHBondContact O-N 3.42Å; L182-L184 VanDerWaalsContact C-N 3.28Å; L182-L184 PolarHBondContact O-N 3.23Å |
| 185 | S | 97.3 | Very high | 98.2 | Very high | 60 Ų | 60 | 45.4 Ų | 45.4 | 42% | 0.42 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -90 | -40.8 | -173.1 | 66.2 | 0 | 0 | 0 | 0 | 113.9 | L181 P187 V188 L189 | L181-S185 WeakPolarHBondContact O-CB 3.45Å; L181-S185 PolarHBondContact O-N 3.14Å; L181-S185 PolarHBondContact O-OG 3.49Å; S185-P187 VanDerWaalsContact C-CD 3.46Å; S185-V188 WeakPolarHBondContact O-CB 3.35Å; S185-V188 PolarHBondContact O-N 3.25Å; S185-L189 PolarHBondContact O-N 2.89Å |
| 186 | L | 97.1 | Very high | 98.2 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 7% | 0.068 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62 | -33.7 | -175.3 | -68.2 | 176.6 | 0 | 0 | 0 | 114.5 | S144 I145 L182 V188 L189 A190 | S144-L186 VanDerWaalsContact CB-CD1 3.45Å; I145-L186 HydrophobicContact CD1-CB 3.91Å; I145-L186 HydrophobicContact CG1-CB 3.92Å; I145-L186 HydrophobicContact CG1-CD1 3.83Å; L182-L186 HydrophobicContact CB-CD1 4.11Å; L182-L186 HydrophobicContact CD2-CD1 4.02Å; L182-L186 HydrophobicContact CD2-CG 4.28Å; L182-L186 VanDerWaalsContact O-CB 3.27Å; L182-L186 WeakPolarHBondContact O-CB 3.4Å; L182-L186 VanDerWaalsContact O-CG 3.28Å; L182-L186 WeakPolarHBondContact O-CG 3.48Å; L182-L186 PolarHBondContact O-N 2.91Å; L182-L186 VanDerWaalsContact O-N 3.1Å; L186-V188 VanDerWaalsContact C-N 3.26Å; L186-V188 PolarHBondContact O-N 2.81Å; L186-L189 HydrophobicContact CD2-CD2 4.41Å; L186-L189 PolarHBondContact O-N 3.45Å; L186-A190 WeakPolarHBondContact O-CB 3.3Å; L186-A190 PolarHBondContact O-N 2.92Å |
| 187 | P | 98.3 | Very high | 98.3 | Very high | 67 Ų | 67 | 45.9 Ų | 45.9 | 44% | 0.435 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.2 | -34.4 | 172.9 | -26.4 | 36.6 | 0 | 0 | 0 | 113.6 | I145 L183 S185 G191 | I145-P187 HydrophobicContact CD1-CG 4.46Å; L183-P187 VanDerWaalsContact O-CD 3.28Å; L183-P187 WeakPolarHBondContact O-CD 3.39Å; L183-P187 WeakPolarHBondContact O-CG 3.44Å; S185-P187 VanDerWaalsContact C-CD 3.46Å; P187-G191 PolarHBondContact O-N 3Å |
| 188 | V | 98.4 | Very high | 98.3 | Very high | 68 Ų | 68 | 42.9 Ų | 42.9 | 41% | 0.412 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.8 | -48.1 | 178.3 | -174.2 | 0 | 0 | 0 | 0 | 110.1 | S185 L186 A190 G191 A192 L221 | S185-V188 WeakPolarHBondContact O-CB 3.35Å; S185-V188 PolarHBondContact O-N 3.25Å; L186-V188 VanDerWaalsContact C-N 3.26Å; L186-V188 PolarHBondContact O-N 2.81Å; V188-A190 PolarHBondContact O-N 3.4Å; V188-G191 PolarHBondContact O-N 3.04Å; V188-A192 PolarHBondContact O-N 3.44Å; V188-L221 HydrophobicContact CG1-CB 4.33Å; V188-L221 HydrophobicContact CG1-CD2 4.01Å; V188-L221 WeakPolarHBondContact CG1-O 3.36Å |
| 189 | L | 97.5 | Very high | 98.2 | Very high | 29 Ų | 29 | 41.7 Ų | 41.7 | 15% | 0.152 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.3 | -48.9 | 174.4 | 175.8 | 63.1 | 0 | 0 | 0 | 111.2 | F54 S185 L186 G191 A192 I193 F222 | F54-L189 HydrophobicContact CZ-CD2 4.37Å; S185-L189 PolarHBondContact O-N 2.89Å; L186-L189 HydrophobicContact CD2-CD2 4.41Å; L186-L189 PolarHBondContact O-N 3.45Å; L189-G191 VanDerWaalsContact C-N 3.28Å; L189-G191 PolarHBondContact O-N 3.33Å; L189-A192 WeakPolarHBondContact O-CB 3.39Å; L189-A192 PolarHBondContact O-N 3.07Å; L189-A192 VanDerWaalsContact O-N 3.11Å; L189-I193 HydrophobicContact CD1-CG2 4.15Å; L189-I193 WeakPolarHBondContact O-CG1 3.42Å; L189-I193 PolarHBondContact O-N 3.49Å; L189-F222 HydrophobicContact CD1-CD2 3.84Å; L189-F222 HydrophobicContact CD1-CE2 4.03Å |
