| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 88.8 | Confident | 97.2 | Very high | 145 Ų | 145 | 60.2 Ų | 60.2 | 71% | 0.714 | 36% | 0.361 | S | S | * | . | 0 | -63.9 | 0 | -163.6 | 169.3 | 72.4 | 0 | 0 | 113.1 | A3 N4 I5 | M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.25Å; M1-N4 WeakPolarHBondContact O-CB 3.24Å; M1-N4 PolarHBondContact O-N 3Å; M1-I5 HydrophobicContact CG-CD1 3.91Å; M1-I5 HydrophobicContact CG-CG1 4.36Å; M1-I5 WeakPolarHBondContact O-CG1 3.32Å; M1-I5 PolarHBondContact O-N 2.78Å | |||
| 2 | A | 94.6 | Very high | 97.3 | Very high | 79 Ų | 79 | 55.2 Ų | 55.2 | 65% | 0.653 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -55.8 | -41.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | I5 A6 | A2-I5 PolarHBondContact O-N 2.71Å; A2-A6 PolarHBondContact O-N 2.93Å |
| 3 | A | 97.2 | Very high | 97.4 | Very high | 66 Ų | 66 | 54.1 Ų | 54.1 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1 I5 A6 F7 A216 | M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.25Å; A3-I5 VanDerWaalsContact C-N 3.34Å; A3-I5 PolarHBondContact O-N 3.09Å; A3-A6 PolarHBondContact O-N 3.3Å; A3-F7 VanDerWaalsContact O-CB 3.29Å; A3-F7 WeakPolarHBondContact O-CB 3.44Å; A3-F7 PolarHBondContact O-N 3.23Å; A3-A216 HydrophobicContact CB-CB 4.46Å |
| 4 | N | 98.1 | Very high | 97.5 | Very high | 30 Ų | 30 | 52.1 Ų | 52.1 | 16% | 0.16 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 176.3 | -60.5 | 0.1 | 0 | 0 | 0 | 111.3 | M1 F7 I8 I88 A216 | M1-N4 WeakPolarHBondContact O-CB 3.24Å; M1-N4 PolarHBondContact O-N 3Å; N4-F7 PolarHBondContact O-N 3.24Å; N4-I8 WeakPolarHBondContact O-CB 3.27Å; N4-I8 VanDerWaalsContact O-CG1 3.31Å; N4-I8 WeakPolarHBondContact O-CG1 3.44Å; N4-I8 PolarHBondContact O-N 2.89Å; N4-I88 HydrophobicContact CB-CG2 3.61Å; N4-A216 PolarHBondContact OD1-N 2.72Å |
| 5 | I | 98.4 | Very high | 97.6 | Very high | 46 Ų | 46 | 48.7 Ų | 48.7 | 24% | 0.236 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.2 | -51.3 | 176.4 | -68.4 | 172.4 | 0 | 0 | 0 | 110.5 | M1 A2 A3 F7 I8 L9 P89 L92 | M1-I5 HydrophobicContact CG-CD1 3.91Å; M1-I5 HydrophobicContact CG-CG1 4.36Å; M1-I5 WeakPolarHBondContact O-CG1 3.32Å; M1-I5 PolarHBondContact O-N 2.78Å; A2-I5 PolarHBondContact O-N 2.71Å; A3-I5 VanDerWaalsContact C-N 3.34Å; A3-I5 PolarHBondContact O-N 3.09Å; I5-F7 VanDerWaalsContact C-N 3.33Å; I5-F7 PolarHBondContact O-N 2.79Å; I5-I8 PolarHBondContact O-N 3.15Å; I5-L9 HydrophobicContact CG2-CD1 3.85Å; I5-L9 HydrophobicContact CG2-CG 4.49Å; I5-L9 WeakPolarHBondContact O-CB 3.41Å; I5-L9 VanDerWaalsContact O-CG 3.27Å; I5-L9 WeakPolarHBondContact O-CG 3.2Å; I5-L9 PolarHBondContact O-N 3.08Å; I5-P89 HydrophobicContact CD1-CG 4Å; I5-P89 HydrophobicContact CG1-CG 4.31Å; I5-L92 HydrophobicContact CB-CD2 4.22Å; I5-L92 HydrophobicContact CG1-CD2 4.32Å; I5-L92 HydrophobicContact CG2-CD2 4.03Å |
| 6 | A | 98.5 | Very high | 97.7 | Very high | 51 Ų | 51 | 51.2 Ų | 51.2 | 42% | 0.421 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A2 A3 I10 | A2-A6 PolarHBondContact O-N 2.93Å; A3-A6 PolarHBondContact O-N 3.3Å; A6-I10 WeakPolarHBondContact O-CG1 3.03Å; A6-I10 PolarHBondContact O-N 3.33Å; A6-I10 VanDerWaalsContact O-N 3.11Å |
| 7 | F | 98.5 | Very high | 97.7 | Very high | 40 Ų | 40 | 51.1 Ų | 51.1 | 18% | 0.175 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.1 | -51.4 | 177.8 | 175.6 | -117.6 | 0 | 0 | 0 | 112 | A3 N4 I5 L9 I10 C11 G210 A215 A216 A220 | A3-F7 VanDerWaalsContact O-CB 3.29Å; A3-F7 WeakPolarHBondContact O-CB 3.44Å; A3-F7 PolarHBondContact O-N 3.23Å; N4-F7 PolarHBondContact O-N 3.24Å; I5-F7 VanDerWaalsContact C-N 3.33Å; I5-F7 PolarHBondContact O-N 2.79Å; F7-L9 PolarHBondContact O-N 3.01Å; F7-I10 WeakPolarHBondContact O-CB 3.46Å; F7-I10 PolarHBondContact O-N 3.06Å; F7-I10 VanDerWaalsContact O-N 3.13Å; F7-C11 WeakPolarHBondContact CE2-SG 3.44Å; F7-C11 WeakPolarHBondContact CZ-SG 3.49Å; F7-C11 PolarHBondContact O-N 2.88Å; F7-C11 PolarHBondContact O-SG 3.14Å; F7-C11 VanDerWaalsContact O-SG 3.32Å; F7-G210 WeakPolarHBondContact CZ-O 3.33Å; F7-A215 VanDerWaalsContact CE1-O 3.28Å; F7-A215 WeakPolarHBondContact CE1-O 3.21Å; F7-A216 HydrophobicContact CB-CB 3.9Å; F7-A216 HydrophobicContact CD1-CB 4.2Å; F7-A216 HydrophobicContact CG-CB 4.05Å; F7-A220 HydrophobicContact CE1-CB 3.95Å; F7-A220 HydrophobicContact CZ-CB 3.81Å |
| 8 | I | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.3 | -29.6 | -176.9 | -59.9 | -58.4 | 0 | 0 | 0 | 112.3 | N4 I5 C11 S12 I88 L92 F96 G211 | N4-I8 WeakPolarHBondContact O-CB 3.27Å; N4-I8 VanDerWaalsContact O-CG1 3.31Å; N4-I8 WeakPolarHBondContact O-CG1 3.44Å; N4-I8 PolarHBondContact O-N 2.89Å; I5-I8 PolarHBondContact O-N 3.15Å; I8-C11 PolarHBondContact O-N 3.14Å; I8-S12 WeakPolarHBondContact O-CB 3.5Å; I8-S12 PolarHBondContact O-N 3.06Å; I8-S12 PolarHBondContact O-OG 3.44Å; I8-I88 HydrophobicContact CG1-CD1 4.25Å; I8-I88 HydrophobicContact CG1-CG2 4.34Å; I8-I88 HydrophobicContact CG2-CD1 4.15Å; I8-L92 HydrophobicContact CB-CD2 3.98Å; I8-L92 HydrophobicContact CB-CG 4.19Å; I8-L92 HydrophobicContact CG2-CD1 4.02Å; I8-L92 HydrophobicContact CG2-CD2 4.13Å; I8-L92 HydrophobicContact CG2-CG 3.77Å; I8-F96 HydrophobicContact CG2-CB 3.89Å; I8-F96 HydrophobicContact CG2-CD2 4.28Å; I8-F96 HydrophobicContact CG2-CG 4.06Å; I8-G211 WeakPolarHBondContact CD1-O 3.21Å |
| 9 | L | 98.7 | Very high | 97.9 | Very high | 92 Ų | 92 | 45.7 Ų | 45.7 | 48% | 0.482 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 168.6 | -77.2 | 168.1 | 0 | 0 | 0 | 111.5 | I5 F7 S12 G13 L92 | I5-L9 HydrophobicContact CG2-CD1 3.85Å; I5-L9 HydrophobicContact CG2-CG 4.49Å; I5-L9 WeakPolarHBondContact O-CB 3.41Å; I5-L9 VanDerWaalsContact O-CG 3.27Å; I5-L9 WeakPolarHBondContact O-CG 3.2Å; I5-L9 PolarHBondContact O-N 3.08Å; F7-L9 PolarHBondContact O-N 3.01Å; L9-S12 PolarHBondContact O-N 3.36Å; L9-G13 PolarHBondContact O-N 3.17Å; L9-L92 HydrophobicContact CD2-CD1 3.57Å; L9-L92 HydrophobicContact CG-CD1 3.79Å; L9-L92 HydrophobicContact CG-CD2 4.26Å |
| 10 | I | 98.8 | Very high | 97.9 | Very high | 111 Ų | 111 | 45.1 Ų | 45.1 | 57% | 0.569 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.7 | -48.4 | 176.4 | -68 | 165.7 | 0 | 0 | 0 | 110.3 | A6 F7 S12 G13 L14 | A6-I10 WeakPolarHBondContact O-CG1 3.03Å; A6-I10 PolarHBondContact O-N 3.33Å; A6-I10 VanDerWaalsContact O-N 3.11Å; F7-I10 WeakPolarHBondContact O-CB 3.46Å; F7-I10 PolarHBondContact O-N 3.06Å; F7-I10 VanDerWaalsContact O-N 3.13Å; I10-S12 VanDerWaalsContact C-N 3.28Å; I10-S12 PolarHBondContact O-N 3.22Å; I10-G13 PolarHBondContact O-N 2.99Å; I10-G13 VanDerWaalsContact O-N 3.08Å; I10-L14 HydrophobicContact CG2-CD1 4.23Å; I10-L14 HydrophobicContact CG2-CG 4.38Å; I10-L14 WeakPolarHBondContact O-CG 3.45Å; I10-L14 PolarHBondContact O-N 2.95Å |
| 11 | C | 98.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.6 | -40.9 | 177.3 | -68.7 | 0 | 0 | 0 | 0 | 111.8 | F7 I8 G13 L14 V15 F96 G211 | F7-C11 WeakPolarHBondContact CE2-SG 3.44Å; F7-C11 WeakPolarHBondContact CZ-SG 3.49Å; F7-C11 PolarHBondContact O-N 2.88Å; F7-C11 PolarHBondContact O-SG 3.14Å; F7-C11 VanDerWaalsContact O-SG 3.32Å; I8-C11 PolarHBondContact O-N 3.14Å; C11-G13 VanDerWaalsContact C-N 3.33Å; C11-G13 PolarHBondContact O-N 3.27Å; C11-L14 WeakPolarHBondContact O-CB 3.34Å; C11-L14 PolarHBondContact O-N 3.41Å; C11-L14 VanDerWaalsContact O-N 3.14Å; C11-V15 WeakPolarHBondContact O-CG2 3.14Å; C11-V15 PolarHBondContact O-N 3.01Å; C11-F96 HydrophobicContact CB-CD2 4.31Å; C11-F96 HydrophobicContact CB-CE2 3.82Å; C11-G211 VanDerWaalsContact SG-CA 3.58Å |
| 12 | S | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.6 | -44 | 175.4 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | I8 L9 I10 L14 V15 F16 F96 M99 | I8-S12 WeakPolarHBondContact O-CB 3.5Å; I8-S12 PolarHBondContact O-N 3.06Å; I8-S12 PolarHBondContact O-OG 3.44Å; L9-S12 PolarHBondContact O-N 3.36Å; I10-S12 VanDerWaalsContact C-N 3.28Å; I10-S12 PolarHBondContact O-N 3.22Å; S12-L14 VanDerWaalsContact C-N 3.34Å; S12-L14 PolarHBondContact O-N 3.47Å; S12-V15 PolarHBondContact O-N 2.88Å; S12-F16 WeakPolarHBondContact O-CB 3.49Å; S12-F16 PolarHBondContact O-N 2.72Å; S12-F96 WeakPolarHBondContact OG-CA 3.21Å; S12-F96 WeakPolarHBondContact OG-CB 3.2Å; S12-M99 WeakPolarHBondContact O-CG 3.49Å |
| 13 | G | 98.7 | Very high | 98.6 | Very high | 41 Ų | 41 | 32.5 Ų | 32.5 | 42% | 0.423 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.7 | -36.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L9 I10 C11 F16 L17 | L9-G13 PolarHBondContact O-N 3.17Å; I10-G13 PolarHBondContact O-N 2.99Å; I10-G13 VanDerWaalsContact O-N 3.08Å; C11-G13 VanDerWaalsContact C-N 3.33Å; C11-G13 PolarHBondContact O-N 3.27Å; G13-F16 WeakPolarHBondContact O-CB 3.38Å; G13-L17 PolarHBondContact O-N 2.76Å; G13-L17 VanDerWaalsContact O-N 3.08Å |
| 14 | L | 98.8 | Very high | 98.6 | Very high | 27 Ų | 27 | 32.1 Ų | 32.1 | 14% | 0.141 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.5 | -40.6 | 175.4 | -69.6 | -179.6 | 0 | 0 | 0 | 112.3 | I10 C11 S12 L17 M18 F203 G204 | I10-L14 HydrophobicContact CG2-CD1 4.23Å; I10-L14 HydrophobicContact CG2-CG 4.38Å; I10-L14 WeakPolarHBondContact O-CG 3.45Å; I10-L14 PolarHBondContact O-N 2.95Å; C11-L14 WeakPolarHBondContact O-CB 3.34Å; C11-L14 PolarHBondContact O-N 3.41Å; C11-L14 VanDerWaalsContact O-N 3.14Å; S12-L14 VanDerWaalsContact C-N 3.34Å; S12-L14 PolarHBondContact O-N 3.47Å; L14-L17 WeakPolarHBondContact O-CB 3.38Å; L14-L17 PolarHBondContact O-N 2.94Å; L14-M18 PolarHBondContact O-N 3.22Å; L14-F203 HydrophobicContact CD2-CD1 3.81Å; L14-F203 HydrophobicContact CD2-CE1 3.28Å; L14-F203 HydrophobicContact CD2-CE2 4.4Å; L14-F203 HydrophobicContact CD2-CZ 3.63Å; L14-G204 VanDerWaalsContact O-CA 3.28Å; L14-G204 WeakPolarHBondContact O-CA 3.12Å |
| 15 | V | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.2 | -40.6 | 175.8 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | C11 S12 L17 M18 F96 M99 F100 F208 | C11-V15 WeakPolarHBondContact O-CG2 3.14Å; C11-V15 PolarHBondContact O-N 3.01Å; S12-V15 PolarHBondContact O-N 2.88Å; V15-L17 VanDerWaalsContact C-N 3.28Å; V15-L17 PolarHBondContact O-N 3.26Å; V15-M18 HydrophobicContact CG1-SD 4.39Å; V15-M18 VanDerWaalsContact O-CB 3.26Å; V15-M18 WeakPolarHBondContact O-CB 3.46Å; V15-M18 PolarHBondContact O-N 3.34Å; V15-F96 HydrophobicContact CG2-CE2 3.93Å; V15-M99 HydrophobicContact CB-CB 3.69Å; V15-M99 HydrophobicContact CB-CG 4.41Å; V15-M99 HydrophobicContact CG1-CB 3.39Å; V15-F100 HydrophobicContact CG1-CD2 4.18Å; V15-F100 HydrophobicContact CG1-CE2 4.22Å; V15-F100 HydrophobicContact CG2-CE2 4.17Å; V15-F208 HydrophobicContact CG1-CD2 3.77Å; V15-F208 HydrophobicContact CG1-CE2 4.28Å; V15-F208 VanDerWaalsContact CG2-CA 3.47Å; V15-F208 HydrophobicContact CG2-CB 3.92Å; V15-F208 HydrophobicContact CG2-CD2 4.11Å; V15-F208 HydrophobicContact CG2-CG 4.36Å |
| 16 | F | 98.8 | Very high | 98.6 | Very high | 89 Ų | 89 | 29 Ų | 29 | 39% | 0.39 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -52.8 | -47.8 | 172.5 | 173.9 | -97.8 | 0 | 0 | 0 | 111.7 | S12 G13 M18 T19 P20 M46 M99 L102 | S12-F16 WeakPolarHBondContact O-CB 3.49Å; S12-F16 PolarHBondContact O-N 2.72Å; G13-F16 WeakPolarHBondContact O-CB 3.38Å; F16-M18 PolarHBondContact O-N 2.69Å; F16-M18 VanDerWaalsContact O-N 3.13Å; F16-T19 PolarHBondContact O-N 2.7Å; F16-T19 VanDerWaalsContact O-N 3.12Å; F16-P20 WeakPolarHBondContact O-CD 3.38Å; F16-M46 HydrophobicContact CD2-CE 4.27Å; F16-M46 HydrophobicContact CE1-CE 3.85Å; F16-M46 HydrophobicContact CE2-CE 3.32Å; F16-M46 HydrophobicContact CZ-CE 3.07Å; F16-M99 HydrophobicContact CB-SD 3.6Å; F16-M99 VanDerWaalsContact CB-SD 3.6Å; F16-M99 HydrophobicContact CD2-SD 3.93Å; F16-M99 HydrophobicContact CG-SD 4.25Å; F16-L102 HydrophobicContact CD2-CD2 4.21Å |
| 17 | L | 98.7 | Very high | 98.6 | Very high | 49 Ų | 49 | 26.6 Ų | 26.6 | 26% | 0.257 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -56.5 | -27.5 | 179.4 | 175.6 | 66.5 | 0 | 0 | 0 | 112.9 | G13 L14 V15 T19 P20 A21 L200 F203 | G13-L17 PolarHBondContact O-N 2.76Å; G13-L17 VanDerWaalsContact O-N 3.08Å; L14-L17 WeakPolarHBondContact O-CB 3.38Å; L14-L17 PolarHBondContact O-N 2.94Å; V15-L17 VanDerWaalsContact C-N 3.28Å; V15-L17 PolarHBondContact O-N 3.26Å; L17-T19 PolarHBondContact O-N 3.17Å; L17-P20 VanDerWaalsContact O-CD 3.24Å; L17-P20 WeakPolarHBondContact O-CD 3.3Å; L17-P20 WeakPolarHBondContact O-CG 3.4Å; L17-A21 VanDerWaalsContact O-CB 3.27Å; L17-A21 WeakPolarHBondContact O-CB 3.35Å; L17-A21 PolarHBondContact O-N 3.14Å; L17-L200 HydrophobicContact CD2-CD2 4.3Å; L17-F203 HydrophobicContact CD2-CD1 3.9Å; L17-F203 HydrophobicContact CD2-CE1 4.37Å |
| 18 | M | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.5 | -30.7 | 179.5 | -63.3 | 175.8 | 61.3 | 0 | 0 | 112.6 | L14 V15 F16 A21 L22 I103 L201 G204 W205 F208 | L14-M18 PolarHBondContact O-N 3.22Å; V15-M18 HydrophobicContact CG1-SD 4.39Å; V15-M18 VanDerWaalsContact O-CB 3.26Å; V15-M18 WeakPolarHBondContact O-CB 3.46Å; V15-M18 PolarHBondContact O-N 3.34Å; F16-M18 PolarHBondContact O-N 2.69Å; F16-M18 VanDerWaalsContact O-N 3.13Å; M18-A21 WeakPolarHBondContact O-CB 3.41Å; M18-A21 PolarHBondContact O-N 2.69Å; M18-L22 WeakPolarHBondContact O-CB 3.3Å; M18-L22 PolarHBondContact O-N 3.13Å; M18-I103 HydrophobicContact CB-CD1 4.02Å; M18-I103 HydrophobicContact CB-CG1 4.22Å; M18-I103 HydrophobicContact CE-CG1 4.49Å; M18-L201 HydrophobicContact CB-CD2 3.92Å; M18-L201 HydrophobicContact CE-CD2 4.35Å; M18-L201 HydrophobicContact CG-CD2 4.41Å; M18-L201 WeakPolarHBondContact O-CD2 3.48Å; M18-G204 VanDerWaalsContact SD-C 3.51Å; M18-W205 HydrophobicContact CE-CD2 3.5Å; M18-W205 VanDerWaalsContact CE-CD2 3.5Å; M18-W205 HydrophobicContact CE-CE3 3.24Å; M18-W205 HydrophobicContact CE-CG 4.15Å; M18-W205 HydrophobicContact CE-CH2 4.08Å; M18-W205 HydrophobicContact CE-CZ2 4.3Å; M18-W205 HydrophobicContact CE-CZ3 3.55Å; M18-F208 HydrophobicContact CE-CD2 3.82Å; M18-F208 HydrophobicContact CE-CE2 4.4Å; M18-F208 HydrophobicContact CE-CG 4.37Å; M18-F208 HydrophobicContact SD-CB 3.87Å; M18-F208 HydrophobicContact SD-CD2 3.59Å; M18-F208 VanDerWaalsContact SD-CD2 3.59Å; M18-F208 HydrophobicContact SD-CG 4.12Å |
| 19 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.7 | -54.6 | -178.9 | -52.1 | 0 | 0 | 0 | 0 | 112.3 | F16 L17 A21 L22 A23 V42 M46 A106 | F16-T19 PolarHBondContact O-N 2.7Å; F16-T19 VanDerWaalsContact O-N 3.12Å; L17-T19 PolarHBondContact O-N 3.17Å; T19-A21 VanDerWaalsContact C-N 3.27Å; T19-A21 PolarHBondContact O-N 3.18Å; T19-L22 WeakPolarHBondContact O-CB 3.38Å; T19-L22 PolarHBondContact O-N 3.46Å; T19-A23 PolarHBondContact O-N 2.65Å; T19-A23 VanDerWaalsContact O-N 3.11Å; T19-V42 HydrophobicContact CG2-CG1 3.91Å; T19-V42 WeakPolarHBondContact O-CG1 3.36Å; T19-M46 HydrophobicContact CG2-CG 3.48Å; T19-M46 VanDerWaalsContact CG2-CG 3.48Å; T19-M46 HydrophobicContact CG2-SD 4.05Å; T19-A106 HydrophobicContact CG2-CB 4.05Å |
| 20 | P | 98.6 | Very high | 98.1 | Very high | 33 Ų | 33 | 21.7 Ų | 21.7 | 21% | 0.214 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.1 | -29.4 | 172 | 25.3 | -32.7 | 0 | 0 | 0 | 112.9 | F16 L17 L22 A23 F24 M46 | F16-P20 WeakPolarHBondContact O-CD 3.38Å; L17-P20 VanDerWaalsContact O-CD 3.24Å; L17-P20 WeakPolarHBondContact O-CD 3.3Å; L17-P20 WeakPolarHBondContact O-CG 3.4Å; P20-L22 VanDerWaalsContact C-N 3.34Å; P20-A23 WeakPolarHBondContact O-CB 3.41Å; P20-A23 PolarHBondContact O-N 2.87Å; P20-F24 WeakPolarHBondContact O-CD2 3.3Å; P20-F24 PolarHBondContact O-N 3.2Å; P20-M46 HydrophobicContact CG-CE 4.45Å |
| 21 | A | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.9 | -41.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L17 M18 T19 A23 F24 F25 G197 L200 L201 | L17-A21 VanDerWaalsContact O-CB 3.27Å; L17-A21 WeakPolarHBondContact O-CB 3.35Å; L17-A21 PolarHBondContact O-N 3.14Å; M18-A21 WeakPolarHBondContact O-CB 3.41Å; M18-A21 PolarHBondContact O-N 2.69Å; T19-A21 VanDerWaalsContact C-N 3.27Å; T19-A21 PolarHBondContact O-N 3.18Å; A21-A23 VanDerWaalsContact C-N 3.29Å; A21-A23 PolarHBondContact O-N 3.39Å; A21-F24 PolarHBondContact O-N 3.16Å; A21-F25 PolarHBondContact O-N 3.1Å; A21-G197 WeakPolarHBondContact O-CA 3.43Å; A21-L200 HydrophobicContact CB-CB 3.45Å; A21-L200 VanDerWaalsContact CB-CB 3.45Å; A21-L200 HydrophobicContact CB-CD1 4.41Å; A21-L201 HydrophobicContact CB-CD2 4.08Å; A21-L201 HydrophobicContact CB-CG 3.87Å |
| 22 | L | 98.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.016 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.7 | -35.8 | 174.1 | -169.6 | 65.7 | 0 | 0 | 0 | 111.6 | M18 T19 P20 F24 F25 Y26 V42 I103 A106 I107 L201 | M18-L22 WeakPolarHBondContact O-CB 3.3Å; M18-L22 PolarHBondContact O-N 3.13Å; T19-L22 WeakPolarHBondContact O-CB 3.38Å; T19-L22 PolarHBondContact O-N 3.46Å; P20-L22 VanDerWaalsContact C-N 3.34Å; L22-F24 VanDerWaalsContact C-N 3.31Å; L22-F24 PolarHBondContact O-N 2.87Å; L22-F25 HydrophobicContact CD1-CD1 4.18Å; L22-F25 PolarHBondContact O-N 3.06Å; L22-Y26 HydrophobicContact CD1-CD1 4.05Å; L22-Y26 HydrophobicContact CD1-CD2 4.34Å; L22-Y26 HydrophobicContact CD1-CE1 3.67Å; L22-Y26 HydrophobicContact CD1-CE2 3.98Å; L22-Y26 HydrophobicContact CD1-CG 4.37Å; L22-Y26 HydrophobicContact CD2-CD2 4.37Å; L22-Y26 HydrophobicContact CD2-CE2 3.8Å; L22-Y26 HydrophobicContact CG-CD2 3.99Å; L22-Y26 HydrophobicContact CG-CE1 4.36Å; L22-Y26 HydrophobicContact CG-CE2 3.81Å; L22-Y26 HydrophobicContact CG-CG 4.33Å; L22-Y26 WeakPolarHBondContact O-CB 3.27Å; L22-Y26 PolarHBondContact O-N 2.75Å; L22-V42 HydrophobicContact CB-CG1 4.34Å; L22-I103 HydrophobicContact CB-CD1 4Å; L22-I103 HydrophobicContact CD2-CD1 3.72Å; L22-I103 HydrophobicContact CG-CD1 4.45Å; L22-A106 HydrophobicContact CD2-CB 3.83Å; L22-I107 HydrophobicContact CD2-CG1 3.87Å; L22-L201 HydrophobicContact CB-CD2 4.25Å; L22-L201 HydrophobicContact CD1-CD1 4.1Å |
| 23 | A | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.7 | -42.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T19 P20 A21 G27 M39 V42 I43 | T19-A23 PolarHBondContact O-N 2.65Å; T19-A23 VanDerWaalsContact O-N 3.11Å; P20-A23 WeakPolarHBondContact O-CB 3.41Å; P20-A23 PolarHBondContact O-N 2.87Å; A21-A23 VanDerWaalsContact C-N 3.29Å; A21-A23 PolarHBondContact O-N 3.39Å; A23-G27 WeakPolarHBondContact O-CA 3.38Å; A23-G27 PolarHBondContact O-N 2.79Å; A23-M39 HydrophobicContact CB-CB 4.25Å; A23-M39 HydrophobicContact CB-CE 4.39Å; A23-M39 HydrophobicContact CB-CG 4.19Å; A23-M39 WeakPolarHBondContact O-CG 3.31Å; A23-V42 HydrophobicContact CB-CB 4.02Å; A23-V42 HydrophobicContact CB-CG1 3.73Å; A23-I43 HydrophobicContact CB-CD1 4.17Å; A23-I43 HydrophobicContact CB-CG1 3.97Å |
| 24 | F | 98.2 | Very high | 96.9 | Very high | 58 Ų | 58 | 24.8 Ų | 24.8 | 25% | 0.254 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -65.5 | -43.8 | 172.6 | -80 | -72.3 | 0 | 0 | 0 | 112.5 | P20 A21 L22 G28 M39 F193 L196 | P20-F24 WeakPolarHBondContact O-CD2 3.3Å; P20-F24 PolarHBondContact O-N 3.2Å; A21-F24 PolarHBondContact O-N 3.16Å; L22-F24 VanDerWaalsContact C-N 3.31Å; L22-F24 PolarHBondContact O-N 2.87Å; F24-G28 PolarHBondContact O-N 3.26Å; F24-M39 HydrophobicContact CE1-CE 4.47Å; F24-F193 HydrophobicContact CD1-CB 4.41Å; F24-F193 HydrophobicContact CD1-CD1 4.3Å; F24-F193 AromaticContact CD1-CD2 3.87Å; F24-F193 HydrophobicContact CD1-CD2 3.87Å; F24-F193 HydrophobicContact CD1-CE2 4.12Å; F24-F193 AromaticContact CD1-CG 3.96Å; F24-F193 HydrophobicContact CD1-CG 3.96Å; F24-F193 HydrophobicContact CD1-CZ 4.44Å; F24-F193 HydrophobicContact CE1-CD2 4.31Å; F24-F193 HydrophobicContact CE1-CE1 4.36Å; F24-F193 HydrophobicContact CE1-CE2 4.09Å; F24-F193 HydrophobicContact CE1-CZ 4.12Å; F24-L196 HydrophobicContact CD1-CD2 3.88Å; F24-L196 HydrophobicContact CD2-CD2 4.3Å; F24-L196 HydrophobicContact CE1-CD2 3.96Å; F24-L196 HydrophobicContact CE2-CD2 4.38Å; F24-L196 HydrophobicContact CG-CD2 4.06Å; F24-L196 HydrophobicContact CZ-CD2 4.22Å |
| 25 | F | 98.4 | Very high | 96.7 | Very high | 9 Ų | 9 | 23.7 Ų | 23.7 | 4% | 0.039 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.9 | -54.5 | 179.5 | -175.8 | -106.3 | 0 | 0 | 0 | 111.3 | A21 L22 G28 L29 V194 T198 L201 C255 V259 | A21-F25 PolarHBondContact O-N 3.1Å; L22-F25 HydrophobicContact CD1-CD1 4.18Å; L22-F25 PolarHBondContact O-N 3.06Å; F25-G28 PolarHBondContact O-N 2.88Å; F25-L29 HydrophobicContact CD1-CD1 3.98Å; F25-L29 HydrophobicContact CE1-CD1 3.56Å; F25-L29 HydrophobicContact CE2-CD1 4.41Å; F25-L29 HydrophobicContact CZ-CD1 3.81Å; F25-L29 WeakPolarHBondContact O-CG 3.35Å; F25-L29 PolarHBondContact O-N 2.85Å; F25-V194 HydrophobicContact CD2-CG1 3.69Å; F25-V194 HydrophobicContact CE2-CG1 3.53Å; F25-T198 WeakPolarHBondContact CD2-OG1 3.22Å; F25-T198 WeakPolarHBondContact CE2-OG1 3.25Å; F25-L201 HydrophobicContact CB-CD1 4.04Å; F25-L201 HydrophobicContact CG-CD1 4.16Å; F25-C255 HydrophobicContact CE2-CB 4.28Å; F25-V259 HydrophobicContact CE2-CG2 4.29Å; F25-V259 HydrophobicContact CZ-CG2 4.16Å |
| 26 | Y | 98.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.9 | -42.3 | 178.2 | -73.3 | -7 | 0 | 0 | 0 | 112.8 | L22 G28 L29 E30 V42 I107 G110 L305 | L22-Y26 HydrophobicContact CD1-CD1 4.05Å; L22-Y26 HydrophobicContact CD1-CD2 4.34Å; L22-Y26 HydrophobicContact CD1-CE1 3.67Å; L22-Y26 HydrophobicContact CD1-CE2 3.98Å; L22-Y26 HydrophobicContact CD1-CG 4.37Å; L22-Y26 HydrophobicContact CD2-CD2 4.37Å; L22-Y26 HydrophobicContact CD2-CE2 3.8Å; L22-Y26 HydrophobicContact CG-CD2 3.99Å; L22-Y26 HydrophobicContact CG-CE1 4.36Å; L22-Y26 HydrophobicContact CG-CE2 3.81Å; L22-Y26 HydrophobicContact CG-CG 4.33Å; L22-Y26 WeakPolarHBondContact O-CB 3.27Å; L22-Y26 PolarHBondContact O-N 2.75Å; Y26-G28 VanDerWaalsContact C-N 3.26Å; Y26-G28 PolarHBondContact O-N 3.34Å; Y26-L29 PolarHBondContact O-N 3.42Å; Y26-E30 WeakPolarHBondContact O-CB 3.18Å; Y26-E30 PolarHBondContact O-N 2.9Å; Y26-V42 HydrophobicContact CD2-CG2 3.94Å; Y26-I107 PolarHBondContact OH-O 2.79Å; Y26-I107 VanDerWaalsContact OH-O 3.08Å; Y26-G110 VanDerWaalsContact CE2-CA 3.44Å; Y26-L305 HydrophobicContact CD1-CB 4.34Å; Y26-L305 HydrophobicContact CD1-CD1 3.86Å; Y26-L305 HydrophobicContact CD2-CD1 4.24Å; Y26-L305 HydrophobicContact CG-CD1 3.62Å |
| 27 | G | 96.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62 | -32.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A23 | A23-G27 WeakPolarHBondContact O-CA 3.38Å; A23-G27 PolarHBondContact O-N 2.79Å |
| 28 | G | 96.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -72 | -36.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F24 F25 Y26 P188 H189 N190 | F24-G28 PolarHBondContact O-N 3.26Å; F25-G28 PolarHBondContact O-N 2.88Å; Y26-G28 VanDerWaalsContact C-N 3.26Å; Y26-G28 PolarHBondContact O-N 3.34Å; G28-P188 CarbonylContact O-C 3.48Å; G28-P188 WeakPolarHBondContact O-CA 3.37Å; G28-P188 WeakPolarHBondContact O-CB 3.36Å; G28-H189 PolarHBondContact O-N 3.32Å; G28-H189 VanDerWaalsContact O-N 3.12Å; G28-N190 WeakPolarHBondContact CA-O 3.3Å; G28-N190 PolarHBondContact O-N 3.18Å; G28-N190 VanDerWaalsContact O-N 3.14Å |
| 29 | L | 95.6 | Very high | 96.4 | Very high | 28 Ų | 28 | 20.8 Ų | 20.8 | 15% | 0.147 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -74.4 | -31.4 | 177.4 | -69.6 | 172.8 | 0 | 0 | 0 | 113 | F25 Y26 P188 V194 V252 L305 | F25-L29 HydrophobicContact CD1-CD1 3.98Å; F25-L29 HydrophobicContact CE1-CD1 3.56Å; F25-L29 HydrophobicContact CE2-CD1 4.41Å; F25-L29 HydrophobicContact CZ-CD1 3.81Å; F25-L29 WeakPolarHBondContact O-CG 3.35Å; F25-L29 PolarHBondContact O-N 2.85Å; Y26-L29 PolarHBondContact O-N 3.42Å; L29-P188 HydrophobicContact CD2-CG 4.4Å; L29-V194 HydrophobicContact CD2-CG1 4.2Å; L29-V194 HydrophobicContact CD2-CG2 3.93Å; L29-V194 HydrophobicContact CG-CG1 4.46Å; L29-V194 HydrophobicContact CG-CG2 3.98Å; L29-V252 HydrophobicContact CD2-CG1 3.69Å; L29-L305 HydrophobicContact CB-CD2 3.85Å |
| 30 | E | 93.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.009 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -79.8 | 164.9 | -177.2 | -174 | 50.1 | -138.6 | 0 | 0 | 112 | Y26 N34 T38 R178 H189 L305 | Y26-E30 WeakPolarHBondContact O-CB 3.18Å; Y26-E30 PolarHBondContact O-N 2.9Å; E30-N34 HydrophobicContact CG-CB 3.68Å; E30-N34 PolarHBondContact OE1-ND2 3.41Å; E30-T38 HydrophobicContact CB-CG2 4.42Å; E30-R178 IonicContact OE2-NH1 2.91Å; E30-R178 PolarHBondContact OE2-NH1 3.24Å; E30-H189 WeakPolarHBondContact O-CB 3.19Å; E30-H189 PolarHBondContact O-N 3.21Å; E30-L305 HydrophobicContact CB-CD2 4.19Å |
| 31 | R | 91.1 | Very high | 96.4 | Very high | 40 Ų | 40 | 22.6 Ų | 22.6 | 15% | 0.151 | 10% | 0.101 | C | C | . | . | trans | -73.1 | 150.8 | 177.1 | -68.2 | 175 | 171.9 | -168 | -5.3 | 111.7 | K33 N34 I35 E180 D185 Y186 | R31-K33 PolarHBondContact O-N 3.03Å; R31-N34 PolarHBondContact O-N 3.44Å; R31-I35 PolarHBondContact O-N 3.46Å; R31-E180 IonicContact CZ-OE2 3.3Å; R31-E180 VanDerWaalsContact NH1-CD 3.33Å; R31-E180 IonicContact NH1-OE1 3.15Å; R31-E180 IonicContact NH1-OE2 2.62Å; R31-E180 PolarHBondContact NH1-OE2 2.95Å; R31-E180 IonicContact NH2-OE2 3.03Å; R31-E180 PolarHBondContact NH2-OE2 3.44Å; R31-D185 PolarHBondContact NH2-O 3.15Å; R31-Y186 HydrophobicContact CG-CD1 4.32Å; R31-Y186 VanDerWaalsContact CZ-CE1 3.49Å | ||
| 32 | R | 91.4 | Very high | 96.4 | Very high | 119 Ų | 119 | 22.6 Ų | 22.6 | 45% | 0.449 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -30.6 | -177 | -173.8 | 170.1 | 176.6 | -133.8 | -27 | 116.2 | N34 I35 H189 Q395 | R32-N34 VanDerWaalsContact C-N 3.3Å; R32-I35 WeakPolarHBondContact O-CG2 3.22Å; R32-H189 HydrophobicContact CB-CB 4.41Å; R32-Q395 VanDerWaalsContact CG-OE1 3.28Å |
| 33 | K | 92.8 | Very high | 96.4 | Very high | 56 Ų | 56 | 25.9 Ų | 25.9 | 24% | 0.243 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -6.2 | -177.8 | 71.4 | -179.5 | -169.8 | 175.8 | 0 | 114.4 | R31 E382 A383 G385 L386 D387 | R31-K33 PolarHBondContact O-N 3.03Å; K33-E382 VanDerWaalsContact CE-O 3.3Å; K33-E382 WeakPolarHBondContact CE-O 3.34Å; K33-E382 PolarHBondContact NZ-O 3.4Å; K33-A383 PolarHBondContact NZ-O 3.43Å; K33-G385 CarbonylContact O-C 3.37Å; K33-G385 WeakPolarHBondContact O-CA 3.44Å; K33-L386 PolarHBondContact O-N 3.43Å; K33-D387 WeakPolarHBondContact O-CB 3.48Å; K33-D387 PolarHBondContact O-N 2.76Å; K33-D387 VanDerWaalsContact O-N 3.17Å |
| 34 | N | 94.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -128.1 | 7.2 | -174.5 | -62.2 | -32.8 | 0 | 0 | 0 | 112.1 | E30 R31 R32 T38 G114 G385 L386 D387 | E30-N34 HydrophobicContact CG-CB 3.68Å; E30-N34 PolarHBondContact OE1-ND2 3.41Å; R31-N34 PolarHBondContact O-N 3.44Å; R32-N34 VanDerWaalsContact C-N 3.3Å; N34-T38 VanDerWaalsContact O-CB 3.26Å; N34-T38 WeakPolarHBondContact O-CB 3.42Å; N34-T38 PolarHBondContact O-N 2.98Å; N34-T38 PolarHBondContact O-OG1 2.83Å; N34-G114 WeakPolarHBondContact ND2-CA 3.3Å; N34-G385 WeakPolarHBondContact OD1-CA 3.38Å; N34-L386 PolarHBondContact OD1-N 3.41Å; N34-D387 WeakPolarHBondContact CA-OD1 3.43Å; N34-D387 PolarHBondContact N-OD2 2.84Å |
| 35 | I | 95 | Very high | 96.4 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66 | -47.6 | -172.5 | -178.1 | 171.9 | 0 | 0 | 0 | 110.9 | R31 R32 T38 M39 F193 D387 Q395 | R31-I35 PolarHBondContact O-N 3.46Å; R32-I35 WeakPolarHBondContact O-CG2 3.22Å; I35-T38 PolarHBondContact O-N 2.72Å; I35-M39 HydrophobicContact CD1-SD 4.32Å; I35-M39 HydrophobicContact CG1-CG 4.36Å; I35-M39 HydrophobicContact CG1-SD 3.88Å; I35-M39 VanDerWaalsContact O-CG 3.28Å; I35-M39 WeakPolarHBondContact O-CG 3.17Å; I35-M39 PolarHBondContact O-N 3Å; I35-F193 HydrophobicContact CD1-CD2 4.21Å; I35-F193 HydrophobicContact CD1-CE2 4.23Å; I35-D387 WeakPolarHBondContact CG2-OD2 3.5Å; I35-D387 PolarHBondContact N-OD1 3.36Å; I35-D387 VanDerWaalsContact N-OD1 3.17Å; I35-D387 PolarHBondContact N-OD2 2.96Å; I35-D387 VanDerWaalsContact N-OD2 3.11Å; I35-Q395 HydrophobicContact CG2-CG 4.36Å |