| 190 | A | 98.2 | Very high | 98.2 | Very high | 31 Ų | 31 | 43.1 Ų | 43.1 | 26% | 0.256 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58 | -40.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L186 V188 I193 T194 | L186-A190 WeakPolarHBondContact O-CB 3.3Å; L186-A190 PolarHBondContact O-N 2.92Å; V188-A190 PolarHBondContact O-N 3.4Å; A190-I193 WeakPolarHBondContact O-CG1 3.48Å; A190-T194 VanDerWaalsContact O-CB 3.27Å; A190-T194 WeakPolarHBondContact O-CB 3.41Å; A190-T194 PolarHBondContact O-N 2.98Å; A190-T194 PolarHBondContact O-OG1 3Å |
| 191 | G | 98.4 | Very high | 98.2 | Very high | 29 Ų | 29 | 43.5 Ų | 43.5 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P187 V188 L189 I193 T194 M195 | P187-G191 PolarHBondContact O-N 3Å; V188-G191 PolarHBondContact O-N 3.04Å; L189-G191 VanDerWaalsContact C-N 3.28Å; L189-G191 PolarHBondContact O-N 3.33Å; G191-I193 PolarHBondContact O-N 3.23Å; G191-T194 PolarHBondContact O-N 3.33Å; G191-M195 WeakPolarHBondContact O-CE 3.43Å; G191-M195 WeakPolarHBondContact O-CG 3.28Å; G191-M195 PolarHBondContact O-N 2.84Å |
| 192 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58 | -50.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V188 L189 T194 M195 L196 Y218 L221 | V188-A192 PolarHBondContact O-N 3.44Å; L189-A192 WeakPolarHBondContact O-CB 3.39Å; L189-A192 PolarHBondContact O-N 3.07Å; L189-A192 VanDerWaalsContact O-N 3.11Å; A192-T194 VanDerWaalsContact C-N 3.34Å; A192-T194 PolarHBondContact O-N 3.14Å; A192-M195 PolarHBondContact O-N 3.3Å; A192-L196 PolarHBondContact O-N 3.16Å; A192-Y218 HydrophobicContact CB-CE2 4.31Å; A192-L221 HydrophobicContact CB-CB 3.72Å; A192-L221 HydrophobicContact CB-CD1 4.24Å |
| 193 | I | 98.5 | Very high | 98 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.015 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -73.6 | -25 | -179 | 64.4 | 175.6 | 0 | 0 | 0 | 112.5 | I134 L137 H138 L189 A190 G191 L197 | I134-I193 HydrophobicContact CG1-CB 4.35Å; I134-I193 HydrophobicContact CG2-CB 4.09Å; I134-I193 HydrophobicContact CG2-CD1 4.27Å; I134-I193 HydrophobicContact CG2-CG1 4.21Å; L137-I193 HydrophobicContact CB-CD1 3.87Å; H138-I193 VanDerWaalsContact CE1-CG1 3.43Å; H138-I193 WeakPolarHBondContact CE1-CG1 3.23Å; L189-I193 HydrophobicContact CD1-CG2 4.15Å; L189-I193 WeakPolarHBondContact O-CG1 3.42Å; L189-I193 PolarHBondContact O-N 3.49Å; A190-I193 WeakPolarHBondContact O-CG1 3.48Å; G191-I193 PolarHBondContact O-N 3.23Å; I193-L197 WeakPolarHBondContact O-CB 3.31Å; I193-L197 PolarHBondContact O-N 3.49Å |
| 194 | T | 98.7 | Very high | 98 | Very high | 59 Ų | 59 | 50.5 Ų | 50.5 | 36% | 0.362 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.6 | -46.5 | 170 | -62.4 | 0 | 0 | 0 | 0 | 111.1 | H138 A190 G191 A192 L196 L197 T198 | H138-T194 PolarHBondContact NE2-OG1 2.83Å; A190-T194 VanDerWaalsContact O-CB 3.27Å; A190-T194 WeakPolarHBondContact O-CB 3.41Å; A190-T194 PolarHBondContact O-N 2.98Å; A190-T194 PolarHBondContact O-OG1 3Å; G191-T194 PolarHBondContact O-N 3.33Å; A192-T194 VanDerWaalsContact C-N 3.34Å; A192-T194 PolarHBondContact O-N 3.14Å; T194-L196 PolarHBondContact O-N 3.5Å; T194-L197 WeakPolarHBondContact O-CA 3.32Å; T194-L197 WeakPolarHBondContact O-CB 3.34Å; T194-L197 PolarHBondContact O-N 2.91Å; T194-T198 WeakPolarHBondContact O-CG2 3.38Å; T194-T198 PolarHBondContact O-N 2.97Å |
| 195 | M | 98.7 | Very high | 98 | Very high | 42 Ų | 42 | 46.9 Ų | 46.9 | 21% | 0.207 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.1 | -38.5 | 174.6 | -75.3 | -177.3 | -77.8 | 0 | 0 | 111.2 | G191 A192 T198 D199 F206 F207 L221 | G191-M195 WeakPolarHBondContact O-CE 3.43Å; G191-M195 WeakPolarHBondContact O-CG 3.28Å; G191-M195 PolarHBondContact O-N 2.84Å; A192-M195 PolarHBondContact O-N 3.3Å; M195-T198 PolarHBondContact O-N 3.3Å; M195-T198 PolarHBondContact O-OG1 2.75Å; M195-D199 PolarHBondContact O-N 2.96Å; M195-F206 HydrophobicContact CB-CB 4.22Å; M195-F206 HydrophobicContact