| 36 | L | 96.3 | Very high | 96.4 | Very high | 46 Ų | 46 | 25.2 Ų | 25.2 | 24% | 0.241 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.2 | -42.5 | -176.6 | -60.1 | 174.7 | 0 | 0 | 0 | 110.8 | T38 M39 M40 D387 E393 | L36-T38 VanDerWaalsContact C-N 3.33Å; L36-T38 PolarHBondContact O-N 3.48Å; L36-M39 PolarHBondContact O-N 3.43Å; L36-M40 VanDerWaalsContact O-CB 3.25Å; L36-M40 WeakPolarHBondContact O-CB 3.24Å; L36-M40 PolarHBondContact O-N 3.27Å; L36-D387 HydrophobicContact CB-CB 4.2Å; L36-D387 HydrophobicContact CD1-CB 4.37Å; L36-D387 VanDerWaalsContact N-CG 3.33Å; L36-D387 PolarHBondContact N-OD1 2.87Å; L36-D387 PolarHBondContact N-OD2 3.45Å; L36-E393 HydrophobicContact CD1-CB 3.63Å |
| 37 | N | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 174.4 | 179.3 | 75.5 | 0 | 0 | 0 | 111.7 | M40 M41 L386 D387 H391 | N37-M40 PolarHBondContact O-N 2.91Å; N37-M41 WeakPolarHBondContact O-CG 3.37Å; N37-M41 PolarHBondContact O-N 2.91Å; N37-L386 HydrophobicContact CB-CB 3.72Å; N37-L386 WeakPolarHBondContact ND2-CD2 3.36Å; N37-D387 PolarHBondContact N-OD1 3.32Å; N37-H391 PolarHBondContact OD1-NE2 3.38Å |
| 38 | T | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 178 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | E30 N34 I35 L36 V42 A113 L305 | E30-T38 HydrophobicContact CB-CG2 4.42Å; N34-T38 VanDerWaalsContact O-CB 3.26Å; N34-T38 WeakPolarHBondContact O-CB 3.42Å; N34-T38 PolarHBondContact O-N 2.98Å; N34-T38 PolarHBondContact O-OG1 2.83Å; I35-T38 PolarHBondContact O-N 2.72Å; L36-T38 VanDerWaalsContact C-N 3.33Å; L36-T38 PolarHBondContact O-N 3.48Å; T38-V42 PolarHBondContact O-N 3.43Å; T38-A113 HydrophobicContact CG2-CB 4.38Å; T38-L305 HydrophobicContact CG2-CD1 4.13Å |
| 39 | M | 97.9 | Very high | 96.6 | Very high | 32 Ų | 32 | 28.2 Ų | 28.2 | 16% | 0.158 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.4 | -38.5 | 174.2 | -68.1 | 178.6 | 74.7 | 0 | 0 | 111.9 | A23 F24 I35 L36 V42 I43 | A23-M39 HydrophobicContact CB-CB 4.25Å; A23-M39 HydrophobicContact CB-CE 4.39Å; A23-M39 HydrophobicContact CB-CG 4.19Å; A23-M39 WeakPolarHBondContact O-CG 3.31Å; F24-M39 HydrophobicContact CE1-CE 4.47Å; I35-M39 HydrophobicContact CD1-SD 4.32Å; I35-M39 HydrophobicContact CG1-CG 4.36Å; I35-M39 HydrophobicContact CG1-SD 3.88Å; I35-M39 VanDerWaalsContact O-CG 3.28Å; I35-M39 WeakPolarHBondContact O-CG 3.17Å; I35-M39 PolarHBondContact O-N 3Å; L36-M39 PolarHBondContact O-N 3.43Å; M39-V42 PolarHBondContact O-N 3.07Å; M39-I43 HydrophobicContact CB-CD1 4.47Å; M39-I43 WeakPolarHBondContact O-CB 3.49Å; M39-I43 WeakPolarHBondContact O-CG1 3.35Å; M39-I43 PolarHBondContact O-N 3.22Å |
| 40 | M | 98.3 | Very high | 96.8 | Very high | 70 Ų | 70 | 28.1 Ų | 28.1 | 35% | 0.345 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -65.7 | -41.9 | 178.5 | -175.5 | 62.4 | 78.2 | 0 | 0 | 111.9 | L36 N37 V42 I43 C44 F118 | L36-M40 VanDerWaalsContact O-CB 3.25Å; L36-M40 WeakPolarHBondContact O-CB 3.24Å; L36-M40 PolarHBondContact O-N 3.27Å; N37-M40 PolarHBondContact O-N 2.91Å; M40-V42 PolarHBondContact O-N 3.32Å; M40-I43 PolarHBondContact O-N 2.62Å; M40-C44 VanDerWaalsContact O-CB 3.22Å; M40-C44 WeakPolarHBondContact O-CB 3.46Å; M40-C44 PolarHBondContact O-N 2.87Å; M40-C44 PolarHBondContact O-SG 3.5Å; M40-F118 HydrophobicContact CB-CE2 4.3Å; M40-F118 HydrophobicContact CG-CD2 4.19Å; M40-F118 HydrophobicContact CG-CE2 3.51Å; M40-F118 HydrophobicContact CG-CZ 3.74Å |
| 41 | M | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.2 | -34 | 174.2 | -71.5 | -169.9 | -60.1 | 0 | 0 | 112.3 | N37 C44 T45 T109 V112 A113 F118 I121 | N37-M41 WeakPolarHBondContact O-CG 3.37Å; N37-M41 PolarHBondContact O-N 2.91Å; M41-C44 PolarHBondContact O-SG 2.97Å; M41-C44 VanDerWaalsContact O-SG 3.39Å; M41-T45 WeakPolarHBondContact O-CG2 3.34Å; M41-T109 HydrophobicContact CB-CG2 4.03Å; M41-V112 HydrophobicContact CE-CG2 4.44Å; M41-V112 HydrophobicContact SD-CG2 4.15Å; M41-A113 HydrophobicContact CE-CB 4.43Å; M41-F118 HydrophobicContact CG-CD2 4.01Å; M41-F118 HydrophobicContact CG-CE2 4.39Å; M41-I121 HydrophobicContact CG-CG2 3.92Å; M41-I121 HydrophobicContact SD-CG1 4.4Å; M41-I121 HydrophobicContact SD-CG2 3.86Å |
| 42 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -78.8 | -52.4 | 176.3 | 169.7 | 0 | 0 | 0 | 0 | 111.6 | T19 L22 A23 Y26 T38 M39 M40 C44 T45 A106 T109 | T19-V42 HydrophobicContact CG2-CG1 3.91Å; T19-V42 WeakPolarHBondContact O-CG1 3.36Å; L22-V42 HydrophobicContact CB-CG1 4.34Å; A23-V42 HydrophobicContact CB-CB 4.02Å; A23-V42 HydrophobicContact CB-CG1 3.73Å; Y26-V42 HydrophobicContact CD2-CG2 3.94Å; T38-V42 PolarHBondContact O-N 3.43Å; M39-V42 PolarHBondContact O-N 3.07Å; M40-V42 PolarHBondContact O-N 3.32Å; V42-C44 VanDerWaalsContact C-N 3.31Å; V42-C44 PolarHBondContact O-N 3.4Å; V42-T45 PolarHBondContact O-N 3Å; V42-T45 PolarHBondContact O-OG1 3.01Å; V42-A106 HydrophobicContact CB-CB 4.39Å; V42-A106 HydrophobicContact CG1-CB 3.85Å; V42-A106 HydrophobicContact CG2-CB 4.4Å; V42-T109 WeakPolarHBondContact CG2-OG1 3.41Å |
| 43 | I | 98.1 | Very high | 97.7 | Very high | 72 Ų | 72 | 27.6 Ų | 27.6 | 37% | 0.369 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -68.2 | -31.4 | -172.9 | -68.1 | 170.1 | 0 | 0 | 0 | 111.5 | A23 M39 M40 T45 M46 | A23-I43 HydrophobicContact CB-CD1 4.17Å; A23-I43 HydrophobicContact CB-CG1 3.97Å; M39-I43 HydrophobicContact CB-CD1 4.47Å; M39-I43 WeakPolarHBondContact O-CB 3.49Å; M39-I43 WeakPolarHBondContact O-CG1 3.35Å; M39-I43 PolarHBondContact O-N 3.22Å; M40-I43 PolarHBondContact O-N 2.62Å; I43-T45 PolarHBondContact O-N 3.19Å; I43-M46 HydrophobicContact CB-SD 4.37Å; I43-M46 HydrophobicContact CG1-SD 4.44Å; I43-M46 HydrophobicContact CG2-SD 4.02Å; I43-M46 VanDerWaalsContact O-CB 3.25Å; I43-M46 WeakPolarHBondContact O-CB 3.08Å; I43-M46 WeakPolarHBondContact O-CG 3.33Å; I43-M46 PolarHBondContact O-N 3.33Å |
| 44 | C | 98.3 | Very high | 98 | Very high | 20 Ų | 20 | 28.3 Ų | 28.3 | 14% | 0.135 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64 | -24.5 | 179.1 | 77.4 | 0 | 0 | 0 | 0 | 112.8 | M40 M41 V42 M46 G47 L48 F118 F122 | M40-C44 VanDerWaalsContact O-CB 3.22Å; M40-C44 WeakPolarHBondContact O-CB 3.46Å; M40-C44 PolarHBondContact O-N 2.87Å; M40-C44 PolarHBondContact O-SG 3.5Å; M41-C44 PolarHBondContact O-SG 2.97Å; M41-C44 VanDerWaalsContact O-SG 3.39Å; V42-C44 VanDerWaalsContact C-N 3.31Å; V42-C44 PolarHBondContact O-N 3.4Å; C44-M46 PolarHBondContact O-N 3.48Å; C44-G47 PolarHBondContact O-N 2.94Å; C44-L48 WeakPolarHBondContact O-CB 3.31Å; C44-L48 PolarHBondContact O-N 3.42Å; C44-F118 HydrophobicContact CB-CE2 4.37Å; C44-F118 HydrophobicContact CB-CZ 4.01Å; C44-F122 HydrophobicContact CB-CD2 4.45Å; C44-F122 HydrophobicContact CB-CE2 4.47Å |
| 45 | T | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.9 | -28 | 175.7 | 76.2 | 0 | 0 | 0 | 0 | 111.9 | M41 V42 I43 G47 L48 A49 L102 T105 A106 I125 | M41-T45 WeakPolarHBondContact O-CG2 3.34Å; V42-T45 PolarHBondContact O-N 3Å; V42-T45 PolarHBondContact O-OG1 3.01Å; I43-T45 PolarHBondContact O-N 3.19Å; T45-G47 VanDerWaalsContact C-N 3.3Å; T45-G47 PolarHBondContact O-N 3.3Å; T45-L48 PolarHBondContact O-N 3.33Å; T45-A49 WeakPolarHBondContact O-CB 3.32Å; T45-A49 PolarHBondContact O-N 3.42Å; T45-L102 PolarHBondContact OG1-O 3.43Å; T45-L102 VanDerWaalsContact OG1-O 3.05Å; T45-T105 WeakPolarHBondContact CB-OG1 3.36Å; T45-A106 HydrophobicContact CG2-CB 4.35Å; T45-I125 HydrophobicContact CG2-CD1 3.94Å |
| 46 | M | 98.6 | Very high | 98.4 | Very high | 34 Ų | 34 | 33.5 Ų | 33.5 | 17% | 0.167 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.3 | -40.8 | 177.1 | -58 | 168.8 | 64.9 | 0 | 0 | 111.6 | F16 T19 P20 I43 C44 S50 L102 | F16-M46 HydrophobicContact CD2-CE 4.27Å; F16-M46 HydrophobicContact CE1-CE 3.85Å; F16-M46 HydrophobicContact CE2-CE 3.32Å; F16-M46 HydrophobicContact CZ-CE 3.07Å; T19-M46 HydrophobicContact CG2-CG 3.48Å; T19-M46 VanDerWaalsContact CG2-CG 3.48Å; T19-M46 HydrophobicContact CG2-SD 4.05Å; P20-M46 HydrophobicContact CG-CE 4.45Å; I43-M46 HydrophobicContact CB-SD 4.37Å; I43-M46 HydrophobicContact CG1-SD 4.44Å; I43-M46 HydrophobicContact CG2-SD 4.02Å; I43-M46 VanDerWaalsContact O-CB 3.25Å; I43-M46 WeakPolarHBondContact O-CB 3.08Å; I43-M46 WeakPolarHBondContact O-CG 3.33Å; I43-M46 PolarHBondContact O-N 3.33Å; C44-M46 PolarHBondContact O-N 3.48Å; M46-S50 VanDerWaalsContact O-CB 3.23Å; M46-S50 WeakPolarHBondContact O-CB 3.42Å; M46-S50 PolarHBondContact O-OG 3.42Å; M46-L102 HydrophobicContact CB-CD2 4.16Å; M46-L102 HydrophobicContact CG-CD2 4.29Å |
| 47 | G | 98.5 | Very high | 98.5 | Very high | 42 Ų | 42 | 31.3 Ų | 31.3 | 43% | 0.433 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -79.3 | -49.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C44 T45 L51 | C44-G47 PolarHBondContact O-N 2.94Å; T45-G47 VanDerWaalsContact C-N 3.3Å; T45-G47 PolarHBondContact O-N 3.3Å; G47-L51 WeakPolarHBondContact O-CG 3.09Å; G47-L51 PolarHBondContact O-N 2.86Å; G47-L51 VanDerWaalsContact O-N 3.11Å |
| 48 | L | 98.7 | Very high | 98.5 | Very high | 22 Ų | 22 | 31.6 Ų | 31.6 | 12% | 0.115 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.7 | -52.7 | -173 | 179.6 | 60.6 | 0 | 0 | 0 | 112.5 | C44 T45 L51 I52 F122 I125 A126 | C44-L48 WeakPolarHBondContact O-CB 3.31Å; C44-L48 PolarHBondContact O-N 3.42Å; T45-L48 PolarHBondContact O-N 3.33Å; L48-L51 PolarHBondContact O-N 3.18Å; L48-I52 HydrophobicContact CD1-CD1 3.67Å; L48-I52 HydrophobicContact CD1-CG1 4.27Å; L48-I52 HydrophobicContact CG-CD1 4.03Å; L48-I52 WeakPolarHBondContact O-CG1 3.48Å; L48-I52 PolarHBondContact O-N 2.78Å; L48-F122 HydrophobicContact CB-CE2 4.24Å; L48-F122 HydrophobicContact CB-CZ 4.35Å; L48-F122 HydrophobicContact CD1-CE1 4.03Å; L48-F122 HydrophobicContact CD1-CE2 4.43Å; L48-F122 HydrophobicContact CD1-CZ 3.77Å; L48-F122 HydrophobicContact CD2-CD1 4.34Å; L48-F122 HydrophobicContact CD2-CD2 4.09Å; L48-F122 HydrophobicContact CD2-CE1 4.18Å; L48-F122 HydrophobicContact CD2-CE2 3.92Å; L48-F122 HydrophobicContact CD2-CG 4.31Å; L48-F122 HydrophobicContact CD2-CZ 3.97Å; L48-F122 HydrophobicContact CG-CE2 4.43Å; L48-F122 HydrophobicContact CG-CZ 4.25Å; L48-I125 HydrophobicContact CD2-CB 4.17Å; L48-I125 HydrophobicContact CD2-CG2 3.78Å; L48-A126 HydrophobicContact CD1-CB 4.24Å; L48-A126 HydrophobicContact CD2-CB 4.2Å |
| 49 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.9 | -38.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T45 L51 I52 W53 L102 L129 | T45-A49 WeakPolarHBondContact O-CB 3.32Å; T45-A49 PolarHBondContact O-N 3.42Å; A49-L51 PolarHBondContact O-N 2.76Å; A49-I52 PolarHBondContact O-N 3.49Å; A49-W53 WeakPolarHBondContact O-CB 3.41Å; A49-W53 PolarHBondContact O-N 3.33Å; A49-L102 HydrophobicContact CB-CD1 3.76Å; A49-L102 HydrophobicContact CB-CG 4.16Å; A49-L129 HydrophobicContact CB-CD1 3.84Å; A49-L129 HydrophobicContact CB-CD2 4.3Å |
| 50 | S | 98.7 | Very high | 98.6 | Very high | 26 Ų | 26 | 30.7 Ų | 30.7 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.8 | -46.3 | 175.6 | -61.9 | 0 | 0 | 0 | 0 | 111.8 | M46 W53 I54 | M46-S50 VanDerWaalsContact O-CB 3.23Å; M46-S50 WeakPolarHBondContact O-CB 3.42Å; M46-S50 PolarHBondContact O-OG 3.42Å; S50-W53 WeakPolarHBondContact O-CB 3.34Å; S50-W53 PolarHBondContact O-N 2.92Å; S50-I54 WeakPolarHBondContact O-CG1 3.12Å; S50-I54 PolarHBondContact O-N 2.99Å; S50-I54 VanDerWaalsContact O-N 3.14Å |
| 51 | L | 98.6 | Very high | 98.7 | Very high | 123 Ų | 123 | 27.3 Ų | 27.3 | 64% | 0.644 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -65.6 | -47.3 | 179.5 | -71.7 | 175.7 | 0 | 0 | 0 | 111.9 | G47 L48 A49 W53 I54 V55 | G47-L51 WeakPolarHBondContact O-CG 3.09Å; G47-L51 PolarHBondContact O-N 2.86Å; G47-L51 VanDerWaalsContact O-N 3.11Å; L48-L51 PolarHBondContact O-N 3.18Å; A49-L51 PolarHBondContact O-N 2.76Å; L51-W53 VanDerWaalsContact C-N 3.26Å; L51-W53 PolarHBondContact O-N 2.69Å; L51-I54 PolarHBondContact O-N 3.34Å; L51-V55 VanDerWaalsContact O-CG2 3.28Å; L51-V55 WeakPolarHBondContact O-CG2 3.45Å; L51-V55 PolarHBondContact O-N 3.18Å |
| 52 | I | 98.8 | Very high | 98.7 | Very high | 27 Ų | 27 | 28.4 Ų | 28.4 | 14% | 0.138 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.1 | -36.4 | 178.8 | -65.2 | 174.7 | 0 | 0 | 0 | 110.7 | L48 A49 V55 I56 G57 A126 L129 I130 F134 | L48-I52 HydrophobicContact CD1-CD1 3.67Å; L48-I52 HydrophobicContact CD1-CG1 4.27Å; L48-I52 HydrophobicContact CG-CD1 4.03Å; L48-I52 WeakPolarHBondContact O-CG1 3.48Å; L48-I52 PolarHBondContact O-N 2.78Å; A49-I52 PolarHBondContact O-N 3.49Å; I52-V55 PolarHBondContact O-N 2.82Å; I52-I56 HydrophobicContact CG2-CG2 4.15Å; I52-I56 PolarHBondContact O-N 2.75Å; I52-G57 PolarHBondContact O-N 2.96Å; I52-A126 HydrophobicContact CD1-CB 3.94Å; I52-L129 HydrophobicContact CB-CD1 4.43Å; I52-L129 HydrophobicContact CD1-CD1 3.91Å; I52-L129 HydrophobicContact CG2-CB 4.46Å; I52-I130 HydrophobicContact CG2-CG1 4.16Å; I52-F134 HydrophobicContact CG2-CE2 3.61Å; I52-F134 HydrophobicContact CG2-CZ 3.68Å |
| 53 | W | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -59.2 | -50.6 | 176 | -173.8 | -99.1 | 0 | 0 | 0 | 112.6 | A49 S50 L51 V55 G57 Y58 F62 F77 A94 Q97 M98 A101 Y133 F134 | A49-W53 WeakPolarHBondContact O-CB 3.41Å; A49-W53 PolarHBondContact O-N 3.33Å; S50-W53 WeakPolarHBondContact O-CB 3.34Å; S50-W53 PolarHBondContact O-N 2.92Å; L51-W53 VanDerWaalsContact C-N 3.26Å; L51-W53 PolarHBondContact O-N 2.69Å; W53-V55 VanDerWaalsContact C-N 3.33Å; W53-G57 PolarHBondContact O-N 3.19Å; W53-G57 VanDerWaalsContact O-N 3.12Å; W53-Y58 AromaticContact CZ2-CD2 3.74Å; W53-Y58 HydrophobicContact CZ2-CD2 3.74Å; W53-Y58 HydrophobicContact CZ2-CG 4.48Å; W53-Y58 PolarHBondContact O-N 3.4Å; W53-Y58 VanDerWaalsContact O-N 3.08Å; W53-F62 HydrophobicContact CH2-CD2 4.18Å; W53-F62 AromaticContact CH2-CE2 3.84Å; W53-F62 HydrophobicContact CH2-CE2 3.84Å; W53-F62 HydrophobicContact CZ2-CD2 4.34Å; W53-F62 HydrophobicContact CZ2-CE2 4.21Å; W53-F77 AromaticContact CD1-CE2 3.78Å; W53-F77 AromaticContact CD1-CZ 3.81Å; W53-F77 AromaticContact NE1-CZ 3.81Å; W53-A94 PolarHBondContact NE1-O 3.37Å; W53-Q97 HydrophobicContact CH2-CB 3.97Å; W53-Q97 HydrophobicContact CZ2-CB 3.66Å; W53-M98 HydrophobicContact CB-CG 3.72Å; W53-M98 HydrophobicContact CB-SD 3.83Å; W53-M98 VanDerWaalsContact CD1-CB 3.49Å; W53-M98 VanDerWaalsContact CD1-CG 3.48Å; W53-M98 HydrophobicContact CD2-CB 4.03Å; W53-M98 HydrophobicContact CD2-CG 4.14Å; W53-M98 HydrophobicContact CG-CB 3.79Å; W53-M98 HydrophobicContact CG-CG 3.5Å; W53-M98 VanDerWaalsContact CG-CG 3.5Å; W53-M98 HydrophobicContact CG-SD 3.82Å; W53-A101 HydrophobicContact CE3-CB 4.23Å; W53-A101 HydrophobicContact CZ3-CB 4.42Å; W53-Y133 HydrophobicContact CZ3-CE1 4.09Å; W53-F134 HydrophobicContact CE3-CD1 4.05Å; W53-F134 AromaticContact CE3-CE1 3.55Å; W53-F134 HydrophobicContact CE3-CE1 3.55Å; W53-F134 HydrophobicContact CE3-CZ 4.38Å; W53-F134 AromaticContact CZ3-CD1 3.83Å; W53-F134 HydrophobicContact CZ3-CD1 3.83Å; W53-F134 AromaticContact CZ3-CE1 3.79Å; W53-F134 HydrophobicContact CZ3-CE1 3.79Å |
| 54 | I | 98.6 | Very high | 98.6 | Very high | 70 Ų | 70 | 26.9 Ų | 26.9 | 36% | 0.359 | 16% | 0.163 | S | C | . | . | I | π-helix | trans | -62.4 | -42.7 | 177.3 | -62.4 | -56.2 | 0 | 0 | 0 | 111 | S50 L51 L76 F77 M98 | S50-I54 WeakPolarHBondContact O-CG1 3.12Å; S50-I54 PolarHBondContact O-N 2.99Å; S50-I54 VanDerWaalsContact O-N 3.14Å; L51-I54 PolarHBondContact O-N 3.34Å; I54-L76 CarbonylContact O-C 3.6Å; I54-L76 VanDerWaalsContact O-CA 3.24Å; I54-L76 WeakPolarHBondContact O-CA 3.4Å; I54-L76 PolarHBondContact O-N 3.17Å; I54-F77 HydrophobicContact CB-CD2 4.4Å; I54-F77 HydrophobicContact CB-CE2 4.45Å; I54-F77 HydrophobicContact CD1-CD1 4.38Å; I54-F77 HydrophobicContact CD1-CD2 3.83Å; I54-F77 HydrophobicContact CD1-CE1 3.99Å; I54-F77 HydrophobicContact CD1-CE2 3.41Å; I54-F77 VanDerWaalsContact CD1-CE2 3.41Å; I54-F77 HydrophobicContact CD1-CG 4.3Å; I54-F77 HydrophobicContact CD1-CZ 3.48Å; I54-F77 VanDerWaalsContact CD1-CZ 3.48Å; I54-F77 HydrophobicContact CG1-CE2 4.42Å; I54-F77 HydrophobicContact CG2-CD2 4.26Å; I54-F77 PolarHBondContact O-N 3.47Å; I54-M98 HydrophobicContact CD1-SD 4.3Å; I54-M98 HydrophobicContact CG1-SD 4.49Å |
| 55 | V | 98.7 | Very high | 98.5 | Very high | 74 Ų | 74 | 33.3 Ų | 33.3 | 45% | 0.448 | 20% | 0.196 | S | C | . | . | I | π-helix | trans | -66.3 | -47 | -177.2 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | L51 I52 W53 V75 L76 | L51-V55 VanDerWaalsContact O-CG2 3.28Å; L51-V55 WeakPolarHBondContact O-CG2 3.45Å; L51-V55 PolarHBondContact O-N 3.18Å; I52-V55 PolarHBondContact O-N 2.82Å; W53-V55 VanDerWaalsContact C-N 3.33Å; V55-V75 WeakPolarHBondContact O-CG1 3.26Å; V55-L76 HydrophobicContact CG2-CD2 4.33Å; V55-L76 PolarHBondContact O-N 2.87Å |
| 56 | I | 98.8 | Very high | 98.5 | Very high | 44 Ų | 44 | 34.7 Ų | 34.7 | 23% | 0.226 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -151.7 | -26.1 | -170.6 | -168.3 | 162.8 | 0 | 0 | 0 | 114.4 | I52 Y58 S59 L60 L72 V75 | I52-I56 HydrophobicContact CG2-CG2 4.15Å; I52-I56 PolarHBondContact O-N 2.75Å; I56-Y58 PolarHBondContact O-N 3.49Å; I56-S59 WeakPolarHBondContact O-CB 3.32Å; I56-S59 PolarHBondContact O-N 2.89Å; I56-S59 VanDerWaalsContact O-N 3.15Å; I56-L60 HydrophobicContact CD1-CD1 3.99Å; I56-L60 HydrophobicContact CD1-CG 4.37Å; I56-L60 HydrophobicContact CG1-CD1 3.68Å; I56-L60 HydrophobicContact CG1-CD2 4.41Å; I56-L60 HydrophobicContact CG1-CG 3.77Å; I56-L60 PolarHBondContact O-N 3.49Å; I56-L60 VanDerWaalsContact O-N 3.09Å; I56-L72 HydrophobicContact CD1-CD2 3.82Å; I56-L72 HydrophobicContact CG1-CD2 4.16Å; I56-V75 HydrophobicContact CG1-CG2 4.11Å |
| 57 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -63.1 | -39.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | I52 W53 S59 L60 S61 F134 | I52-G57 PolarHBondContact O-N 2.96Å; W53-G57 PolarHBondContact O-N 3.19Å; W53-G57 VanDerWaalsContact O-N 3.12Å; G57-S59 VanDerWaalsContact C-N 3.33Å; G57-S59 PolarHBondContact O-N 3.04Å; G57-L60 PolarHBondContact O-N 3.44Å; G57-S61 WeakPolarHBondContact O-CB 3.43Å; G57-S61 PolarHBondContact O-N 2.83Å; G57-S61 VanDerWaalsContact O-N 3.13Å; G57-S61 PolarHBondContact O-OG 3.14Å; G57-F134 VanDerWaalsContact CA-CZ 3.42Å |
| 58 | Y | 98.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 175.4 | -178.4 | -113.8 | 0 | 0 | 0 | 111.8 | W53 I56 S61 F62 K74 F77 V80 E90 F93 A94 | W53-Y58 AromaticContact CZ2-CD2 3.74Å; W53-Y58 HydrophobicContact CZ2-CD2 3.74Å; W53-Y58 HydrophobicContact CZ2-CG 4.48Å; W53-Y58 PolarHBondContact O-N 3.4Å; W53-Y58 VanDerWaalsContact O-N 3.08Å; I56-Y58 PolarHBondContact O-N 3.49Å; Y58-S61 PolarHBondContact O-N 3.27Å; Y58-F62 HydrophobicContact CD2-CB 4.25Å; Y58-F62 AromaticContact CD2-CD2 3.8Å; Y58-F62 HydrophobicContact CD2-CD2 3.8Å; Y58-F62 HydrophobicContact CD2-CG 4.48Å; Y58-F62 HydrophobicContact CE2-CB 3.7Å; Y58-F62 AromaticContact CE2-CD2 3.68Å; Y58-F62 HydrophobicContact CE2-CD2 3.68Å; Y58-F62 HydrophobicContact CE2-CG 4.02Å; Y58-F62 PolarHBondContact O-N 3.38Å; Y58-K74 HydrophobicContact CD1-CB 4.24Å; Y58-K74 HydrophobicContact CD1-CD 4.1Å; Y58-K74 HydrophobicContact CE1-CD 3.57Å; Y58-F77 HydrophobicContact CD1-CE2 4.46Å; Y58-F77 HydrophobicContact CG-CE2 4.17Å; Y58-F77 HydrophobicContact CG-CZ 4.35Å; Y58-V80 HydrophobicContact CD1-CG2 3.72Å; Y58-V80 HydrophobicContact CE1-CG1 4.31Å; Y58-V80 HydrophobicContact CE1-CG2 3.58Å; Y58-E90 HydrophobicContact CE1-CG 4.49Å; Y58-E90 WeakPolarHBondContact OH-CG 3.44Å; Y58-E90 PolarHBondContact OH-OE1 3.45Å; Y58-F93 HydrophobicContact CE2-CD1 4.1Å; Y58-F93 HydrophobicContact CE2-CE1 4.25Å; Y58-A94 HydrophobicContact CD1-CB 4.27Å; Y58-A94 HydrophobicContact CD2-CB 3.46Å; Y58-A94 VanDerWaalsContact CD2-CB 3.46Å; Y58-A94 HydrophobicContact CE1-CB 4.16Å; Y58-A94 HydrophobicContact CE2-CB 3.37Å; Y58-A94 HydrophobicContact CG-CB 3.94Å |
| 59 | S | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.4 | -47.8 | 179.8 | -162 | 0 | 0 | 0 | 0 | 111.9 | I56 G57 S61 S63 N71 L72 D73 K74 V75 | I56-S59 WeakPolarHBondContact O-CB 3.32Å; I56-S59 PolarHBondContact O-N 2.89Å; I56-S59 VanDerWaalsContact O-N 3.15Å; G57-S59 VanDerWaalsContact C-N 3.33Å; G57-S59 PolarHBondContact O-N 3.04Å; S59-S61 PolarHBondContact O-N 3.4Å; S59-S63 WeakPolarHBondContact O-CB 3.46Å; S59-S63 PolarHBondContact O-N 2.8Å; S59-N71 CarbonylContact C-O 3.6Å; S59-N71 VanDerWaalsContact C-O 3.29Å; S59-N71 WeakPolarHBondContact CB-O 3.5Å; S59-N71 PolarHBondContact OG-O 3.37Å; S59-L72 VanDerWaalsContact OG-C 3.26Å; S59-L72 WeakPolarHBondContact OG-CA 3.17Å; S59-D73 PolarHBondContact OG-N 3.36Å; S59-K74 PolarHBondContact OG-N 2.93Å; S59-V75 PolarHBondContact OG-N 3.17Å |
| 60 | L | 98.8 | Very high | 98.5 | Very high | 13 Ų | 13 | 42.9 Ų | 42.9 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68 | -18.3 | 179.6 | -64.7 | 179.3 | 0 | 0 | 0 | 113.4 | I56 G57 I69 G70 L72 I130 F134 | I56-L60 HydrophobicContact CD1-CD1 3.99Å; I56-L60 HydrophobicContact CD1-CG 4.37Å; I56-L60 HydrophobicContact CG1-CD1 3.68Å; I56-L60 HydrophobicContact CG1-CD2 4.41Å; I56-L60 HydrophobicContact CG1-CG 3.77Å; I56-L60 PolarHBondContact O-N 3.49Å; I56-L60 VanDerWaalsContact O-N 3.09Å; G57-L60 PolarHBondContact O-N 3.44Å; L60-I69 HydrophobicContact CB-CD1 4.42Å; L60-I69 HydrophobicContact CB-CG1 4.16Å; L60-I69 HydrophobicContact CD1-CD1 4.29Å; L60-I69 HydrophobicContact CD2-CD1 3.88Å; L60-I69 HydrophobicContact CD2-CG1 4.03Å; L60-I69 HydrophobicContact CG-CD1 4.41Å; L60-G70 WeakPolarHBondContact O-CA 3.24Å; L60-G70 PolarHBondContact O-N 3.34Å; L60-L72 HydrophobicContact CD2-CD2 3.86Å; L60-I130 HydrophobicContact CD1-CG2 4.27Å; L60-F134 HydrophobicContact CB-CB 3.77Å; L60-F134 HydrophobicContact CB-CD2 4.35Å; L60-F134 HydrophobicContact CB-CG 4.37Å; L60-F134 HydrophobicContact CD1-CD2 4.04Å |
| 61 | S | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -94.2 | -44.1 | 179.7 | -52.2 | 0 | 0 | 0 | 0 | 112.3 | G57 Y58 S59 F134 H138 | G57-S61 WeakPolarHBondContact O-CB 3.43Å; G57-S61 PolarHBondContact O-N 2.83Å; G57-S61 VanDerWaalsContact O-N 3.13Å; G57-S61 PolarHBondContact O-OG 3.14Å; Y58-S61 PolarHBondContact O-N 3.27Å; S59-S61 PolarHBondContact O-N 3.4Å; S61-F134 WeakPolarHBondContact OG-CB 3.19Å; S61-H138 VanDerWaalsContact O-CA 3.29Å; S61-H138 WeakPolarHBondContact O-CA 3.39Å; S61-H138 WeakPolarHBondContact O-CB 3.25Å; S61-H138 PolarHBondContact O-ND1 3.39Å |
| 62 | F | 98.5 | Very high | 98.4 | Very high | 24 Ų | 24 | 43 Ų | 43 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -133.1 | 30.4 | -163.8 | -62.6 | -71.2 | 0 | 0 | 0 | 114 | W53 Y58 K74 F93 Q97 W141 | W53-F62 HydrophobicContact CH2-CD2 4.18Å; W53-F62 AromaticContact CH2-CE2 3.84Å; W53-F62 HydrophobicContact CH2-CE2 3.84Å; W53-F62 HydrophobicContact CZ2-CD2 4.34Å; W53-F62 HydrophobicContact CZ2-CE2 4.21Å; Y58-F62 HydrophobicContact CD2-CB 4.25Å; Y58-F62 AromaticContact CD2-CD2 3.8Å; Y58-F62 HydrophobicContact CD2-CD2 3.8Å; Y58-F62 HydrophobicContact CD2-CG 4.48Å; Y58-F62 HydrophobicContact CE2-CB 3.7Å; Y58-F62 AromaticContact CE2-CD2 3.68Å; Y58-F62 HydrophobicContact CE2-CD2 3.68Å; Y58-F62 HydrophobicContact CE2-CG 4.02Å; Y58-F62 PolarHBondContact O-N 3.38Å; F62-K74 PolarHBondContact O-NZ 3.36Å; F62-F93 HydrophobicContact CB-CE1 4.44Å; F62-F93 AromaticContact CD1-CE1 3.76Å; F62-F93 HydrophobicContact CD1-CE1 3.76Å; F62-F93 AromaticContact CD1-CZ 3.92Å; F62-F93 HydrophobicContact CD1-CZ 3.92Å; F62-F93 AromaticContact CD2-CE1 3.97Å; F62-F93 HydrophobicContact CD2-CE1 3.97Å; F62-F93 AromaticContact CE1-CE1 3.89Å; F62-F93 HydrophobicContact CE1-CE1 3.89Å; F62-F93 AromaticContact CE1-CZ 3.63Å; F62-F93 HydrophobicContact CE1-CZ 3.63Å; F62-F93 HydrophobicContact CE2-CE1 4.07Å; F62-F93 HydrophobicContact CE2-CZ 4.31Å; F62-F93 AromaticContact CG-CE1 3.8Å; F62-F93 HydrophobicContact CG-CE1 3.8Å; F62-F93 HydrophobicContact CG-CZ 4.4Å; F62-F93 HydrophobicContact CZ-CE1 4.04Å; F62-F93 AromaticContact CZ-CZ 3.84Å; F62-F93 HydrophobicContact CZ-CZ 3.84Å; F62-Q97 HydrophobicContact CE2-CB 3.79Å; F62-Q97 HydrophobicContact CE2-CG 3.69Å; F62-Q97 HydrophobicContact CZ-CB 4.32Å; F62-Q97 HydrophobicContact CZ-CG 3.77Å; F62-W141 HydrophobicContact CE1-CB 3.76Å; F62-W141 HydrophobicContact CZ-CB 4.15Å; F62-W141 HydrophobicContact CZ-CE3 4.37Å |
| 63 | S | 98.2 | Very high | 98.4 | Very high | 10 Ų | 10 | 46.7 Ų | 46.7 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -135 | 137.3 | 174.6 | -167.3 | 0 | 0 | 0 | 0 | 111.6 | S59 G70 N71 | S59-S63 WeakPolarHBondContact O-CB 3.46Å; S59-S63 PolarHBondContact O-N 2.8Å; S63-G70 CarbonylContact O-C 3.52Å; S63-G70 WeakPolarHBondContact O-CA 3.42Å; S63-N71 WeakPolarHBondContact CB-OD1 3.42Å; S63-N71 PolarHBondContact O-N 3.3Å; S63-N71 PolarHBondContact OG-OD1 3.43Å |
| 64 | G | 97.5 | Very high | 98.4 | Very high | 29 Ų | 29 | 48.9 Ų | 48.9 | 30% | 0.299 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 77.5 | 177 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 65 | D | 96.5 | Very high | 98.4 | Very high | 156 Ų | 156 | 47.6 Ų | 47.6 | 83% | 0.834 | 27% | 0.265 | S | S | * | . | trans | -114 | 24.5 | -170.2 | -52.3 | -58.8 | 0 | 0 | 0 | 113.3 | K148 | D65-K148 PolarHBondContact O-NZ 2.8Š| ||
| 66 | G | 98 | Very high | 98.4 | Very high | 28 Ų | 28 | 49.9 Ų | 49.9 | 29% | 0.289 | 27% | 0.274 | S | S | . | . | trans | -59.4 | 159 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | H138 | G66-H138 PolarHBondContact O-NE2 2.95Š| ||
| 67 | D | 98.3 | Very high | 98.3 | Very high | 82 Ų | 82 | 49.5 Ų | 49.5 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -81.6 | -35.8 | 173.8 | -71.6 | -31 | 0 | 0 | 0 | 111.7 | M139 G144 F145 K148 | D67-M139 WeakPolarHBondContact O-CG 3.45Å; D67-G144 CarbonylContact O-C 3.29Å; D67-G144 WeakPolarHBondContact O-CA 3.47Å; D67-F145 HydrophobicContact CB-CB 4.49Å; D67-F145 VanDerWaalsContact O-CB 3.3Å; D67-F145 WeakPolarHBondContact O-CB 3.2Å; D67-F145 PolarHBondContact O-N 2.94Å; D67-K148 IonicContact OD1-NZ 2.67Å; D67-K148 PolarHBondContact OD1-NZ 2.76Å |
| 68 | F | 98.5 | Very high | 98.3 | Very high | 104 Ų | 104 | 54.7 Ų | 54.7 | 46% | 0.456 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -116 | -26.9 | -171.1 | -63 | -79.5 | 0 | 0 | 0 | 114.1 | P135 M139 F145 F353 | F68-P135 WeakPolarHBondContact O-CA 3.37Å; F68-P135 WeakPolarHBondContact O-CB 3.31Å; F68-M139 HydrophobicContact CD1-SD 3.65Å; F68-M139 HydrophobicContact CE1-SD 4.37Å; F68-F145 HydrophobicContact CE1-CB 4.33Å; F68-F145 HydrophobicContact CE1-CD1 4.31Å; F68-F145 HydrophobicContact CE1-CG 4.31Å; F68-F353 HydrophobicContact CD1-CZ 4.3Å; F68-F353 HydrophobicContact CE1-CE2 4.3Å; F68-F353 HydrophobicContact CE1-CZ 4.03Å |
| 69 | I | 98.5 | Very high | 98.2 | Very high | 75 Ų | 75 | 57.7 Ų | 57.7 | 39% | 0.385 | 33% | 0.331 | S | S | . | . | trans | -152 | 146.1 | -176.9 | -163.8 | 170.6 | 0 | 0 | 0 | 109.5 | L60 P135 H138 | L60-I69 HydrophobicContact CB-CD1 4.42Å; L60-I69 HydrophobicContact CB-CG1 4.16Å; L60-I69 HydrophobicContact CD1-CD1 4.29Å; L60-I69 HydrophobicContact CD2-CD1 3.88Å; L60-I69 HydrophobicContact CD2-CG1 4.03Å; L60-I69 HydrophobicContact CG-CD1 4.41Å; I69-P135 HydrophobicContact CD1-CG 4.04Å; I69-P135 HydrophobicContact CG1-CG 4.24Å; I69-H138 VanDerWaalsContact CA-CD2 3.47Å; I69-H138 WeakPolarHBondContact CA-CD2 3.1Å; I69-H138 PolarHBondContact N-CD2 3.28Å; I69-H138 VanDerWaalsContact N-CD2 3.33Å; I69-H138 PolarHBondContact O-NE2 3.13Å | ||
| 70 | G | 98.3 | Very high | 98.2 | Very high | 10 Ų | 10 | 58.3 Ų | 58.3 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | trans | -69.5 | -174.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L60 S63 H138 | L60-G70 WeakPolarHBondContact O-CA 3.24Å; L60-G70 PolarHBondContact O-N 3.34Å; S63-G70 CarbonylContact O-C 3.52Å; S63-G70 WeakPolarHBondContact O-CA 3.42Å; G70-H138 PolarHBondContact N-CD2 3.27Å | ||