CB-CD2 3.77Å; M195-F206 HydrophobicContact CB-CE2 4.27Å; M195-F206 HydrophobicContact CB-CG 3.93Å; M195-F206 HydrophobicContact CG-CD1 4.09Å; M195-F206 HydrophobicContact CG-CD2 3.86Å; M195-F206 HydrophobicContact CG-CE1 4.15Å; M195-F206 HydrophobicContact CG-CE2 3.93Å; M195-F206 HydrophobicContact CG-CG 3.96Å; M195-F206 HydrophobicContact CG-CZ 4.07Å; M195-F206 HydrophobicContact SD-CD1 3.63Å; M195-F206 HydrophobicContact SD-CD2 4.47Å; M195-F206 HydrophobicContact SD-CE1 3.83Å; M195-F206 HydrophobicContact SD-CG 3.99Å; M195-F206 HydrophobicContact SD-CZ 4.35Å; M195-F207 HydrophobicContact CB-CE2 3.62Å; M195-F207 HydrophobicContact CB-CZ 3.73Å; M195-F207 HydrophobicContact CE-CZ 4.34Å; M195-F207 HydrophobicContact SD-CZ 4.49Å; M195-L221 HydrophobicContact CE-CD1 3.34Å |
| 196 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 175 | 177.7 | 63.3 | 0 | 0 | 0 | 111.1 | V115 P117 S120 I134 A192 T194 T198 D199 R200 F207 Y218 | V115-L196 HydrophobicContact CG1-CD2 3.78Å; P117-L196 HydrophobicContact CB-CD1 4.09Å; P117-L196 HydrophobicContact CG-CD1 4.41Å; S120-L196 WeakPolarHBondContact OG-CD2 3.34Å; I134-L196 HydrophobicContact CD1-CD2 4.05Å; I134-L196 HydrophobicContact CD1-CG 4.2Å; A192-L196 PolarHBondContact O-N 3.16Å; T194-L196 PolarHBondContact O-N 3.5Å; L196-T198 VanDerWaalsContact C-N 3.29Å; L196-T198 PolarHBondContact O-N 3.02Å; L196-D199 PolarHBondContact O-N 3.38Å; L196-R200 HydrophobicContact CD1-CG 4.4Å; L196-R200 WeakPolarHBondContact O-CB 3.45Å; L196-R200 VanDerWaalsContact O-CG 3.22Å; L196-R200 WeakPolarHBondContact O-CG 3.28Å; L196-R200 PolarHBondContact O-N 3.34Å; L196-F207 HydrophobicContact CB-CD2 4.32Å; L196-F207 HydrophobicContact CB-CE2 4.03Å; L196-F207 HydrophobicContact CD1-CD2 4.39Å; L196-Y218 HydrophobicContact CB-CE2 4.15Å; L196-Y218 HydrophobicContact CD2-CE2 3.96Å |
| 197 | L | 98.6 | Very high | 98.1 | Very high | 28 Ų | 28 | 47.7 Ų | 47.7 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 176.2 | -171.8 | 70.1 | 0 | 0 | 0 | 111.7 | D131 I134 F135 I193 T194 R200 N201 | D131-L197 HydrophobicContact CB-CD1 3.88Å; D131-L197 VanDerWaalsContact OD1-CD1 3.23Å; D131-L197 WeakPolarHBondContact OD1-CD1 3.48Å; I134-L197 HydrophobicContact CD1-CB 4.26Å; I134-L197 HydrophobicContact CD1-CD1 4.22Å; I134-L197 HydrophobicContact CG2-CB 4.28Å; I134-L197 HydrophobicContact CG2-CD1 4.36Å; I134-L197 HydrophobicContact CG2-CD2 4.41Å; F135-L197 HydrophobicContact CE1-CD2 3.86Å; F135-L197 HydrophobicContact CZ-CD1 4.49Å; F135-L197 HydrophobicContact CZ-CD2 3.84Å; I193-L197 WeakPolarHBondContact O-CB 3.31Å; I193-L197 PolarHBondContact O-N 3.49Å; T194-L197 WeakPolarHBondContact O-CA 3.32Å; T194-L197 WeakPolarHBondContact O-CB 3.34Å; T194-L197 PolarHBondContact O-N 2.91Å; L197-R200 PolarHBondContact O-N 2.73Å; L197-N201 WeakPolarHBondContact CD1-ND2 3.34Å; L197-N201 WeakPolarHBondContact O-CB 3.35Å; L197-N201 PolarHBondContact O-N 3.36Å; L197-N201 PolarHBondContact O-ND2 2.8Å |
| 198 | T | 98.4 | Very high | 98.1 | Very high | 28 Ų | 28 | 47.3 Ų | 47.3 | 17% | 0.172 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.3 | -36 | 176.7 | 63.2 | 0 | 0 | 0 | 0 | 112.2 | T194 M195 L196 R200 N201 L202 N203 T204 | T194-T198 WeakPolarHBondContact O-CG2 3.38Å; T194-T198 PolarHBondContact O-N 2.97Å; M195-T198 PolarHBondContact O-N 3.3Å; M195-T198 PolarHBondContact O-OG1 2.75Å; L196-T198 VanDerWaalsContact C-N 3.29Å; L196-T198 PolarHBondContact O-N 3.02Å; T198-R200 PolarHBondContact O-N 3.43Å; T198-N201 PolarHBondContact O-N 2.78Å; T198-L202 HydrophobicContact CG2-CD1 3.87Å; T198-L202 CarbonylContact O-C 3.53Å; T198-L202 WeakPolarHBondContact O-CA 3.35Å; T198-L202 WeakPolarHBondContact O-CB 3.43Å; T198-L202 PolarHBondContact O-N 2.89Å; T198-N203 PolarHBondContact O-N 3.03Å; T198-T204 WeakPolarHBondContact CB-OG1 3.5Å; T198-T204 PolarHBondContact O-OG1 3.12Å; T198-T204 PolarHBondContact OG1-OG1 3.07Å |