| 71 | N | 98.3 | Very high | 98.2 | Very high | 47 Ų | 47 | 59 Ų | 59 | 25% | 0.251 | 34% | 0.341 | S | S | . | . | trans | -106 | -169.3 | -178.5 | 73.6 | 15.9 | 0 | 0 | 0 | 112.4 | S59 S63 D73 | S59-N71 CarbonylContact C-O 3.6Å; S59-N71 VanDerWaalsContact C-O 3.29Å; S59-N71 WeakPolarHBondContact CB-O 3.5Å; S59-N71 PolarHBondContact OG-O 3.37Å; S63-N71 WeakPolarHBondContact CB-OD1 3.42Å; S63-N71 PolarHBondContact O-N 3.3Å; S63-N71 PolarHBondContact OG-OD1 3.43Å; N71-D73 VanDerWaalsContact ND2-CG 3.31Å; N71-D73 PolarHBondContact ND2-OD2 2.81Å; N71-D73 WeakPolarHBondContact OD1-CB 3.38Å; N71-D73 PolarHBondContact OD1-N 2.81Å; N71-D73 VanDerWaalsContact OD1-N 3.12Å | ||
| 72 | L | 98.5 | Very high | 98.1 | Very high | 105 Ų | 105 | 64.9 Ų | 64.9 | 55% | 0.55 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -103.8 | 8.2 | -176 | -60.2 | -178.8 | 0 | 0 | 0 | 114.1 | I56 S59 L60 K74 V75 | I56-L72 HydrophobicContact CD1-CD2 3.82Å; I56-L72 HydrophobicContact CG1-CD2 4.16Å; S59-L72 VanDerWaalsContact OG-C 3.26Å; S59-L72 WeakPolarHBondContact OG-CA 3.17Å; L60-L72 HydrophobicContact CD2-CD2 3.86Å; L72-K74 PolarHBondContact O-N 2.94Å; L72-V75 HydrophobicContact CB-CG2 3.88Å; L72-V75 HydrophobicContact CD2-CG2 3.86Å; L72-V75 HydrophobicContact CG-CG2 4.44Å; L72-V75 WeakPolarHBondContact O-CB 3.2Å; L72-V75 VanDerWaalsContact O-CG2 3.27Å; L72-V75 WeakPolarHBondContact O-CG2 3.13Å; L72-V75 PolarHBondContact O-N 3.33Å |
| 73 | D | 98.5 | Very high | 98 | Very high | 104 Ų | 104 | 68.8 Ų | 68.8 | 56% | 0.556 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -27.8 | -170.8 | -64.6 | -13.8 | 0 | 0 | 0 | 113.1 | S59 N71 N78 | S59-D73 PolarHBondContact OG-N 3.36Å; N71-D73 VanDerWaalsContact ND2-CG 3.31Å; N71-D73 PolarHBondContact ND2-OD2 2.81Å; N71-D73 WeakPolarHBondContact OD1-CB 3.38Å; N71-D73 PolarHBondContact OD1-N 2.81Å; N71-D73 VanDerWaalsContact OD1-N 3.12Å; D73-N78 PolarHBondContact O-ND2 3.14Å; D73-N78 VanDerWaalsContact O-ND2 3.09Å |
| 74 | K | 98.5 | Very high | 98 | Very high | 46 Ų | 46 | 75.8 Ų | 75.8 | 20% | 0.2 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 18.8 | -179 | -56 | -173.5 | -169.9 | 171.2 | 0 | 113.4 | Y58 S59 F62 L72 F77 N78 V80 E90 | Y58-K74 HydrophobicContact CD1-CB 4.24Å; Y58-K74 HydrophobicContact CD1-CD 4.1Å; Y58-K74 HydrophobicContact CE1-CD 3.57Å; S59-K74 PolarHBondContact OG-N 2.93Å; F62-K74 PolarHBondContact O-NZ 3.36Å; L72-K74 PolarHBondContact O-N 2.94Å; K74-F77 WeakPolarHBondContact O-CA 3.49Å; K74-F77 PolarHBondContact O-N 3.11Å; K74-N78 WeakPolarHBondContact CA-O 3.4Å; K74-V80 HydrophobicContact CB-CG2 4.24Å; K74-V80 HydrophobicContact CD-CG2 4.16Å; K74-E90 WeakPolarHBondContact CD-OE1 3.28Å; K74-E90 WeakPolarHBondContact CE-OE1 3.25Å; K74-E90 IonicContact NZ-OE1 2.63Å; K74-E90 PolarHBondContact NZ-OE1 3.37Å |
| 75 | V | 98.4 | Very high | 97.9 | Very high | 44 Ų | 44 | 77 Ų | 77 | 27% | 0.267 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -53 | 142.1 | 169.9 | 161.1 | 0 | 0 | 0 | 0 | 109.8 | V55 I56 S59 L72 F77 N78 | V55-V75 WeakPolarHBondContact O-CG1 3.26Å; I56-V75 HydrophobicContact CG1-CG2 4.11Å; S59-V75 PolarHBondContact OG-N 3.17Å; L72-V75 HydrophobicContact CB-CG2 3.88Å; L72-V75 HydrophobicContact CD2-CG2 3.86Å; L72-V75 HydrophobicContact CG-CG2 4.44Å; L72-V75 WeakPolarHBondContact O-CB 3.2Å; L72-V75 VanDerWaalsContact O-CG2 3.27Å; L72-V75 WeakPolarHBondContact O-CG2 3.13Å; L72-V75 PolarHBondContact O-N 3.33Å; V75-F77 PolarHBondContact O-N 3.2Å; V75-N78 WeakPolarHBondContact O-CB 3.22Å; V75-N78 PolarHBondContact O-N 2.98Å |
| 76 | L | 98.3 | Very high | 97.8 | Very high | 122 Ų | 122 | 77.2 Ų | 77.2 | 64% | 0.639 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | 54.8 | 28 | -173.5 | -59.9 | 170.4 | 0 | 0 | 0 | 113.7 | I54 V55 N78 | I54-L76 CarbonylContact O-C 3.6Å; I54-L76 VanDerWaalsContact O-CA 3.24Å; I54-L76 WeakPolarHBondContact O-CA 3.4Å; I54-L76 PolarHBondContact O-N 3.17Å; V55-L76 HydrophobicContact CG2-CD2 4.33Å; V55-L76 PolarHBondContact O-N 2.87Å; L76-N78 PolarHBondContact O-N 3.43Å |
| 77 | F | 97.4 | Very high | 97.7 | Very high | 36 Ų | 36 | 77.6 Ų | 77.6 | 16% | 0.158 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | 59.9 | 24.6 | -174.7 | -89.9 | -129.5 | 0 | 0 | 0 | 113.5 | W53 I54 Y58 K74 V75 G79 V80 M82 A94 | W53-F77 AromaticContact CD1-CE2 3.78Å; W53-F77 AromaticContact CD1-CZ 3.81Å; W53-F77 AromaticContact NE1-CZ 3.81Å; I54-F77 HydrophobicContact CB-CD2 4.4Å; I54-F77 HydrophobicContact CB-CE2 4.45Å; I54-F77 HydrophobicContact CD1-CD1 4.38Å; I54-F77 HydrophobicContact CD1-CD2 3.83Å; I54-F77 HydrophobicContact CD1-CE1 3.99Å; I54-F77 HydrophobicContact CD1-CE2 3.41Å; I54-F77 VanDerWaalsContact CD1-CE2 3.41Å; I54-F77 HydrophobicContact CD1-CG 4.3Å; I54-F77 HydrophobicContact CD1-CZ 3.48Å; I54-F77 VanDerWaalsContact CD1-CZ 3.48Å; I54-F77 HydrophobicContact CG1-CE2 4.42Å; I54-F77 HydrophobicContact CG2-CD2 4.26Å; I54-F77 PolarHBondContact O-N 3.47Å; Y58-F77 HydrophobicContact CD1-CE2 4.46Å; Y58-F77 HydrophobicContact CG-CE2 4.17Å; Y58-F77 HydrophobicContact CG-CZ 4.35Å; K74-F77 WeakPolarHBondContact O-CA 3.49Å; K74-F77 PolarHBondContact O-N 3.11Å; V75-F77 PolarHBondContact O-N 3.2Å; F77-G79 PolarHBondContact O-N 3.5Å; F77-V80 HydrophobicContact CB-CB 4.29Å; F77-V80 HydrophobicContact CB-CG2 4.1Å; F77-V80 HydrophobicContact CD1-CB 3.99Å; F77-V80 HydrophobicContact CD1-CG1 3.87Å; F77-V80 HydrophobicContact CD1-CG2 4.13Å; F77-V80 HydrophobicContact CE1-CG1 4.19Å; F77-V80 HydrophobicContact CG-CB 4.35Å; F77-V80 HydrophobicContact CG-CG2 4.1Å; F77-V80 WeakPolarHBondContact O-CB 3.47Å; F77-V80 WeakPolarHBondContact O-CG2 3.13Å; F77-V80 PolarHBondContact O-N 2.95Å; F77-V80 VanDerWaalsContact O-N 3.14Å; F77-M82 HydrophobicContact CD1-CE 4.36Å; F77-A94 HydrophobicContact CE1-CB 3.77Å; F77-A94 HydrophobicContact CZ-CB 3.71Å |
| 78 | N | 98.4 | Very high | 97.7 | Very high | 109 Ų | 109 | 74 Ų | 74 | 58% | 0.583 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 127.7 | 176.8 | 179.5 | 55.4 | 0 | 0 | 0 | 111.1 | D73 K74 V75 L76 V80 | D73-N78 PolarHBondContact O-ND2 3.14Å; D73-N78 VanDerWaalsContact O-ND2 3.09Å; K74-N78 WeakPolarHBondContact CA-O 3.4Å; V75-N78 WeakPolarHBondContact O-CB 3.22Å; V75-N78 PolarHBondContact O-N 2.98Å; L76-N78 PolarHBondContact O-N 3.43Å; N78-V80 PolarHBondContact O-N 3.29Å |
| 79 | G | 98 | Very high | 97.7 | Very high | 67 Ų | 67 | 69.5 Ų | 69.5 | 69% | 0.691 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | -2.9 | -180 | 0 | 0 | 0 | 0 | 0 | 116.1 | F77 S81 | F77-G79 PolarHBondContact O-N 3.5Å; G79-S81 PolarHBondContact O-N 3.42Å |
| 80 | V | 98.2 | Very high | 97.7 | Very high | 14 Ų | 14 | 67.7 Ų | 67.7 | 9% | 0.085 | 39% | 0.394 | C | S | . | . | trans | -70.4 | 115.7 | 179.3 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | Y58 K74 F77 N78 M82 E90 | Y58-V80 HydrophobicContact CD1-CG2 3.72Å; Y58-V80 HydrophobicContact CE1-CG1 4.31Å; Y58-V80 HydrophobicContact CE1-CG2 3.58Å; K74-V80 HydrophobicContact CB-CG2 4.24Å; K74-V80 HydrophobicContact CD-CG2 4.16Å; F77-V80 HydrophobicContact CB-CB 4.29Å; F77-V80 HydrophobicContact CB-CG2 4.1Å; F77-V80 HydrophobicContact CD1-CB 3.99Å; F77-V80 HydrophobicContact CD1-CG1 3.87Å; F77-V80 HydrophobicContact CD1-CG2 4.13Å; F77-V80 HydrophobicContact CE1-CG1 4.19Å; F77-V80 HydrophobicContact CG-CB 4.35Å; F77-V80 HydrophobicContact CG-CG2 4.1Å; F77-V80 WeakPolarHBondContact O-CB 3.47Å; F77-V80 WeakPolarHBondContact O-CG2 3.13Å; F77-V80 PolarHBondContact O-N 2.95Å; F77-V80 VanDerWaalsContact O-N 3.14Å; N78-V80 PolarHBondContact O-N 3.29Å; V80-M82 HydrophobicContact CG1-CE 4.13Å; V80-E90 HydrophobicContact CG1-CB 4.36Å; V80-E90 HydrophobicContact CG1-CG 4.02Å | ||
| 81 | S | 98 | Very high | 97.7 | Very high | 28 Ų | 28 | 67.6 Ų | 67.6 | 20% | 0.196 | 39% | 0.393 | C | S | . | . | trans | -81.4 | 131 | -173.5 | -174.6 | 0 | 0 | 0 | 0 | 113.4 | G79 T83 K84 E90 G91 | G79-S81 PolarHBondContact O-N 3.42Å; S81-T83 VanDerWaalsContact C-N 3.29Å; S81-T83 PolarHBondContact OG-N 3.35Å; S81-K84 WeakPolarHBondContact CB-O 3.24Å; S81-K84 WeakPolarHBondContact OG-CB 3.4Å; S81-K84 PolarHBondContact OG-N 3.11Å; S81-E90 PolarHBondContact N-OE2 3.38Å; S81-E90 VanDerWaalsContact N-OE2 3.16Å; S81-E90 PolarHBondContact O-N 2.88Å; S81-G91 PolarHBondContact O-N 3.3Å | ||
| 82 | M | 97.9 | Very high | 97.7 | Very high | 122 Ų | 122 | 66 Ų | 66 | 60% | 0.601 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -83.1 | -4.5 | 173.1 | -59.4 | -60.2 | 137.7 | 0 | 0 | 113.3 | F77 V80 P89 | F77-M82 HydrophobicContact CD1-CE 4.36Å; V80-M82 HydrophobicContact CG1-CE 4.13Å; M82-P89 WeakPolarHBondContact O-CB 3.37Å |
| 83 | T | 96.8 | Very high | 97.7 | Very high | 106 Ų | 106 | 63 Ų | 63 | 65% | 0.65 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -132.8 | -18.7 | -174 | 56.8 | 0 | 0 | 0 | 0 | 114.6 | S81 | S81-T83 VanDerWaalsContact C-N 3.29Å; S81-T83 PolarHBondContact OG-N 3.35Å |
| 84 | K | 96.9 | Very high | 97.7 | Very high | 157 Ų | 157 | 58.1 Ų | 58.1 | 68% | 0.683 | 34% | 0.341 | S | S | * | . | trans | -117.9 | 150.5 | -179 | -57.1 | -178.5 | 179.9 | 178.9 | 0 | 110.1 | S81 P89 E90 | S81-K84 WeakPolarHBondContact CB-O 3.24Å; S81-K84 WeakPolarHBondContact OG-CB 3.4Å; S81-K84 PolarHBondContact OG-N 3.11Å; K84-P89 WeakPolarHBondContact O-CA 3.41Å; K84-E90 PolarHBondContact O-N 3.1Å | ||
| 85 | G | 95.4 | Very high | 97.7 | Very high | 54 Ų | 54 | 60.2 Ų | 60.2 | 56% | 0.557 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 164.1 | -172.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | I88 | G85-I88 CarbonylContact C-O 3.29Å; G85-I88 VanDerWaalsContact C-O 3.29Å; G85-I88 WeakPolarHBondContact CA-O 3.43Å |
| 86 | D | 94.5 | Very high | 97.8 | Very high | 161 Ų | 161 | 58.1 Ų | 58.1 | 86% | 0.861 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -91.5 | 110.1 | 177.2 | -175.1 | 21.6 | 0 | 0 | 0 | 110.8 | I88 | D86-I88 PolarHBondContact N-O 2.89Å; D86-I88 PolarHBondContact O-N 2.77Å |
| 87 | G | 95.6 | Very high | 97.8 | Very high | 37 Ų | 37 | 52.9 Ų | 52.9 | 38% | 0.381 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 68.4 | -31 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 88 | I | 98.2 | Very high | 97.9 | Very high | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -140 | 156.9 | 177.6 | 57.5 | 174.8 | 0 | 0 | 0 | 110.2 | N4 I8 G85 D86 L92 F93 L214 | N4-I88 HydrophobicContact CB-CG2 3.61Å; I8-I88 HydrophobicContact CG1-CD1 4.25Å; I8-I88 HydrophobicContact CG1-CG2 4.34Å; I8-I88 HydrophobicContact CG2-CD1 4.15Å; G85-I88 CarbonylContact C-O 3.29Å; G85-I88 VanDerWaalsContact C-O 3.29Å; G85-I88 WeakPolarHBondContact CA-O 3.43Å; D86-I88 PolarHBondContact N-O 2.89Å; D86-I88 PolarHBondContact O-N 2.77Å; I88-L92 HydrophobicContact CB-CD2 4.36Å; I88-L92 HydrophobicContact CG2-CD2 4.5Å; I88-F93 HydrophobicContact CD1-CB 4.01Å; I88-F93 HydrophobicContact CG1-CB 4.47Å; I88-L214 HydrophobicContact CD1-CD2 4.37Å |
| 89 | P | 98.4 | Very high | 97.9 | Very high | 11 Ų | 11 | 46.6 Ų | 46.6 | 7% | 0.071 | 28% | 0.278 | C | S | . | . | trans | -58.1 | 141.5 | 172.2 | -25.2 | 35.4 | 0 | 0 | 0 | 112.5 | I5 M82 K84 G91 L92 F93 | I5-P89 HydrophobicContact CD1-CG 4Å; I5-P89 HydrophobicContact CG1-CG 4.31Å; M82-P89 WeakPolarHBondContact O-CB 3.37Å; K84-P89 WeakPolarHBondContact O-CA 3.41Å; P89-G91 VanDerWaalsContact C-N 3.28Å; P89-G91 PolarHBondContact O-N 2.87Å; P89-L92 HydrophobicContact CB-CB 4.4Å; P89-L92 WeakPolarHBondContact O-CA 3.37Å; P89-L92 WeakPolarHBondContact O-CB 3.37Å; P89-L92 PolarHBondContact O-N 3.06Å; P89-F93 PolarHBondContact O-N 2.92Å; P89-F93 VanDerWaalsContact O-N 3.08Å | ||
| 90 | E | 98.5 | Very high | 97.9 | Very high | 36 Ų | 36 | 43.4 Ų | 43.4 | 17% | 0.168 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.6 | -40.8 | 179.1 | -173 | -170.4 | 176.4 | 0 | 0 | 112.1 | Y58 K74 V80 S81 K84 L92 F93 A94 | Y58-E90 HydrophobicContact CE1-CG 4.49Å; Y58-E90 WeakPolarHBondContact OH-CG 3.44Å; Y58-E90 PolarHBondContact OH-OE1 3.45Å; K74-E90 WeakPolarHBondContact CD-OE1 3.28Å; K74-E90 WeakPolarHBondContact CE-OE1 3.25Å; K74-E90 IonicContact NZ-OE1 2.63Å; K74-E90 PolarHBondContact NZ-OE1 3.37Å; V80-E90 HydrophobicContact CG1-CB 4.36Å; V80-E90 HydrophobicContact CG1-CG 4.02Å; S81-E90 PolarHBondContact N-OE2 3.38Å; S81-E90 VanDerWaalsContact N-OE2 3.16Å; S81-E90 PolarHBondContact O-N 2.88Å; K84-E90 PolarHBondContact O-N 3.1Å; E90-L92 PolarHBondContact O-N 2.66Å; E90-F93 WeakPolarHBondContact O-CB 3.47Å; E90-F93 PolarHBondContact O-N 3.4Å; E90-A94 WeakPolarHBondContact O-CB 3.16Å; E90-A94 PolarHBondContact O-N 3.17Å |
| 91 | G | 98.7 | Very high | 97.9 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.3 | -31.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S81 P89 F95 | S81-G91 PolarHBondContact O-N 3.3Å; P89-G91 VanDerWaalsContact C-N 3.28Å; P89-G91 PolarHBondContact O-N 2.87Å; G91-F95 WeakPolarHBondContact O-CB 3.15Å; G91-F95 PolarHBondContact O-N 3.43Å |
| 92 | L | 98.8 | Very high | 98 | Very high | 15 Ų | 15 | 41.4 Ų | 41.4 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -75.1 | -42.3 | 175.1 | 179 | 57.1 | 0 | 0 | 0 | 111.5 | I5 I8 L9 I88 P89 E90 A94 F95 F96 | I5-L92 HydrophobicContact CB-CD2 4.22Å; I5-L92 HydrophobicContact CG1-CD2 4.32Å; I5-L92 HydrophobicContact CG2-CD2 4.03Å; I8-L92 HydrophobicContact CB-CD2 3.98Å; I8-L92 HydrophobicContact CB-CG 4.19Å; I8-L92 HydrophobicContact CG2-CD1 4.02Å; I8-L92 HydrophobicContact CG2-CD2 4.13Å; I8-L92 HydrophobicContact CG2-CG 3.77Å; L9-L92 HydrophobicContact CD2-CD1 3.57Å; L9-L92 HydrophobicContact CG-CD1 3.79Å; L9-L92 HydrophobicContact CG-CD2 4.26Å; I88-L92 HydrophobicContact CB-CD2 4.36Å; I88-L92 HydrophobicContact CG2-CD2 4.5Å; P89-L92 HydrophobicContact CB-CB 4.4Å; P89-L92 WeakPolarHBondContact O-CA 3.37Å; P89-L92 WeakPolarHBondContact O-CB 3.37Å; P89-L92 PolarHBondContact O-N 3.06Å; E90-L92 PolarHBondContact O-N 2.66Å; L92-A94 VanDerWaalsContact C-N 3.32Å; L92-A94 PolarHBondContact O-N 3.44Å; L92-F95 PolarHBondContact O-N 2.85Å; L92-F96 WeakPolarHBondContact O-CB 3.45Å; L92-F96 PolarHBondContact O-N 2.95Å |
| 93 | F | 98.8 | Very high | 98 | Very high | 42 Ų | 42 | 35.8 Ų | 35.8 | 18% | 0.184 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.2 | -47.5 | 171.2 | 172.8 | -97 | 0 | 0 | 0 | 111.1 | Y58 F62 I88 P89 E90 F95 F96 Q97 L214 | Y58-F93 HydrophobicContact CE2-CD1 4.1Å; Y58-F93 HydrophobicContact CE2-CE1 4.25Å; F62-F93 HydrophobicContact CB-CE1 4.44Å; F62-F93 AromaticContact CD1-CE1 3.76Å; F62-F93 HydrophobicContact CD1-CE1 3.76Å; F62-F93 AromaticContact CD1-CZ 3.92Å; F62-F93 HydrophobicContact CD1-CZ 3.92Å; F62-F93 AromaticContact CD2-CE1 3.97Å; F62-F93 HydrophobicContact CD2-CE1 3.97Å; F62-F93 AromaticContact CE1-CE1 3.89Å; F62-F93 HydrophobicContact CE1-CE1 3.89Å; F62-F93 AromaticContact CE1-CZ 3.63Å; F62-F93 HydrophobicContact CE1-CZ 3.63Å; F62-F93 HydrophobicContact CE2-CE1 4.07Å; F62-F93 HydrophobicContact CE2-CZ 4.31Å; F62-F93 AromaticContact CG-CE1 3.8Å; F62-F93 HydrophobicContact CG-CE1 3.8Å; F62-F93 HydrophobicContact CG-CZ 4.4Å; F62-F93 HydrophobicContact CZ-CE1 4.04Å; F62-F93 AromaticContact CZ-CZ 3.84Å; F62-F93 HydrophobicContact CZ-CZ 3.84Å; I88-F93 HydrophobicContact CD1-CB 4.01Å; I88-F93 HydrophobicContact CG1-CB 4.47Å; P89-F93 PolarHBondContact O-N 2.92Å; P89-F93 VanDerWaalsContact O-N 3.08Å; E90-F93 WeakPolarHBondContact O-CB 3.47Å; E90-F93 PolarHBondContact O-N 3.4Å; F93-F95 VanDerWaalsContact C-N 3.32Å; F93-F95 PolarHBondContact O-N 3.26Å; F93-F96 PolarHBondContact O-N 3.28Å; F93-Q97 HydrophobicContact CD1-CG 4.33Å; F93-Q97 HydrophobicContact CD2-CG 4.31Å; F93-Q97 HydrophobicContact CE1-CG 3.91Å; F93-Q97 HydrophobicContact CE2-CG 3.9Å; F93-Q97 HydrophobicContact CZ-CG 3.68Å; F93-Q97 WeakPolarHBondContact O-CB 3.41Å; F93-Q97 WeakPolarHBondContact O-CG 3.25Å; F93-Q97 PolarHBondContact O-N 3.48Å; F93-L214 HydrophobicContact CD2-CD1 4.05Å; F93-L214 HydrophobicContact CD2-CD2 3.97Å; F93-L214 HydrophobicContact CE2-CD1 3.9Å; F93-L214 HydrophobicContact CE2-CD2 4.25Å |
| 94 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.5 | -40.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | W53 Y58 F77 E90 L92 M98 | W53-A94 PolarHBondContact NE1-O 3.37Å; Y58-A94 HydrophobicContact CD1-CB 4.27Å; Y58-A94 HydrophobicContact CD2-CB 3.46Å; Y58-A94 VanDerWaalsContact CD2-CB 3.46Å; Y58-A94 HydrophobicContact CE1-CB 4.16Å; Y58-A94 HydrophobicContact CE2-CB 3.37Å; Y58-A94 HydrophobicContact CG-CB 3.94Å; F77-A94 HydrophobicContact CE1-CB 3.77Å; F77-A94 HydrophobicContact CZ-CB 3.71Å; E90-A94 WeakPolarHBondContact O-CB 3.16Å; E90-A94 PolarHBondContact O-N 3.17Å; L92-A94 VanDerWaalsContact C-N 3.32Å; L92-A94 PolarHBondContact O-N 3.44Å; A94-M98 WeakPolarHBondContact O-CB 3.36Å; A94-M98 PolarHBondContact O-N 2.99Å |
| 95 | F | 98.8 | Very high | 98.2 | Very high | 90 Ų | 90 | 23.3 Ų | 23.3 | 40% | 0.395 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -67.9 | -41.8 | 176.6 | -175.8 | -106.2 | 0 | 0 | 0 | 112.3 | G91 L92 F93 M98 M99 | G91-F95 WeakPolarHBondContact O-CB 3.15Å; G91-F95 PolarHBondContact O-N 3.43Å; L92-F95 PolarHBondContact O-N 2.85Å; F93-F95 VanDerWaalsContact C-N 3.32Å; F93-F95 PolarHBondContact O-N 3.26Å; F95-M98 HydrophobicContact CD2-CE 3.52Å; F95-M98 HydrophobicContact CE2-CE 3.57Å; F95-M98 WeakPolarHBondContact O-CB 3.28Å; F95-M98 PolarHBondContact O-N 3.34Å; F95-M99 HydrophobicContact CD2-CE 3.96Å; F95-M99 HydrophobicContact CE1-CE 4.19Å; F95-M99 HydrophobicContact CE2-CE 3.54Å; F95-M99 HydrophobicContact CG-CE 4.44Å; F95-M99 HydrophobicContact CZ-CE 3.66Å; F95-M99 WeakPolarHBondContact O-CE 3.12Å |
| 96 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.7 | -50.2 | 175.5 | 179.2 | -113.2 | 0 | 0 | 0 | 111.1 | I8 C11 S12 V15 L92 F93 M98 M99 F100 G211 L214 | I8-F96 HydrophobicContact CG2-CB 3.89Å; I8-F96 HydrophobicContact CG2-CD2 4.28Å; I8-F96 HydrophobicContact CG2-CG 4.06Å; C11-F96 HydrophobicContact CB-CD2 4.31Å; C11-F96 HydrophobicContact CB-CE2 3.82Å; S12-F96 WeakPolarHBondContact OG-CA 3.21Å; S12-F96 WeakPolarHBondContact OG-CB 3.2Å; V15-F96 HydrophobicContact CG2-CE2 3.93Å; L92-F96 WeakPolarHBondContact O-CB 3.45Å; L92-F96 PolarHBondContact O-N 2.95Å; F93-F96 PolarHBondContact O-N 3.28Å; F96-M98 VanDerWaalsContact C-N 3.3Å; F96-M98 PolarHBondContact O-N 3.16Å; F96-M99 WeakPolarHBondContact O-CB 3.39Å; F96-M99 PolarHBondContact O-N 3.25Å; F96-M99 VanDerWaalsContact O-N 3.09Å; F96-F100 AromaticContact CD1-CE2 3.98Å; F96-F100 HydrophobicContact CD1-CE2 3.98Å; F96-F100 HydrophobicContact CD2-CE2 4.22Å; F96-F100 AromaticContact CE1-CE2 3.5Å; F96-F100 HydrophobicContact CE1-CE2 3.5Å; F96-F100 AromaticContact CE1-CZ 3.69Å; F96-F100 HydrophobicContact CE1-CZ 3.69Å; F96-F100 AromaticContact CE2-CE2 3.77Å; F96-F100 HydrophobicContact CE2-CE2 3.77Å; F96-F100 HydrophobicContact CE2-CZ 4.25Å; F96-F100 HydrophobicContact CG-CE2 4.32Å; F96-F100 AromaticContact CZ-CE2 3.39Å; F96-F100 HydrophobicContact CZ-CE2 3.39Å; F96-F100 AromaticContact CZ-CZ 3.51Å; F96-F100 HydrophobicContact CZ-CZ 3.51Å; F96-F100 WeakPolarHBondContact O-CD2 3.26Å; F96-G211 VanDerWaalsContact CZ-C 3.42Å; F96-L214 HydrophobicContact CD1-CD2 4.12Å; F96-L214 HydrophobicContact CE1-CD2 4.26Å |
| 97 | Q | 98.9 | Very high | 98.6 | Very high | 12 Ų | 12 | 13.1 Ų | 13.1 | 6% | 0.056 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.8 | -33.7 | 179.1 | -70.5 | -65.2 | -27.4 | 0 | 0 | 113.1 | W53 F62 F93 M99 F100 | W53-Q97 HydrophobicContact CH2-CB 3.97Å; W53-Q97 HydrophobicContact CZ2-CB 3.66Å; F62-Q97 HydrophobicContact CE2-CB 3.79Å; F62-Q97 HydrophobicContact CE2-CG 3.69Å; F62-Q97 HydrophobicContact CZ-CB 4.32Å; F62-Q97 HydrophobicContact CZ-CG 3.77Å; F93-Q97 HydrophobicContact CD1-CG 4.33Å; F93-Q97 HydrophobicContact CD2-CG 4.31Å; F93-Q97 HydrophobicContact CE1-CG 3.91Å; F93-Q97 HydrophobicContact CE2-CG 3.9Å; F93-Q97 HydrophobicContact CZ-CG 3.68Å; F93-Q97 WeakPolarHBondContact O-CB 3.41Å; F93-Q97 WeakPolarHBondContact O-CG 3.25Å; F93-Q97 PolarHBondContact O-N 3.48Å; Q97-M99 PolarHBondContact O-N 3.14Å; Q97-F100 WeakPolarHBondContact O-CB 3.22Å; Q97-F100 PolarHBondContact O-N 2.61Å; Q97-F100 VanDerWaalsContact O-N 3.1Å |
| 98 | M | 98.9 | Very high | 98.7 | Very high | 11 Ų | 11 | 11.4 Ų | 11.4 | 5% | 0.054 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -53.9 | -39.8 | 173.2 | -172.7 | 167.4 | 69.4 | 0 | 0 | 112 | W53 I54 A94 F95 F96 F100 A101 L102 | W53-M98 HydrophobicContact CB-CG 3.72Å; W53-M98 HydrophobicContact CB-SD 3.83Å; W53-M98 VanDerWaalsContact CD1-CB 3.49Å; W53-M98 VanDerWaalsContact CD1-CG 3.48Å; W53-M98 HydrophobicContact CD2-CB 4.03Å; W53-M98 HydrophobicContact CD2-CG 4.14Å; W53-M98 HydrophobicContact CG-CB 3.79Å; W53-M98 HydrophobicContact CG-CG 3.5Å; W53-M98 VanDerWaalsContact CG-CG 3.5Å; W53-M98 HydrophobicContact CG-SD 3.82Å; I54-M98 HydrophobicContact CD1-SD 4.3Å; I54-M98 HydrophobicContact CG1-SD 4.49Å; A94-M98 WeakPolarHBondContact O-CB 3.36Å; A94-M98 PolarHBondContact O-N 2.99Å; F95-M98 HydrophobicContact CD2-CE 3.52Å; F95-M98 HydrophobicContact CE2-CE 3.57Å; F95-M98 WeakPolarHBondContact O-CB 3.28Å; F95-M98 PolarHBondContact O-N 3.34Å; F96-M98 VanDerWaalsContact C-N 3.3Å; F96-M98 PolarHBondContact O-N 3.16Å; M98-F100 PolarHBondContact O-N 3.12Å; M98-A101 VanDerWaalsContact O-CB 3.31Å; M98-A101 WeakPolarHBondContact O-CB 3.44Å; M98-A101 PolarHBondContact O-N 3.07Å; M98-A101 VanDerWaalsContact O-N 3.08Å; M98-L102 HydrophobicContact CG-CD1 3.95Å; M98-L102 WeakPolarHBondContact O-CD1 3.36Å; M98-L102 PolarHBondContact O-N 3.22Å |
| 99 | M | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 11.1 Ų | 11.1 | 2% | 0.015 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -64.3 | -28.3 | -177.1 | -55.9 | -61.1 | 122.8 | 0 | 0 | 112.5 | S12 V15 F16 F95 F96 Q97 L102 I103 | S12-M99 WeakPolarHBondContact O-CG 3.49Å; V15-M99 HydrophobicContact CB-CB 3.69Å; V15-M99 HydrophobicContact CB-CG 4.41Å; V15-M99 HydrophobicContact CG1-CB 3.39Å; F16-M99 HydrophobicContact CB-SD 3.6Å; F16-M99 VanDerWaalsContact CB-SD 3.6Å; F16-M99 HydrophobicContact CD2-SD 3.93Å; F16-M99 HydrophobicContact CG-SD 4.25Å; F95-M99 HydrophobicContact CD2-CE 3.96Å; F95-M99 HydrophobicContact CE1-CE 4.19Å; F95-M99 HydrophobicContact CE2-CE 3.54Å; F95-M99 HydrophobicContact CG-CE 4.44Å; F95-M99 HydrophobicContact CZ-CE 3.66Å; F95-M99 WeakPolarHBondContact O-CE 3.12Å; F96-M99 WeakPolarHBondContact O-CB 3.39Å; F96-M99 PolarHBondContact O-N 3.25Å; F96-M99 VanDerWaalsContact O-N 3.09Å; Q97-M99 PolarHBondContact O-N 3.14Å; M99-L102 PolarHBondContact O-N 2.93Å; M99-L102 HydrophobicContact SD-CD2 4.38Å; M99-I103 PolarHBondContact O-N 3.2Å |
| 100 | F | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -68.1 | -42.2 | 175.4 | -69.3 | -119.7 | 0 | 0 | 0 | 109.5 | V15 F96 Q97 M98 L102 I103 T104 Y133 W141 A155 V160 F208 | V15-F100 HydrophobicContact CG1-CD2 4.18Å; V15-F100 HydrophobicContact CG1-CE2 4.22Å; V15-F100 HydrophobicContact CG2-CE2 4.17Å; F96-F100 AromaticContact CD1-CE2 3.98Å; F96-F100 HydrophobicContact CD1-CE2 3.98Å; F96-F100 HydrophobicContact CD2-CE2 4.22Å; F96-F100 AromaticContact CE1-CE2 3.5Å; F96-F100 HydrophobicContact CE1-CE2 3.5Å; F96-F100 AromaticContact CE1-CZ 3.69Å; F96-F100 HydrophobicContact CE1-CZ 3.69Å; F96-F100 AromaticContact CE2-CE2 3.77Å; F96-F100 HydrophobicContact CE2-CE2 3.77Å; F96-F100 HydrophobicContact CE2-CZ 4.25Å; F96-F100 HydrophobicContact CG-CE2 4.32Å; F96-F100 AromaticContact CZ-CE2 3.39Å; F96-F100 HydrophobicContact CZ-CE2 3.39Å; F96-F100 AromaticContact CZ-CZ 3.51Å; F96-F100 HydrophobicContact CZ-CZ 3.51Å; F96-F100 WeakPolarHBondContact O-CD2 3.26Å; Q97-F100 WeakPolarHBondContact O-CB 3.22Å; Q97-F100 PolarHBondContact O-N 2.61Å; Q97-F100 VanDerWaalsContact O-N 3.1Å; M98-F100 PolarHBondContact O-N 3.12Å; F100-L102 VanDerWaalsContact C-N 3.28Å; F100-L102 PolarHBondContact O-N 3.48Å; F100-I103 VanDerWaalsContact O-CG2 3.3Å; F100-I103 WeakPolarHBondContact O-CG2 3.47Å; F100-I103 PolarHBondContact O-N 3.15Å; F100-T104 WeakPolarHBondContact O-CB 3.46Å; F100-T104 PolarHBondContact O-N 3.02Å; F100-T104 PolarHBondContact O-OG1 3.3Å; F100-Y133 VanDerWaalsContact C-OH 3.29Å; F100-Y133 WeakPolarHBondContact CB-OH 3.47Å; F100-W141 AromaticContact CD1-CH2 3.97Å; F100-W141 HydrophobicContact CD1-CH2 3.97Å; F100-W141 HydrophobicContact CD1-CZ3 4.41Å; F100-A155 WeakPolarHBondContact CD1-O 3.41Å; F100-A155 HydrophobicContact CE1-CB 4.41Å; F100-A155 WeakPolarHBondContact CE1-O 3.38Å; F100-V160 HydrophobicContact CB-CG2 4.33Å; F100-V160 HydrophobicContact CD1-CG2 4.05Å; F100-F208 HydrophobicContact CD1-CD2 4.33Å; F100-F208 AromaticContact CD1-CE1 3.91Å; F100-F208 HydrophobicContact CD1-CE1 3.91Å; F100-F208 AromaticContact CD1-CE2 3.6Å; F100-F208 HydrophobicContact CD1-CE2 3.6Å; F100-F208 AromaticContact CD1-CZ 3.37Å; F100-F208 HydrophobicContact CD1-CZ 3.37Å; F100-F208 AromaticContact CE1-CD1 3.74Å; F100-F208 HydrophobicContact CE1-CD1 3.74Å; F100-F208 HydrophobicContact CE1-CD2 4.01Å; F100-F208 AromaticContact CE1-CE1 3.43Å; F100-F208 HydrophobicContact CE1-CE1 3.43Å; F100-F208 VanDerWaalsContact CE1-CE1 3.43Å; F100-F208 AromaticContact CE1-CE2 3.68Å; F100-F208 HydrophobicContact CE1-CE2 3.68Å; F100-F208 HydrophobicContact CE1-CG 4.03Å; F100-F208 AromaticContact CE1-CZ 3.39Å; F100-F208 HydrophobicContact CE1-CZ 3.39Å; F100-F208 HydrophobicContact CG-CE2 4.14Å; F100-F208 HydrophobicContact CG-CZ 4.31Å; F100-F208 HydrophobicContact CZ-CD1 4.16Å; F100-F208 HydrophobicContact CZ-CD2 4.18Å; F100-F208 HydrophobicContact CZ-CE1 4.29Å; F100-F208 HydrophobicContact CZ-CE2 4.25Å; F100-F208 HydrophobicContact CZ-CG 4.12Å; F100-F208 HydrophobicContact CZ-CZ 4.33Å |
| 101 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -58.4 | -40.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | W53 M98 T105 L129 Y133 | W53-A101 HydrophobicContact CE3-CB 4.23Å; W53-A101 HydrophobicContact CZ3-CB 4.42Å; M98-A101 VanDerWaalsContact O-CB 3.31Å; M98-A101 WeakPolarHBondContact O-CB 3.44Å; M98-A101 PolarHBondContact O-N 3.07Å; M98-A101 VanDerWaalsContact O-N 3.08Å; A101-T105 WeakPolarHBondContact O-CG2 3.5Å; A101-T105 PolarHBondContact O-N 2.92Å; A101-T105 PolarHBondContact O-OG1 3.43Å; A101-L129 HydrophobicContact CB-CD2 4.14Å; A101-Y133 VanDerWaalsContact CA-CZ 3.42Å; A101-Y133 HydrophobicContact CB-CD1 3.82Å; A101-Y133 HydrophobicContact CB-CE1 3.32Å; A101-Y133 PolarHBondContact N-OH 3.21Å; A101-Y133 VanDerWaalsContact N-OH 3.09Å |
| 102 | L | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -60.4 | -54.2 | 177.3 | -86.3 | 66.3 | 0 | 0 | 0 | 111.1 | F16 T45 M46 A49 M98 M99 F100 T105 A106 | F16-L102 HydrophobicContact CD2-CD2 4.21Å; T45-L102 PolarHBondContact OG1-O 3.43Å; T45-L102 VanDerWaalsContact OG1-O 3.05Å; M46-L102 HydrophobicContact CB-CD2 4.16Å; M46-L102 HydrophobicContact CG-CD2 4.29Å; A49-L102 HydrophobicContact CB-CD1 3.76Å; A49-L102 HydrophobicContact CB-CG 4.16Å; M98-L102 HydrophobicContact CG-CD1 3.95Å; M98-L102 WeakPolarHBondContact O-CD1 3.36Å; M98-L102 PolarHBondContact O-N 3.22Å; M99-L102 PolarHBondContact O-N 2.93Å; M99-L102 HydrophobicContact SD-CD2 4.38Å; F100-L102 VanDerWaalsContact C-N 3.28Å; F100-L102 PolarHBondContact O-N 3.48Å; L102-T105 PolarHBondContact O-OG1 3.03Å; L102-A106 WeakPolarHBondContact O-CB 3.08Å; L102-A106 PolarHBondContact O-N 2.85Å; L102-A106 VanDerWaalsContact O-N 3.13Å |
| 103 | I | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 7.8 Ų | 7.8 | 2% | 0.021 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -71.8 | -35.7 | -176.3 | -172 | 63.2 | 0 | 0 | 0 | 111.9 | M18 L22 M99 F100 T105 A106 I107 F208 | M18-I103 HydrophobicContact CB-CD1 4.02Å; M18-I103 HydrophobicContact CB-CG1 4.22Å; M18-I103 HydrophobicContact CE-CG1 4.49Å; L22-I103 HydrophobicContact CB-CD1 4Å; L22-I103 HydrophobicContact CD2-CD1 3.72Å; L22-I103 HydrophobicContact CG-CD1 4.45Å; M99-I103 PolarHBondContact O-N 3.2Å; F100-I103 VanDerWaalsContact O-CG2 3.3Å; F100-I103 WeakPolarHBondContact O-CG2 3.47Å; F100-I103 PolarHBondContact O-N 3.15Å; I103-T105 PolarHBondContact O-N 2.94Å; I103-A106 WeakPolarHBondContact O-CB 3.42Å; I103-A106 PolarHBondContact O-N 2.62Å; I103-I107 HydrophobicContact CG1-CD1 4.21Å; I103-I107 HydrophobicContact CG1-CG1 4.42Å; I103-I107 VanDerWaalsContact O-CG1 3.28Å; I103-I107 WeakPolarHBondContact O-CG1 3.25Å; I103-I107 PolarHBondContact O-N 3.02Å; I103-F208 HydrophobicContact CG2-CE2 3.83Å |