| 199 | D | 98.1 | Very high | 98 | Very high | 25 Ų | 25 | 48 Ų | 48 | 13% | 0.134 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.9 | -37.1 | 173.6 | -83.3 | 12 | 0 | 0 | 0 | 110.8 | M195 L196 T204 S205 F206 F207 | M195-D199 PolarHBondContact O-N 2.96Å; L196-D199 PolarHBondContact O-N 3.38Å; D199-T204 VanDerWaalsContact CA-OG1 3.31Å; D199-T204 WeakPolarHBondContact CA-OG1 3.41Å; D199-T204 PolarHBondContact N-OG1 3.32Å; D199-T204 WeakPolarHBondContact OD1-CB 3.44Å; D199-T204 PolarHBondContact OD1-OG1 2.91Å; D199-S205 WeakPolarHBondContact OD1-CA 3.23Å; D199-S205 PolarHBondContact OD1-N 2.84Å; D199-S205 VanDerWaalsContact OD1-N 3.12Å; D199-F206 VanDerWaalsContact CG-N 3.33Å; D199-F206 WeakPolarHBondContact OD1-CD2 3.17Å; D199-F206 PolarHBondContact OD1-N 3.26Å; D199-F206 PolarHBondContact OD2-N 2.97Å; D199-F207 PolarHBondContact OD2-N 2.57Å |
| 200 | R | 97.7 | Very high | 97.9 | Very high | 30 Ų | 30 | 51.2 Ų | 51.2 | 11% | 0.113 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.1 | -38.7 | 177.6 | -70.6 | 170.6 | 57.9 | 65.6 | 15.7 | 113.7 | S120 H125 G127 D131 L196 L197 T198 | S120-R200 WeakPolarHBondContact O-CD 3.19Å; S120-R200 PolarHBondContact O-NH1 2.89Å; H125-R200 PolarHBondContact O-NH1 2.74Å; H125-R200 PolarHBondContact O-NH2 2.91Å; G127-R200 PolarHBondContact O-NH2 3.19Å; D131-R200 IonicContact OD1-CZ 3.48Å; D131-R200 IonicContact OD1-NE 2.74Å; D131-R200 PolarHBondContact OD1-NE 3.18Å; D131-R200 IonicContact OD1-NH2 3.34Å; D131-R200 PolarHBondContact OD1-NH2 3.12Å; D131-R200 IonicContact OD2-CZ 3.86Å; D131-R200 IonicContact OD2-NE 3.86Å; D131-R200 IonicContact OD2-NH2 2.97Å; D131-R200 PolarHBondContact OD2-NH2 3.02Å; L196-R200 HydrophobicContact CD1-CG 4.4Å; L196-R200 WeakPolarHBondContact O-CB 3.45Å; L196-R200 VanDerWaalsContact O-CG 3.22Å; L196-R200 WeakPolarHBondContact O-CG 3.28Å; L196-R200 PolarHBondContact O-N 3.34Å; L197-R200 PolarHBondContact O-N 2.73Å; T198-R200 PolarHBondContact O-N 3.43Å |
| 201 | N | 98.1 | Very high | 97.7 | Very high | 86 Ų | 86 | 51.8 Ų | 51.8 | 46% | 0.46 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -120.7 | -20.4 | -163.4 | -64.4 | -79.3 | 0 | 0 | 0 | 115.2 | D131 L197 T198 | D131-N201 PolarHBondContact OD1-ND2 2.97Å; L197-N201 WeakPolarHBondContact CD1-ND2 3.34Å; L197-N201 WeakPolarHBondContact O-CB 3.35Å; L197-N201 PolarHBondContact O-N 3.36Å; L197-N201 PolarHBondContact O-ND2 2.8Å; T198-N201 PolarHBondContact O-N 2.78Å |
| 202 | L | 97.7 | Very high | 97.7 | Very high | 123 Ų | 123 | 53.8 Ų | 53.8 | 64% | 0.644 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -121.6 | 14.8 | -171.5 | -58.2 | -177.5 | 0 | 0 | 0 | 113.2 | T198 T204 | T198-L202 HydrophobicContact CG2-CD1 3.87Å; T198-L202 CarbonylContact O-C 3.53Å; T198-L202 WeakPolarHBondContact O-CA 3.35Å; T198-L202 WeakPolarHBondContact O-CB 3.43Å; T198-L202 PolarHBondContact O-N 2.89Å; L202-T204 PolarHBondContact O-N 2.86Å |
| 203 | N | 96 | Very high | 97.6 | Very high | 161 Ų | 161 | 54.6 Ų | 54.6 | 86% | 0.861 | 34% | 0.342 | S | S | * | . | trans | 55.2 | 32.6 | 179.6 | -55.1 | -56.2 | 0 | 0 | 0 | 113.7 | T198 | T198-N203 PolarHBondContact O-N 3.03Š| ||
| 204 | T | 97.9 | Very high | 97.6 | Very high | 50 Ų | 50 | 58 Ų | 58 | 31% | 0.307 | 36% | 0.36 | S | S | . | . | trans | -79.9 | 168.6 | 165.2 | 63.7 | 0 | 0 | 0 | 0 | 110.2 | T198 D199 L202 F206 | T198-T204 WeakPolarHBondContact CB-OG1 3.5Å; T198-T204 PolarHBondContact O-OG1 3.12Å; T198-T204 PolarHBondContact OG1-OG1 3.07Å; D199-T204 VanDerWaalsContact CA-OG1 3.31Å; D199-T204 WeakPolarHBondContact CA-OG1 3.41Å; D199-T204 PolarHBondContact N-OG1 3.32Å; D199-T204 WeakPolarHBondContact OD1-CB 3.44Å; D199-T204 PolarHBondContact OD1-OG1 2.91Å; L202-T204 PolarHBondContact O-N 2.86Å; T204-F206 HydrophobicContact CG2-CE2 4.25Å | ||