| 104 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -58.8 | -47.9 | 176 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | F100 A106 I107 W128 Y133 V160 S164 | F100-T104 WeakPolarHBondContact O-CB 3.46Å; F100-T104 PolarHBondContact O-N 3.02Å; F100-T104 PolarHBondContact O-OG1 3.3Å; T104-A106 VanDerWaalsContact C-N 3.28Å; T104-A106 PolarHBondContact O-N 2.78Å; T104-I107 PolarHBondContact O-N 3.22Å; T104-W128 HydrophobicContact CG2-CH2 3.67Å; T104-W128 HydrophobicContact CG2-CZ3 3.89Å; T104-Y133 HydrophobicContact CG2-CD2 3.65Å; T104-Y133 HydrophobicContact CG2-CE2 3.74Å; T104-Y133 VanDerWaalsContact OG1-CE2 3.24Å; T104-Y133 WeakPolarHBondContact OG1-CE2 3.48Å; T104-V160 HydrophobicContact CG2-CG1 4.49Å; T104-V160 WeakPolarHBondContact OG1-CB 3.22Å; T104-V160 WeakPolarHBondContact OG1-CG1 3.3Å; T104-V160 VanDerWaalsContact OG1-CG2 3.24Å; T104-V160 WeakPolarHBondContact OG1-CG2 3.36Å; T104-S164 VanDerWaalsContact O-CB 3.26Å; T104-S164 WeakPolarHBondContact O-CB 3.11Å |
| 105 | T | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -70.8 | -25.6 | 178.9 | 50.8 | 0 | 0 | 0 | 0 | 113 | T45 A101 L102 I103 L108 T109 I125 W128 L129 | T45-T105 WeakPolarHBondContact CB-OG1 3.36Å; A101-T105 WeakPolarHBondContact O-CG2 3.5Å; A101-T105 PolarHBondContact O-N 2.92Å; A101-T105 PolarHBondContact O-OG1 3.43Å; L102-T105 PolarHBondContact O-OG1 3.03Å; I103-T105 PolarHBondContact O-N 2.94Å; T105-L108 WeakPolarHBondContact O-CG 3.41Å; T105-T109 WeakPolarHBondContact O-CG2 3.46Å; T105-I125 HydrophobicContact CG2-CG2 3.77Å; T105-W128 HydrophobicContact CG2-CE3 3.92Å; T105-W128 HydrophobicContact CG2-CZ3 3.99Å; T105-L129 HydrophobicContact CG2-CD1 4.22Å; T105-L129 HydrophobicContact CG2-CD2 3.52Å; T105-L129 HydrophobicContact CG2-CG 3.65Å |
| 106 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 1.6 Ų | 1.6 | 0% | 0 | 1% | 0.008 | C | C | . | . | H | α-helix | trans | -71.9 | -39.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T19 L22 V42 T45 L102 I103 T104 L108 T109 | T19-A106 HydrophobicContact CG2-CB 4.05Å; L22-A106 HydrophobicContact CD2-CB 3.83Å; V42-A106 HydrophobicContact CB-CB 4.39Å; V42-A106 HydrophobicContact CG1-CB 3.85Å; V42-A106 HydrophobicContact CG2-CB 4.4Å; T45-A106 HydrophobicContact CG2-CB 4.35Å; L102-A106 WeakPolarHBondContact O-CB 3.08Å; L102-A106 PolarHBondContact O-N 2.85Å; L102-A106 VanDerWaalsContact O-N 3.13Å; I103-A106 WeakPolarHBondContact O-CB 3.42Å; I103-A106 PolarHBondContact O-N 2.62Å; T104-A106 VanDerWaalsContact C-N 3.28Å; T104-A106 PolarHBondContact O-N 2.78Å; A106-L108 PolarHBondContact O-N 3.38Å; A106-T109 WeakPolarHBondContact O-CB 3.37Å; A106-T109 PolarHBondContact O-N 2.93Å; A106-T109 PolarHBondContact O-OG1 3.43Å |
| 107 | I | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 4 Ų | 4 | 1% | 0.01 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -57.1 | -47.7 | -178.4 | -72.7 | 162.2 | 0 | 0 | 0 | 112 | L22 Y26 I103 T104 T109 G110 V160 S164 H311 | L22-I107 HydrophobicContact CD2-CG1 3.87Å; Y26-I107 PolarHBondContact OH-O 2.79Å; Y26-I107 VanDerWaalsContact OH-O 3.08Å; I103-I107 HydrophobicContact CG1-CD1 4.21Å; I103-I107 HydrophobicContact CG1-CG1 4.42Å; I103-I107 VanDerWaalsContact O-CG1 3.28Å; I103-I107 WeakPolarHBondContact O-CG1 3.25Å; I103-I107 PolarHBondContact O-N 3.02Å; T104-I107 PolarHBondContact O-N 3.22Å; I107-T109 PolarHBondContact O-N 3.28Å; I107-G110 PolarHBondContact O-N 2.93Å; I107-G110 VanDerWaalsContact O-N 3.07Å; I107-V160 HydrophobicContact CD1-CG1 3.83Å; I107-S164 WeakPolarHBondContact CG2-OG 3.24Å; I107-H311 HydrophobicContact CG2-CB 3.94Å; I107-H311 VanDerWaalsContact CG2-CD2 3.42Å; I107-H311 WeakPolarHBondContact CG2-CD2 3.41Å |
| 108 | L | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 2% | 0.023 | C | C | . | . | G | 310 helix | trans | -61.2 | -22.2 | -176.5 | 64.5 | 84.3 | 0 | 0 | 0 | 113.3 | T105 A106 G110 S111 I121 F124 I125 W128 S164 L171 | T105-L108 WeakPolarHBondContact O-CG 3.41Å; A106-L108 PolarHBondContact O-N 3.38Å; L108-G110 PolarHBondContact O-N 3.49Å; L108-S111 PolarHBondContact O-N 3.46Å; L108-I121 HydrophobicContact CD1-CD1 3.82Å; L108-F124 HydrophobicContact CD1-CD1 4.37Å; L108-F124 HydrophobicContact CD1-CE1 4.17Å; L108-F124 HydrophobicContact CD2-CE1 4.28Å; L108-I125 HydrophobicContact CD1-CG1 4.22Å; L108-W128 HydrophobicContact CD2-CD2 4.07Å; L108-W128 HydrophobicContact CD2-CE3 4.16Å; L108-W128 HydrophobicContact CD2-CZ2 4.41Å; L108-W128 HydrophobicContact CD2-CZ3 4.36Å; L108-S164 WeakPolarHBondContact CB-O 3.32Å; L108-L171 HydrophobicContact CD1-CD1 4.12Å |
| 109 | T | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.041 | C | C | . | . | G | 310 helix | trans | -67.4 | -23.5 | -179.9 | 71.4 | 0 | 0 | 0 | 0 | 112.3 | M41 V42 T105 A106 I107 S111 V112 A113 I121 I125 | M41-T109 HydrophobicContact CB-CG2 4.03Å; V42-T109 WeakPolarHBondContact CG2-OG1 3.41Å; T105-T109 WeakPolarHBondContact O-CG2 3.46Å; A106-T109 WeakPolarHBondContact O-CB 3.37Å; A106-T109 PolarHBondContact O-N 2.93Å; A106-T109 PolarHBondContact O-OG1 3.43Å; I107-T109 PolarHBondContact O-N 3.28Å; T109-S111 PolarHBondContact O-N 2.88Å; T109-V112 VanDerWaalsContact O-CG2 3.24Å; T109-V112 WeakPolarHBondContact O-CG2 3.22Å; T109-V112 PolarHBondContact O-N 3.43Å; T109-V112 VanDerWaalsContact O-N 3.17Å; T109-A113 PolarHBondContact O-N 3.18Å; T109-I121 HydrophobicContact CG2-CG1 4.3Å; T109-I125 HydrophobicContact CG2-CD1 3.93Å |
| 110 | G | 98.2 | Very high | 98.3 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.041 | C | C | . | . | G | 310 helix | trans | -61 | -30.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y26 I107 L108 V112 A304 L305 | Y26-G110 VanDerWaalsContact CE2-CA 3.44Å; I107-G110 PolarHBondContact O-N 2.93Å; I107-G110 VanDerWaalsContact O-N 3.07Å; L108-G110 PolarHBondContact O-N 3.49Å; G110-V112 VanDerWaalsContact C-N 3.33Å; G110-V112 PolarHBondContact O-N 3.38Å; G110-A304 WeakPolarHBondContact O-CB 2.99Å; G110-L305 WeakPolarHBondContact O-CB 3.47Å; G110-L305 WeakPolarHBondContact O-CG 3.3Å; G110-L305 PolarHBondContact O-N 3.45Å |
| 111 | S | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.041 | C | C | . | . | G | 310 helix | trans | -72.3 | -25.5 | 179.2 | -65.9 | 0 | 0 | 0 | 0 | 114 | L108 T109 R115 G168 D303 A304 | L108-S111 PolarHBondContact O-N 3.46Å; T109-S111 PolarHBondContact O-N 2.88Å; S111-R115 PolarHBondContact O-NH1 3.39Å; S111-R115 PolarHBondContact O-NH2 3.43Å; S111-G168 WeakPolarHBondContact CB-O 3.42Å; S111-G168 VanDerWaalsContact OG-C 3.31Å; S111-G168 WeakPolarHBondContact OG-CA 3.29Å; S111-D303 VanDerWaalsContact CA-OD1 3.24Å; S111-D303 WeakPolarHBondContact CA-OD1 3.49Å; S111-D303 VanDerWaalsContact CB-OD1 3.22Å; S111-D303 WeakPolarHBondContact CB-OD1 3.37Å; S111-D303 PolarHBondContact OG-OD1 3.49Å; S111-A304 WeakPolarHBondContact O-CB 3.4Å; S111-A304 PolarHBondContact O-N 2.63Å; S111-A304 VanDerWaalsContact O-N 3.12Å |
| 112 | V | 98.2 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -1 | -169.9 | -55.4 | 0 | 0 | 0 | 0 | 113.8 | M41 T109 G110 R115 M116 I121 L171 L175 | M41-V112 HydrophobicContact CE-CG2 4.44Å; M41-V112 HydrophobicContact SD-CG2 4.15Å; T109-V112 VanDerWaalsContact O-CG2 3.24Å; T109-V112 WeakPolarHBondContact O-CG2 3.22Å; T109-V112 PolarHBondContact O-N 3.43Å; T109-V112 VanDerWaalsContact O-N 3.17Å; G110-V112 VanDerWaalsContact C-N 3.33Å; G110-V112 PolarHBondContact O-N 3.38Å; V112-R115 PolarHBondContact O-N 3.33Å; V112-M116 HydrophobicContact CB-CB 3.91Å; V112-M116 HydrophobicContact CB-CG 4.47Å; V112-M116 HydrophobicContact CB-SD 3.72Å; V112-M116 HydrophobicContact CG1-SD 3.81Å; V112-M116 HydrophobicContact CG2-CB 4.09Å; V112-M116 HydrophobicContact CG2-SD 3.7Å; V112-M116 PolarHBondContact O-N 2.94Å; V112-I121 HydrophobicContact CG2-CD1 4.33Å; V112-L171 HydrophobicContact CG1-CB 3.4Å; V112-L171 VanDerWaalsContact CG1-CB 3.4Å; V112-L171 HydrophobicContact CG1-CD1 3.82Å; V112-L171 HydrophobicContact CG1-CG 4.26Å; V112-L175 HydrophobicContact CB-CD1 3.72Å; V112-L175 HydrophobicContact CG1-CD1 3.64Å |
| 113 | A | 96.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 140.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T38 M41 T109 R115 A304 L305 | T38-A113 HydrophobicContact CG2-CB 4.38Å; M41-A113 HydrophobicContact CE-CB 4.43Å; T109-A113 PolarHBondContact O-N 3.18Å; A113-R115 PolarHBondContact O-N 3.04Å; A113-R115 PolarHBondContact O-NH1 3.3Å; A113-A304 HydrophobicContact CB-CB 3.98Å; A113-L305 HydrophobicContact CB-CD1 3.93Å; A113-L305 HydrophobicContact CB-CG 4.02Å |
| 114 | G | 95.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 6.6 | 175 | 0 | 0 | 0 | 0 | 0 | 116.9 | N34 L386 | N34-G114 WeakPolarHBondContact ND2-CA 3.3Å; G114-L386 WeakPolarHBondContact O-CD1 3.41Å |
| 115 | R | 97.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -152.1 | -13.1 | 175.7 | 73.2 | -145.1 | -172.1 | -102.6 | 6.6 | 118 | S111 V112 A113 A172 L175 G176 R178 D302 R376 V377 | S111-R115 PolarHBondContact O-NH1 3.39Å; S111-R115 PolarHBondContact O-NH2 3.43Å; V112-R115 PolarHBondContact O-N 3.33Å; A113-R115 PolarHBondContact O-N 3.04Å; A113-R115 PolarHBondContact O-NH1 3.3Å; R115-A172 VanDerWaalsContact NH2-CA 3.33Å; R115-A172 PolarHBondContact NH2-O 2.83Å; R115-L175 HydrophobicContact CG-CD1 4.34Å; R115-G176 PolarHBondContact NE-O 3.43Å; R115-R178 HydrophobicContact CB-CG 4.38Å; R115-R178 VanDerWaalsContact CD-CG 3.41Å; R115-R178 HydrophobicContact CG-CG 4.48Å; R115-D302 PolarHBondContact NH1-O 2.92Å; R115-D302 PolarHBondContact NH2-O 3.28Å; R115-R376 HydrophobicContact CB-CG 4.42Å; R115-R376 WeakPolarHBondContact O-CA 3.19Å; R115-R376 VanDerWaalsContact O-CG 3.27Å; R115-R376 WeakPolarHBondContact O-CG 3.36Å; R115-V377 PolarHBondContact O-N 3.2Å |
| 116 | M | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.083 | C | C | . | . | B | Isolated β-bridge | trans | -84.6 | 140.8 | 179.2 | -167.7 | 164.2 | -175.5 | 0 | 0 | 111.1 | V112 A120 I121 L171 L175 I366 I375 L386 | V112-M116 HydrophobicContact CB-CB 3.91Å; V112-M116 HydrophobicContact CB-CG 4.47Å; V112-M116 HydrophobicContact CB-SD 3.72Å; V112-M116 HydrophobicContact CG1-SD 3.81Å; V112-M116 HydrophobicContact CG2-CB 4.09Å; V112-M116 HydrophobicContact CG2-SD 3.7Å; V112-M116 PolarHBondContact O-N 2.94Å; M116-A120 HydrophobicContact CE-CB 4.22Å; M116-I121 HydrophobicContact CE-CB 3.79Å; M116-I121 HydrophobicContact CE-CD1 3.97Å; M116-I121 HydrophobicContact CE-CG1 4.47Å; M116-I121 HydrophobicContact CG-CB 4.17Å; M116-I121 HydrophobicContact SD-CB 3.73Å; M116-I121 HydrophobicContact SD-CD1 3.82Å; M116-I121 HydrophobicContact SD-CG1 4.16Å; M116-L171 HydrophobicContact CE-CD2 4.32Å; M116-L175 HydrophobicContact CB-CD1 3.84Å; M116-L175 HydrophobicContact CB-CD2 4.4Å; M116-L175 HydrophobicContact CG-CD1 4.04Å; M116-L175 HydrophobicContact CG-CD2 4.22Å; M116-L175 HydrophobicContact SD-CD1 3.88Å; M116-I366 HydrophobicContact CE-CD1 3.8Å; M116-I375 WeakPolarHBondContact CG-O 3.32Å; M116-L386 VanDerWaalsContact O-CD2 3.3Å; M116-L386 WeakPolarHBondContact O-CD2 3.4Å |
| 117 | R | 98.6 | Very high | 98.3 | Very high | 51 Ų | 51 | 18.4 Ų | 18.4 | 19% | 0.192 | 10% | 0.096 | C | C | . | . | trans | -65.1 | 135.1 | 170.6 | -72.4 | -69.5 | -169.2 | -179.3 | 1.8 | 109.8 | S119 A120 I121 P374 I375 V377 E381 E390 | R117-S119 VanDerWaalsContact C-N 3.34Å; R117-S119 PolarHBondContact O-N 3.04Å; R117-A120 HydrophobicContact CB-CB 4.03Å; R117-A120 PolarHBondContact O-N 2.93Å; R117-I121 PolarHBondContact O-N 3.27Å; R117-I121 VanDerWaalsContact O-N 3.15Å; R117-P374 WeakPolarHBondContact CG-O 3.44Å; R117-I375 PolarHBondContact N-O 2.82Å; R117-V377 HydrophobicContact CG-CG1 4.37Å; R117-E381 IonicContact CZ-OE1 3.31Å; R117-E381 VanDerWaalsContact CZ-OE1 3.31Å; R117-E381 IonicContact CZ-OE2 3.63Å; R117-E381 IonicContact NH1-OE1 3.09Å; R117-E381 PolarHBondContact NH1-OE1 2.78Å; R117-E381 VanDerWaalsContact NH1-OE1 3.09Å; R117-E381 IonicContact NH2-OE1 2.72Å; R117-E381 PolarHBondContact NH2-OE1 3.45Å; R117-E381 IonicContact NH2-OE2 2.89Å; R117-E381 PolarHBondContact NH2-OE2 2.89Å; R117-E390 WeakPolarHBondContact CD-OE1 3.38Å; R117-E390 IonicContact CZ-OE1 3.64Å; R117-E390 IonicContact NE-OE1 3.74Å; R117-E390 IonicContact NH1-OE1 2.78Å; R117-E390 PolarHBondContact NH1-OE1 3.34Å | ||
| 118 | F | 98.6 | Very high | 98.3 | Very high | 41 Ų | 41 | 18.3 Ų | 18.3 | 18% | 0.18 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.8 | -43 | -178.2 | 178.8 | -102.9 | 0 | 0 | 0 | 111.8 | M40 M41 C44 A120 I121 F122 E390 H391 | M40-F118 HydrophobicContact CB-CE2 4.3Å; M40-F118 HydrophobicContact CG-CD2 4.19Å; M40-F118 HydrophobicContact CG-CE2 3.51Å; M40-F118 HydrophobicContact CG-CZ 3.74Å; M41-F118 HydrophobicContact CG-CD2 4.01Å; M41-F118 HydrophobicContact CG-CE2 4.39Å; C44-F118 HydrophobicContact CB-CE2 4.37Å; C44-F118 HydrophobicContact CB-CZ 4.01Å; F118-A120 VanDerWaalsContact C-N 3.3Å; F118-A120 PolarHBondContact O-N 3.25Å; F118-I121 HydrophobicContact CD2-CG2 4.38Å; F118-I121 WeakPolarHBondContact O-CG2 3.24Å; F118-I121 PolarHBondContact O-N 3.41Å; F118-F122 HydrophobicContact CE1-CD2 4.39Å; F118-F122 HydrophobicContact CZ-CD2 4.19Å; F118-F122 WeakPolarHBondContact O-CB 3.22Å; F118-F122 PolarHBondContact O-N 3.12Å; F118-E390 HydrophobicContact CB-CB 4.21Å; F118-E390 HydrophobicContact CB-CG 4.32Å; F118-E390 WeakPolarHBondContact CB-OE2 3.46Å; F118-E390 PolarHBondContact N-OE2 3.03Å; F118-H391 AromaticContact CD2-CE1 3.97Å; F118-H391 AromaticContact CG-CE1 3.81Å |
| 119 | S | 98.2 | Very high | 98.3 | Very high | 63 Ų | 63 | 18.3 Ų | 18.3 | 44% | 0.441 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -61.4 | -37.5 | 177.6 | 53.9 | 0 | 0 | 0 | 0 | 112.8 | R117 L123 M373 | R117-S119 VanDerWaalsContact C-N 3.34Å; R117-S119 PolarHBondContact O-N 3.04Å; S119-L123 WeakPolarHBondContact O-CB 3.31Å; S119-L123 PolarHBondContact O-N 3.42Å; S119-L123 VanDerWaalsContact O-N 3.1Å; S119-M373 WeakPolarHBondContact OG-CE 3.4Å |