| 205 | S | 97.5 | Very high | 97.5 | Very high | 52 Ų | 52 | 56.4 Ų | 56.4 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | trans | -139.9 | 50.3 | -177.7 | 60.9 | 0 | 0 | 0 | 0 | 112.2 | D199 F207 G211 G213 | D199-S205 WeakPolarHBondContact OD1-CA 3.23Å; D199-S205 PolarHBondContact OD1-N 2.84Å; D199-S205 VanDerWaalsContact OD1-N 3.12Å; S205-F207 VanDerWaalsContact C-N 3.35Å; S205-G211 PolarHBondContact OG-O 3.4Å; S205-G213 VanDerWaalsContact O-CA 3.28Å; S205-G213 WeakPolarHBondContact O-CA 3.34Å; S205-G213 PolarHBondContact O-N 3.41Å | ||
| 206 | F | 98.4 | Very high | 97.5 | Very high | 89 Ų | 89 | 58.4 Ų | 58.4 | 39% | 0.39 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -64.1 | -40.7 | 176.2 | -72.2 | -77.2 | 0 | 0 | 0 | 112 | M195 D199 T204 G213 D214 | M195-F206 HydrophobicContact CB-CB 4.22Å; M195-F206 HydrophobicContact CB-CD2 3.77Å; M195-F206 HydrophobicContact CB-CE2 4.27Å; M195-F206 HydrophobicContact CB-CG 3.93Å; M195-F206 HydrophobicContact CG-CD1 4.09Å; M195-F206 HydrophobicContact CG-CD2 3.86Å; M195-F206 HydrophobicContact CG-CE1 4.15Å; M195-F206 HydrophobicContact CG-CE2 3.93Å; M195-F206 HydrophobicContact CG-CG 3.96Å; M195-F206 HydrophobicContact CG-CZ 4.07Å; M195-F206 HydrophobicContact SD-CD1 3.63Å; M195-F206 HydrophobicContact SD-CD2 4.47Å; M195-F206 HydrophobicContact SD-CE1 3.83Å; M195-F206 HydrophobicContact SD-CG 3.99Å; M195-F206 HydrophobicContact SD-CZ 4.35Å; D199-F206 VanDerWaalsContact CG-N 3.33Å; D199-F206 WeakPolarHBondContact OD1-CD2 3.17Å; D199-F206 PolarHBondContact OD1-N 3.26Å; D199-F206 PolarHBondContact OD2-N 2.97Å; T204-F206 HydrophobicContact CG2-CE2 4.25Å; F206-G213 WeakPolarHBondContact O-CA 3.24Å; F206-D214 PolarHBondContact O-N 2.95Å; F206-D214 VanDerWaalsContact O-N 3.12Å |
| 207 | F | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.009 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -118.1 | -1.8 | -173.3 | -49.7 | -56.6 | 0 | 0 | 0 | 113.7 | P117 M195 L196 D199 S205 P209 P215 L217 Y218 L221 | P117-F207 HydrophobicContact CB-CB 3.91Å; P117-F207 HydrophobicContact CG-CB 3.55Å; P117-F207 HydrophobicContact CG-CD2 4.06Å; P117-F207 HydrophobicContact CG-CG 3.83Å; M195-F207 HydrophobicContact CB-CE2 3.62Å; M195-F207 HydrophobicContact CB-CZ 3.73Å; M195-F207 HydrophobicContact CE-CZ 4.34Å; M195-F207 HydrophobicContact SD-CZ 4.49Å; L196-F207 HydrophobicContact CB-CD2 4.32Å; L196-F207 HydrophobicContact CB-CE2 4.03Å; L196-F207 HydrophobicContact CD1-CD2 4.39Å; D199-F207 PolarHBondContact OD2-N 2.57Å; S205-F207 VanDerWaalsContact C-N 3.35Å; F207-P209 WeakPolarHBondContact O-CD 3.35Å; F207-P215 VanDerWaalsContact O-CD 3.24Å; F207-P215 WeakPolarHBondContact O-CD 3.49Å; F207-P215 VanDerWaalsContact O-CG 3.28Å; F207-P215 WeakPolarHBondContact O-CG 3.22Å; F207-L217 HydrophobicContact CD1-CB 4.39Å; F207-L217 HydrophobicContact CE1-CB 4.29Å; F207-L217 HydrophobicContact CE1-CD2 4.2Å; F207-L217 HydrophobicContact CE1-CG 4.11Å; F207-Y218 HydrophobicContact CD2-CD2 4.1Å; F207-Y218 HydrophobicContact CE1-CD2 4.21Å; F207-Y218 HydrophobicContact CE1-CG 4.45Å; F207-Y218 AromaticContact CE2-CD2 3.66Å; F207-Y218 HydrophobicContact CE2-CD2 3.66Å; F207-Y218 HydrophobicContact CE2-CE2 4.47Å; F207-Y218 AromaticContact CZ-CD2 3.73Å; F207-Y218 HydrophobicContact CZ-CD2 3.73Å; F207-Y218 HydrophobicContact CZ-CG 4.39Å; F207-L221 HydrophobicContact CE1-CD1 4.29Å; F207-L221 HydrophobicContact CZ-CD1 4.32Å |
| 208 | D | 97.1 | Very high | 97.5 | Very high | 58 Ų | 58 | 60.5 Ų | 60.5 | 31% | 0.31 | 37% | 0.373 | S | S | . | . | trans | -89.7 | 112.8 | 177.6 | -178 | 3.7 | 0 | 0 | 0 | 111.7 | A210 G211 G212 G213 | D208-A210 PolarHBondContact O-N 3.29Å; D208-A210 WeakPolarHBondContact OD1-CB 3.48Å; D208-A210 PolarHBondContact OD1-N 2.97Å; D208-G211 PolarHBondContact O-N 3.15Å; D208-G212 PolarHBondContact O-N 3.44Å; D208-G213 WeakPolarHBondContact O-CA 3.24Å; D208-G213 PolarHBondContact O-N 2.94Å | ||
| 209 | P | 96.6 | Very high | 97.5 | Very high | 83 Ų | 83 | 63 Ų | 63 | 54% | 0.539 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -57.5 | -29 | 176.7 | -24.8 | 35.6 | 0 | 0 | 0 | 114.5 | F207 G211 G212 G213 P215 | F207-P209 WeakPolarHBondContact O-CD 3.35Å; P209-G211 PolarHBondContact O-N 3.11Å; P209-G212 PolarHBondContact O-N 3.27Å; P209-G212 VanDerWaalsContact O-N 3.1Å; P209-G213 WeakPolarHBondContact CA-O 3.31Å; P209-P215 HydrophobicContact CG-CG 4.03Å |
| 210 | A | 95.3 | Very high | 97.5 | Very high | 96 Ų | 96 | 68.3 Ų | 68.3 | 79% | 0.793 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -66.3 | -28.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D208 | D208-A210 PolarHBondContact O-N 3.29Å; D208-A210 WeakPolarHBondContact OD1-CB 3.48Å; D208-A210 PolarHBondContact OD1-N 2.97Å |
| 211 | G | 95.1 | Very high | 97.5 | Very high | 43 Ų | 43 | 68.9 Ų | 68.9 | 44% | 0.443 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -97.3 | 9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S205 D208 P209 | S205-G211 PolarHBondContact OG-O 3.4Å; D208-G211 PolarHBondContact O-N 3.15Å; P209-G211 PolarHBondContact O-N 3.11Å |
| 212 | G | 96.9 | Very high | 97.5 | Very high | 72 Ų | 72 | 66.4 Ų | 66.4 | 74% | 0.742 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.5 | 8.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | D208 P209 | D208-G212 PolarHBondContact O-N 3.44Å; P209-G212 PolarHBondContact O-N 3.27Å; P209-G212 VanDerWaalsContact O-N 3.1Å |
| 213 | G | 97.8 | Very high | 97.4 | Very high | 16 Ų | 16 | 70.2 Ų | 70.2 | 17% | 0.165 | 40% | 0.402 | C | S | . | . | trans | -77.6 | 172.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S205 F206 D208 P209 | S205-G213 VanDerWaalsContact O-CA 3.28Å; S205-G213 WeakPolarHBondContact O-CA 3.34Å; S205-G213 PolarHBondContact O-N 3.41Å; F206-G213 WeakPolarHBondContact O-CA 3.24Å; D208-G213 WeakPolarHBondContact O-CA 3.24Å; D208-G213 PolarHBondContact O-N 2.94Å; P209-G213 WeakPolarHBondContact CA-O 3.31Å | ||
| 214 | D | 98.1 | Very high | 97.5 | Very high | 75 Ų | 75 | 65.7 Ų | 65.7 | 40% | 0.401 | 38% | 0.379 | S | S | . | . | trans | -134.9 | 113.9 | -179.2 | -174.2 | -0 | 0 | 0 | 0 | 111.6 | F206 I216 L217 | F206-D214 PolarHBondContact O-N 2.95Å; F206-D214 VanDerWaalsContact O-N 3.12Å; D214-I216 PolarHBondContact O-N 2.86Å; D214-I216 VanDerWaalsContact O-N 3.14Å; D214-I216 VanDerWaalsContact OD1-CB 3.28Å; D214-I216 WeakPolarHBondContact OD1-CB 3.31Å; D214-I216 WeakPolarHBondContact OD1-CG1 3.39Å; D214-I216 PolarHBondContact OD1-N 3.35Å; D214-L217 HydrophobicContact CB-CB 4.32Å; D214-L217 VanDerWaalsContact O-CB 3.23Å; D214-L217 WeakPolarHBondContact O-CB 3.34Å; D214-L217 PolarHBondContact O-N 2.93Å | ||
| 215 | P | 97.4 | Very high | 97.5 | Very high | 26 Ų | 26 | 66.5 Ų | 66.5 | 17% | 0.169 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -56.7 | -24.8 | 172.5 | -24.8 | 32.8 | 0 | 0 | 0 | 114.2 | F207 P209 L217 Y218 Q219 | F207-P215 VanDerWaalsContact O-CD 3.24Å; F207-P215 WeakPolarHBondContact O-CD 3.49Å; F207-P215 VanDerWaalsContact O-CG 3.28Å; F207-P215 WeakPolarHBondContact O-CG 3.22Å; P209-P215 HydrophobicContact CG-CG 4.03Å; P215-L217 VanDerWaalsContact C-N 3.31Å; P215-Y218 WeakPolarHBondContact O-CB 3.28Å; P215-Y218 PolarHBondContact O-N 2.9Å; P215-Q219 PolarHBondContact O-N 2.85Å |
| 216 | I | 98.4 | Very high | 97.5 | Very high | 84 Ų | 84 | 67.3 Ų | 67.3 | 43% | 0.431 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -70.7 | -30.5 | 176.9 | -56.8 | 175.3 | 0 | 0 | 0 | 110.6 | D214 Y218 Q219 H220 | D214-I216 PolarHBondContact O-N 2.86Å; D214-I216 VanDerWaalsContact O-N 3.14Å; D214-I216 VanDerWaalsContact OD1-CB 3.28Å; D214-I216 WeakPolarHBondContact OD1-CB 3.31Å; D214-I216 WeakPolarHBondContact OD1-CG1 3.39Å; D214-I216 PolarHBondContact OD1-N 3.35Å; I216-Y218 PolarHBondContact O-N 3.35Å; I216-Q219 WeakPolarHBondContact O-CB 3.33Å; I216-Q219 PolarHBondContact O-N 2.92Å; I216-H220 PolarHBondContact O-CD2 3.04Å; I216-H220 PolarHBondContact O-N 3.1Å |
| 217 | L | 98.4 | Very high | 97.4 | Very high | 72 Ų | 72 | 66.1 Ų | 66.1 | 38% | 0.377 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.5 | -41.2 | 172 | 177.6 | 62.3 | 0 | 0 | 0 | 110.9 | F207 D214 P215 Q219 H220 L221 | F207-L217 HydrophobicContact CD1-CB 4.39Å; F207-L217 HydrophobicContact CE1-CB 4.29Å; F207-L217 HydrophobicContact CE1-CD2 4.2Å; F207-L217 HydrophobicContact CE1-CG 4.11Å; D214-L217 HydrophobicContact CB-CB 4.32Å; D214-L217 VanDerWaalsContact O-CB 3.23Å; D214-L217 WeakPolarHBondContact O-CB 3.34Å; D214-L217 PolarHBondContact O-N 2.93Å; P215-L217 VanDerWaalsContact C-N 3.31Å; L217-Q219 VanDerWaalsContact C-N 3.3Å; L217-Q219 PolarHBondContact O-N 3.45Å; L217-H220 PolarHBondContact O-N 3.3Å; L217-L221 HydrophobicContact CD1-CD1 4.25Å; L217-L221 HydrophobicContact CD1-CG 4.29Å; L217-L221 HydrophobicContact CG-CD1 4.03Å; L217-L221 VanDerWaalsContact O-CG 3.31Å; L217-L221 WeakPolarHBondContact O-CG 3.41Å; L217-L221 PolarHBondContact O-N 3.06Å |
| 218 | Y | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.6 | -44.8 | 175.1 | -174.8 | -77.8 | 0 | 0 | 0 | 110.9 | T114 Y116 P117 A192 L196 F207 P215 I216 H220 L221 F222 | T114-Y218 WeakPolarHBondContact O-CE1 3.49Å; T114-Y218 PolarHBondContact O-OH 3.19Å; Y116-Y218 AromaticContact CD1-CD1 3.51Å; Y116-Y218 HydrophobicContact CD1-CD1 3.51Å; Y116-Y218 AromaticContact CD1-CE1 3.65Å; Y116-Y218 HydrophobicContact CD1-CE1 3.65Å; Y116-Y218 AromaticContact CE1-CD1 3.95Å; Y116-Y218 HydrophobicContact CE1-CD1 3.95Å; Y116-Y218 HydrophobicContact CE1-CE1 4.06Å; P117-Y218 VanDerWaalsContact CD-CG 3.45Å; P117-Y218 HydrophobicContact CG-CD2 4.02Å; P117-Y218 HydrophobicContact CG-CG 3.91Å; A192-Y218 HydrophobicContact CB-CE2 4.31Å; L196-Y218 HydrophobicContact CB-CE2 4.15Å; L196-Y218 HydrophobicContact CD2-CE2 3.96Å; F207-Y218 HydrophobicContact CD2-CD2 4.1Å; F207-Y218 HydrophobicContact CE1-CD2 4.21Å; F207-Y218 HydrophobicContact CE1-CG 4.45Å; F207-Y218 AromaticContact CE2-CD2 3.66Å; F207-Y218 HydrophobicContact CE2-CD2 3.66Å; F207-Y218 HydrophobicContact CE2-CE2 4.47Å; F207-Y218 AromaticContact CZ-CD2 3.73Å; F207-Y218 HydrophobicContact CZ-CD2 3.73Å; F207-Y218 HydrophobicContact CZ-CG 4.39Å; P215-Y218 WeakPolarHBondContact O-CB 3.28Å; P215-Y218 PolarHBondContact O-N 2.9Å; I216-Y218 PolarHBondContact O-N 3.35Å; Y218-H220 VanDerWaalsContact C-N 3.31Å; Y218-H220 PolarHBondContact O-N 3.36Å; Y218-L221 PolarHBondContact O-N 3.23Å; Y218-L221 VanDerWaalsContact O-N 3.16Å; Y218-F222 HydrophobicContact CD1-CB 4.23Å; Y218-F222 HydrophobicContact CE1-CB 3.94Å; Y218-F222 AromaticContact CE1-CD2 3.93Å; Y218-F222 HydrophobicContact CE1-CD2 3.93Å; Y218-F222 HydrophobicContact CE1-CG 4.18Å; Y218-F222 WeakPolarHBondContact O-CB 3.4Å; Y218-F222 PolarHBondContact O-N 3.46Å |
| 219 | Q | 98.2 | Very high | 97.4 | Very high | 79 Ų | 79 | 70.9 Ų | 70.9 | 37% | 0.369 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 179.1 | -57.9 | -175.6 | 33 | 0 | 0 | 111.6 | Y116 P215 I216 L217 L221 F222 W223 | Y116-Q219 HydrophobicContact CD1-CG 4.1Å; Y116-Q219 HydrophobicContact CE1-CB 4.36Å; Y116-Q219 HydrophobicContact CE1-CG 3.73Å; P215-Q219 PolarHBondContact O-N 2.85Å; I216-Q219 WeakPolarHBondContact O-CB 3.33Å; I216-Q219 PolarHBondContact O-N 2.92Å; L217-Q219 VanDerWaalsContact C-N 3.3Å; L217-Q219 PolarHBondContact O-N 3.45Å; Q219-L221 VanDerWaalsContact C-N 3.3Å; Q219-L221 PolarHBondContact O-N 3.23Å; Q219-F222 PolarHBondContact O-N 2.79Å; Q219-W223 PolarHBondContact O-N 3.37Å; Q219-W223 VanDerWaalsContact O-N 3.1Å |
| 220 | H | 98.3 | Very high | 97.4 | Very high | 138 Ų | 138 | 70 Ų | 70 | 64% | 0.639 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64.7 | -31.1 | 176.1 | -76.9 | -57.6 | 0 | 0 | 0 | 114 | I216 L217 Y218 | I216-H220 PolarHBondContact O-CD2 3.04Å; I216-H220 PolarHBondContact O-N 3.1Å; L217-H220 PolarHBondContact O-N 3.3Å; Y218-H220 VanDerWaalsContact C-N 3.31Å; Y218-H220 PolarHBondContact O-N 3.36Å |
| 221 | L | 98 | Very high | 97.6 | Very high | 41 Ų | 41 | 68 Ų | 68 | 22% | 0.215 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -82.8 | -26.9 | 177.1 | -64.4 | 167.4 | 0 | 0 | 0 | 112.3 | V188 A192 M195 F207 L217 Y218 Q219 | V188-L221 HydrophobicContact CG1-CB 4.33Å; V188-L221 HydrophobicContact CG1-CD2 4.01Å; V188-L221 WeakPolarHBondContact CG1-O 3.36Å; A192-L221 HydrophobicContact CB-CB 3.72Å; A192-L221 HydrophobicContact CB-CD1 4.24Å; M195-L221 HydrophobicContact CE-CD1 3.34Å; F207-L221 HydrophobicContact CE1-CD1 4.29Å; F207-L221 HydrophobicContact CZ-CD1 4.32Å; L217-L221 HydrophobicContact CD1-CD1 4.25Å; L217-L221 HydrophobicContact CD1-CG 4.29Å; L217-L221 HydrophobicContact CG-CD1 4.03Å; L217-L221 VanDerWaalsContact O-CG 3.31Å; L217-L221 WeakPolarHBondContact O-CG 3.41Å; L217-L221 PolarHBondContact O-N 3.06Å; Y218-L221 PolarHBondContact O-N 3.23Å; Y218-L221 VanDerWaalsContact O-N 3.16Å; Q219-L221 VanDerWaalsContact C-N 3.3Å; Q219-L221 PolarHBondContact O-N 3.23Å |
| 222 | F | 97.4 | Very high | 97.8 | Very high | 35 Ų | 35 | 70.1 Ų | 70.1 | 15% | 0.154 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -77.8 | -39.6 | -179.2 | -175.9 | -87.8 | 0 | 0 | 0 | 112.8 | W113 T114 L189 Y218 Q219 | W113-F222 HydrophobicContact CD2-CZ 4.39Å; W113-F222 HydrophobicContact CE3-CE1 4.48Å; W113-F222 AromaticContact CE3-CZ 3.8Å; W113-F222 HydrophobicContact CE3-CZ 3.8Å; W113-F222 AromaticContact CH2-CE1 3.8Å; W113-F222 HydrophobicContact CH2-CE1 3.8Å; W113-F222 AromaticContact CH2-CZ 3.9Å; W113-F222 HydrophobicContact CH2-CZ 3.9Å; W113-F222 HydrophobicContact CZ2-CE1 4.25Å; W113-F222 HydrophobicContact CZ2-CZ 4.48Å; W113-F222 AromaticContact CZ3-CE1 3.94Å; W113-F222 HydrophobicContact CZ3-CE1 3.94Å; W113-F222 AromaticContact CZ3-CZ 3.54Å; W113-F222 HydrophobicContact CZ3-CZ 3.54Å; T114-F222 HydrophobicContact CG2-CD1 4.41Å; T114-F222 HydrophobicContact CG2-CE1 3.73Å; T114-F222 HydrophobicContact CG2-CZ 3.98Å; L189-F222 HydrophobicContact CD1-CD2 3.84Å; L189-F222 HydrophobicContact CD1-CE2 4.03Å; Y218-F222 HydrophobicContact CD1-CB 4.23Å; Y218-F222 HydrophobicContact CE1-CB 3.94Å; Y218-F222 AromaticContact CE1-CD2 3.93Å; Y218-F222 HydrophobicContact CE1-CD2 3.93Å; Y218-F222 HydrophobicContact CE1-CG 4.18Å; Y218-F222 WeakPolarHBondContact O-CB 3.4Å; Y218-F222 PolarHBondContact O-N 3.46Å; Q219-F222 PolarHBondContact O-N 2.79Å |
| 223 | W | 96.4 | Very high | 97.9 | Very high | 203 Ų | 203 | 69.9 Ų | 69.9 | 77% | 0.769 | 34% | 0.335 | S | S | * | . | trans | -89.2 | 0 | -177.9 | -68.7 | 120.2 | 0 | 0 | 0 | 113.1 | W113 T114 Y116 Q219 | W113-W223 HydrophobicContact CH2-CH2 4.34Å; W113-W223 HydrophobicContact CH2-CZ3 4.27Å; W113-W223 AromaticContact CZ2-CH2 3.87Å; W113-W223 HydrophobicContact CZ2-CH2 3.87Å; W113-W223 HydrophobicContact CZ2-CZ3 4.24Å; T114-W223 HydrophobicContact CG2-CZ2 4.35Å; Y116-W223 PolarHBondContact OH-NE1 3.2Å; Q219-W223 PolarHBondContact O-N 3.37Å; Q219-W223 VanDerWaalsContact O-N 3.1Å |
Retrieved 223 of 223 residues in 212.4 ms
(Link to these results)