| 120 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69 | -43 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | M116 R117 F118 F124 I369 M373 I375 | M116-A120 HydrophobicContact CE-CB 4.22Å; R117-A120 HydrophobicContact CB-CB 4.03Å; R117-A120 PolarHBondContact O-N 2.93Å; F118-A120 VanDerWaalsContact C-N 3.3Å; F118-A120 PolarHBondContact O-N 3.25Å; A120-F124 VanDerWaalsContact O-CB 3.3Å; A120-F124 WeakPolarHBondContact O-CB 3.44Å; A120-F124 PolarHBondContact O-N 3.33Å; A120-I369 HydrophobicContact CB-CG2 4.34Å; A120-M373 HydrophobicContact CB-CE 4.02Å; A120-M373 HydrophobicContact CB-SD 4.4Å; A120-I375 HydrophobicContact CB-CB 4.27Å; A120-I375 HydrophobicContact CB-CG2 4.12Å |
| 121 | I | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.9 | -36.6 | 178 | -174.7 | 59.5 | 0 | 0 | 0 | 111.5 | M41 L108 T109 V112 M116 R117 F118 F124 I125 L171 | M41-I121 HydrophobicContact CG-CG2 3.92Å; M41-I121 HydrophobicContact SD-CG1 4.4Å; M41-I121 HydrophobicContact SD-CG2 3.86Å; L108-I121 HydrophobicContact CD1-CD1 3.82Å; T109-I121 HydrophobicContact CG2-CG1 4.3Å; V112-I121 HydrophobicContact CG2-CD1 4.33Å; M116-I121 HydrophobicContact CE-CB 3.79Å; M116-I121 HydrophobicContact CE-CD1 3.97Å; M116-I121 HydrophobicContact CE-CG1 4.47Å; M116-I121 HydrophobicContact CG-CB 4.17Å; M116-I121 HydrophobicContact SD-CB 3.73Å; M116-I121 HydrophobicContact SD-CD1 3.82Å; M116-I121 HydrophobicContact SD-CG1 4.16Å; R117-I121 PolarHBondContact O-N 3.27Å; R117-I121 VanDerWaalsContact O-N 3.15Å; F118-I121 HydrophobicContact CD2-CG2 4.38Å; F118-I121 WeakPolarHBondContact O-CG2 3.24Å; F118-I121 PolarHBondContact O-N 3.41Å; I121-F124 HydrophobicContact CD1-CB 4.47Å; I121-F124 HydrophobicContact CD1-CD1 4.09Å; I121-F124 PolarHBondContact O-N 2.99Å; I121-I125 HydrophobicContact CD1-CD1 4.15Å; I121-I125 HydrophobicContact CD1-CG1 4.14Å; I121-I125 HydrophobicContact CG1-CD1 3.9Å; I121-I125 HydrophobicContact CG1-CG1 4.34Å; I121-I125 WeakPolarHBondContact O-CB 3.47Å; I121-I125 VanDerWaalsContact O-CG1 3.32Å; I121-I125 WeakPolarHBondContact O-CG1 3.24Å; I121-I125 PolarHBondContact O-N 3.25Å; I121-L171 HydrophobicContact CD1-CD1 4.06Å |
| 122 | F | 98.7 | Very high | 98.4 | Very high | 83 Ų | 83 | 24.7 Ų | 24.7 | 36% | 0.364 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -60.4 | -48.3 | 175.2 | -172.7 | -85 | 0 | 0 | 0 | 111.4 | C44 L48 F118 I125 A126 | C44-F122 HydrophobicContact CB-CD2 4.45Å; C44-F122 HydrophobicContact CB-CE2 4.47Å; L48-F122 HydrophobicContact CB-CE2 4.24Å; L48-F122 HydrophobicContact CB-CZ 4.35Å; L48-F122 HydrophobicContact CD1-CE1 4.03Å; L48-F122 HydrophobicContact CD1-CE2 4.43Å; L48-F122 HydrophobicContact CD1-CZ 3.77Å; L48-F122 HydrophobicContact CD2-CD1 4.34Å; L48-F122 HydrophobicContact CD2-CD2 4.09Å; L48-F122 HydrophobicContact CD2-CE1 4.18Å; L48-F122 HydrophobicContact CD2-CE2 3.92Å; L48-F122 HydrophobicContact CD2-CG 4.31Å; L48-F122 HydrophobicContact CD2-CZ 3.97Å; L48-F122 HydrophobicContact CG-CE2 4.43Å; L48-F122 HydrophobicContact CG-CZ 4.25Å; F118-F122 HydrophobicContact CE1-CD2 4.39Å; F118-F122 HydrophobicContact CZ-CD2 4.19Å; F118-F122 WeakPolarHBondContact O-CB 3.22Å; F118-F122 PolarHBondContact O-N 3.12Å; F122-I125 PolarHBondContact O-N 3.12Å; F122-A126 PolarHBondContact O-N 3.39Å; F122-A126 VanDerWaalsContact O-N 3.11Å |
| 123 | L | 98.7 | Very high | 98.4 | Very high | 75 Ų | 75 | 24.7 Ų | 24.7 | 39% | 0.393 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -65 | -40.7 | 175.9 | -178 | 59.7 | 0 | 0 | 0 | 111.9 | S119 I125 A126 I127 I369 M373 | S119-L123 WeakPolarHBondContact O-CB 3.31Å; S119-L123 PolarHBondContact O-N 3.42Å; S119-L123 VanDerWaalsContact O-N 3.1Å; L123-I125 PolarHBondContact O-N 3.37Å; L123-A126 PolarHBondContact O-N 2.68Å; L123-I127 HydrophobicContact CD1-CD1 4.03Å; L123-I127 HydrophobicContact CD1-CG1 4.34Å; L123-I127 HydrophobicContact CG-CD1 4.08Å; L123-I127 WeakPolarHBondContact O-CG1 3.48Å; L123-I127 PolarHBondContact O-N 3.03Å; L123-I127 VanDerWaalsContact O-N 3.14Å; L123-I369 HydrophobicContact CB-CD1 4.33Å; L123-I369 HydrophobicContact CD2-CD1 4.35Å; L123-I369 HydrophobicContact CD2-CG1 4.03Å; L123-I369 HydrophobicContact CD2-CG2 4.38Å; L123-I369 HydrophobicContact CG-CD1 4.03Å; L123-I369 HydrophobicContact CG-CG1 4.22Å; L123-M373 HydrophobicContact CD2-SD 4.09Å |
| 124 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.2 | -50.2 | 175.3 | 177.1 | -88.7 | 0 | 0 | 0 | 111.1 | L108 A120 I121 A126 I127 W128 L171 I365 I366 I369 | L108-F124 HydrophobicContact CD1-CD1 4.37Å; L108-F124 HydrophobicContact CD1-CE1 4.17Å; L108-F124 HydrophobicContact CD2-CE1 4.28Å; A120-F124 VanDerWaalsContact O-CB 3.3Å; A120-F124 WeakPolarHBondContact O-CB 3.44Å; A120-F124 PolarHBondContact O-N 3.33Å; I121-F124 HydrophobicContact CD1-CB 4.47Å; I121-F124 HydrophobicContact CD1-CD1 4.09Å; I121-F124 PolarHBondContact O-N 2.99Å; F124-A126 VanDerWaalsContact C-N 3.34Å; F124-A126 PolarHBondContact O-N 3.34Å; F124-I127 PolarHBondContact O-N 2.83Å; F124-W128 HydrophobicContact CD1-CB 4.21Å; F124-W128 HydrophobicContact CE1-CB 3.91Å; F124-W128 AromaticContact CE1-CD1 3.59Å; F124-W128 AromaticContact CE1-CG 3.83Å; F124-W128 HydrophobicContact CE1-CG 3.83Å; F124-W128 HydrophobicContact CZ-CB 4.3Å; F124-W128 AromaticContact CZ-CD1 3.42Å; F124-W128 VanDerWaalsContact CZ-CD1 3.42Å; F124-W128 HydrophobicContact CZ-CG 4.09Å; F124-W128 WeakPolarHBondContact O-CB 3.2Å; F124-W128 PolarHBondContact O-N 3.26Å; F124-L171 HydrophobicContact CD1-CD1 3.95Å; F124-L171 HydrophobicContact CD2-CD2 3.86Å; F124-L171 HydrophobicContact CE1-CD1 3.68Å; F124-L171 HydrophobicContact CE1-CD2 4.38Å; F124-L171 HydrophobicContact CE1-CG 4.3Å; F124-L171 HydrophobicContact CE2-CD1 4.44Å; F124-L171 HydrophobicContact CE2-CD2 3.65Å; F124-L171 HydrophobicContact CE2-CG 4.28Å; F124-L171 HydrophobicContact CG-CD1 4.45Å; F124-L171 HydrophobicContact CG-CD2 4.32Å; F124-L171 HydrophobicContact CZ-CD1 3.94Å; F124-L171 HydrophobicContact CZ-CD2 3.93Å; F124-L171 HydrophobicContact CZ-CG 4.04Å; F124-I365 HydrophobicContact CD2-CB 4.18Å; F124-I365 HydrophobicContact CD2-CG2 3.56Å; F124-I365 HydrophobicContact CE2-CB 4Å; F124-I365 HydrophobicContact CE2-CG2 3.88Å; F124-I365 HydrophobicContact CG-CG2 4.38Å; F124-I366 HydrophobicContact CD2-CB 4.11Å; F124-I366 HydrophobicContact CD2-CD1 4.23Å; F124-I366 HydrophobicContact CE2-CB 4.13Å; F124-I369 VanDerWaalsContact CA-CD1 3.44Å; F124-I369 HydrophobicContact CB-CD1 3.74Å; F124-I369 HydrophobicContact CD2-CD1 4.32Å |
| 125 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61 | -42.4 | -179.7 | -71.9 | 169.6 | 0 | 0 | 0 | 111.3 | T45 L48 T105 L108 T109 I121 F122 L123 I127 W128 L129 | T45-I125 HydrophobicContact CG2-CD1 3.94Å; L48-I125 HydrophobicContact CD2-CB 4.17Å; L48-I125 HydrophobicContact CD2-CG2 3.78Å; T105-I125 HydrophobicContact CG2-CG2 3.77Å; L108-I125 HydrophobicContact CD1-CG1 4.22Å; T109-I125 HydrophobicContact CG2-CD1 3.93Å; I121-I125 HydrophobicContact CD1-CD1 4.15Å; I121-I125 HydrophobicContact CD1-CG1 4.14Å; I121-I125 HydrophobicContact CG1-CD1 3.9Å; I121-I125 HydrophobicContact CG1-CG1 4.34Å; I121-I125 WeakPolarHBondContact O-CB 3.47Å; I121-I125 VanDerWaalsContact O-CG1 3.32Å; I121-I125 WeakPolarHBondContact O-CG1 3.24Å; I121-I125 PolarHBondContact O-N 3.25Å; F122-I125 PolarHBondContact O-N 3.12Å; L123-I125 PolarHBondContact O-N 3.37Å; I125-I127 VanDerWaalsContact C-N 3.35Å; I125-I127 PolarHBondContact O-N 3.4Å; I125-W128 PolarHBondContact O-N 3.41Å; I125-L129 HydrophobicContact CG2-CD1 4.13Å; I125-L129 WeakPolarHBondContact O-CB 3.24Å; I125-L129 WeakPolarHBondContact O-CG 3.4Å; I125-L129 PolarHBondContact O-N 2.95Å |
| 126 | A | 98.9 | Very high | 98.7 | Very high | 19 Ų | 19 | 25.1 Ų | 25.1 | 16% | 0.157 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59 | -45.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L48 I52 F122 L123 F124 | L48-A126 HydrophobicContact CD1-CB 4.24Å; L48-A126 HydrophobicContact CD2-CB 4.2Å; I52-A126 HydrophobicContact CD1-CB 3.94Å; F122-A126 PolarHBondContact O-N 3.39Å; F122-A126 VanDerWaalsContact O-N 3.11Å; L123-A126 PolarHBondContact O-N 2.68Å; F124-A126 VanDerWaalsContact C-N 3.34Å; F124-A126 PolarHBondContact O-N 3.34Å |
| 127 | I | 98.9 | Very high | 98.8 | Very high | 50 Ų | 50 | 25.1 Ų | 25.1 | 26% | 0.256 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -73.1 | -41.4 | 178.1 | -60.6 | 171.4 | 0 | 0 | 0 | 110.6 | L123 F124 I125 L129 I130 V131 I365 I369 | L123-I127 HydrophobicContact CD1-CD1 4.03Å; L123-I127 HydrophobicContact CD1-CG1 4.34Å; L123-I127 HydrophobicContact CG-CD1 4.08Å; L123-I127 WeakPolarHBondContact O-CG1 3.48Å; L123-I127 PolarHBondContact O-N 3.03Å; L123-I127 VanDerWaalsContact O-N 3.14Å; F124-I127 PolarHBondContact O-N 2.83Å; I125-I127 VanDerWaalsContact C-N 3.35Å; I125-I127 PolarHBondContact O-N 3.4Å; I127-L129 VanDerWaalsContact C-N 3.32Å; I127-L129 PolarHBondContact O-N 3.3Å; I127-I130 PolarHBondContact O-N 3.07Å; I127-I130 VanDerWaalsContact O-N 3.1Å; I127-V131 HydrophobicContact CG2-CG2 3.9Å; I127-V131 WeakPolarHBondContact O-CG2 3.25Å; I127-V131 PolarHBondContact O-N 2.64Å; I127-I365 HydrophobicContact CB-CG2 3.92Å; I127-I365 HydrophobicContact CD1-CG2 4.41Å; I127-I365 HydrophobicContact CG2-CB 4.46Å; I127-I365 HydrophobicContact CG2-CD1 4.04Å; I127-I365 HydrophobicContact CG2-CG1 3.83Å; I127-I365 HydrophobicContact CG2-CG2 3.79Å; I127-I369 HydrophobicContact CD1-CD1 4.34Å; I127-I369 HydrophobicContact CD1-CG1 4.41Å |
| 128 | W | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.2 | -36.3 | -178 | -171.7 | 94.8 | 0 | 0 | 0 | 112.5 | T104 T105 L108 F124 I125 I130 V132 Y133 S167 S362 I365 | T104-W128 HydrophobicContact CG2-CH2 3.67Å; T104-W128 HydrophobicContact CG2-CZ3 3.89Å; T105-W128 HydrophobicContact CG2-CE3 3.92Å; T105-W128 HydrophobicContact CG2-CZ3 3.99Å; L108-W128 HydrophobicContact CD2-CD2 4.07Å; L108-W128 HydrophobicContact CD2-CE3 4.16Å; L108-W128 HydrophobicContact CD2-CZ2 4.41Å; L108-W128 HydrophobicContact CD2-CZ3 4.36Å; F124-W128 HydrophobicContact CD1-CB 4.21Å; F124-W128 HydrophobicContact CE1-CB 3.91Å; F124-W128 AromaticContact CE1-CD1 3.59Å; F124-W128 AromaticContact CE1-CG 3.83Å; F124-W128 HydrophobicContact CE1-CG 3.83Å; F124-W128 HydrophobicContact CZ-CB 4.3Å; F124-W128 AromaticContact CZ-CD1 3.42Å; F124-W128 VanDerWaalsContact CZ-CD1 3.42Å; F124-W128 HydrophobicContact CZ-CG 4.09Å; F124-W128 WeakPolarHBondContact O-CB 3.2Å; F124-W128 PolarHBondContact O-N 3.26Å; I125-W128 PolarHBondContact O-N 3.41Å; W128-I130 VanDerWaalsContact C-N 3.31Å; W128-I130 PolarHBondContact O-N 3.04Å; W128-V132 HydrophobicContact CD2-CB 3.87Å; W128-V132 HydrophobicContact CD2-CG1 4.33Å; W128-V132 HydrophobicContact CD2-CG2 4.38Å; W128-V132 HydrophobicContact CG-CB 4.08Å; W128-V132 HydrophobicContact CG-CG2 4.08Å; W128-V132 HydrophobicContact CH2-CG1 4.27Å; W128-V132 HydrophobicContact CZ2-CB 3.99Å; W128-V132 HydrophobicContact CZ2-CG1 3.51Å; W128-V132 WeakPolarHBondContact O-CA 3.32Å; W128-V132 VanDerWaalsContact O-CB 3.3Å; W128-V132 WeakPolarHBondContact O-CB 3.39Å; W128-V132 PolarHBondContact O-N 3.04Å; W128-Y133 HydrophobicContact CH2-CD2 4.21Å; W128-Y133 AromaticContact CZ3-CD2 3.92Å; W128-Y133 HydrophobicContact CZ3-CD2 3.92Å; W128-Y133 HydrophobicContact CZ3-CG 4.11Å; W128-Y133 PolarHBondContact O-N 3.19Å; W128-S167 WeakPolarHBondContact CZ2-OG 3.21Å; W128-S167 PolarHBondContact NE1-OG 3.15Å; W128-S362 PolarHBondContact NE1-OG 3.32Å; W128-I365 HydrophobicContact CB-CD1 4.28Å |
| 129 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | I | π-helix | trans | -54.9 | -48.6 | 171.2 | -83.1 | 164.4 | 0 | 0 | 0 | 111.6 | A49 I52 A101 T105 I125 I127 Y133 F134 | A49-L129 HydrophobicContact CB-CD1 3.84Å; A49-L129 HydrophobicContact CB-CD2 4.3Å; I52-L129 HydrophobicContact CB-CD1 4.43Å; I52-L129 HydrophobicContact CD1-CD1 3.91Å; I52-L129 HydrophobicContact CG2-CB 4.46Å; A101-L129 HydrophobicContact CB-CD2 4.14Å; T105-L129 HydrophobicContact CG2-CD1 4.22Å; T105-L129 HydrophobicContact CG2-CD2 3.52Å; T105-L129 HydrophobicContact CG2-CG 3.65Å; I125-L129 HydrophobicContact CG2-CD1 4.13Å; I125-L129 WeakPolarHBondContact O-CB 3.24Å; I125-L129 WeakPolarHBondContact O-CG 3.4Å; I125-L129 PolarHBondContact O-N 2.95Å; I127-L129 VanDerWaalsContact C-N 3.32Å; I127-L129 PolarHBondContact O-N 3.3Å; L129-Y133 HydrophobicContact CD2-CD1 4.13Å; L129-Y133 HydrophobicContact CD2-CG 4.22Å; L129-Y133 PolarHBondContact O-N 3.33Å; L129-F134 HydrophobicContact CB-CE1 4.37Å; L129-F134 HydrophobicContact CB-CE2 3.99Å; L129-F134 HydrophobicContact CB-CZ 3.72Å; L129-F134 HydrophobicContact CD2-CE1 3.95Å; L129-F134 HydrophobicContact CD2-CZ 3.98Å; L129-F134 HydrophobicContact CG-CZ 4.36Å; L129-F134 WeakPolarHBondContact O-CD2 3.41Å; L129-F134 WeakPolarHBondContact O-CE2 3.29Å; L129-F134 WeakPolarHBondContact O-CG 3.21Å; L129-F134 PolarHBondContact O-N 3.08Å |
| 130 | I | 98.8 | Very high | 98.8 | Very high | 71 Ų | 71 | 18.1 Ų | 18.1 | 36% | 0.364 | 10% | 0.097 | S | C | . | . | I | π-helix | trans | -72.1 | -43.6 | -176 | -60.3 | 169.5 | 0 | 0 | 0 | 111.8 | I52 L60 I127 W128 F134 P135 | I52-I130 HydrophobicContact CG2-CG1 4.16Å; L60-I130 HydrophobicContact CD1-CG2 4.27Å; I127-I130 PolarHBondContact O-N 3.07Å; I127-I130 VanDerWaalsContact O-N 3.1Å; W128-I130 VanDerWaalsContact C-N 3.31Å; W128-I130 PolarHBondContact O-N 3.04Å; I130-F134 HydrophobicContact CG1-CD2 4.48Å; I130-F134 HydrophobicContact CG1-CE2 4.07Å; I130-P135 VanDerWaalsContact O-CD 3.25Å; I130-P135 WeakPolarHBondContact O-CD 3.31Å |
| 131 | V | 98.8 | Very high | 98.8 | Very high | 64 Ų | 64 | 20.7 Ų | 20.7 | 39% | 0.388 | 11% | 0.107 | S | C | . | . | I | π-helix | trans | -91 | -24.8 | -169.6 | 177.5 | 0 | 0 | 0 | 0 | 112.7 | I127 F357 A361 I365 | I127-V131 HydrophobicContact CG2-CG2 3.9Å; I127-V131 WeakPolarHBondContact O-CG2 3.25Å; I127-V131 PolarHBondContact O-N 2.64Å; V131-F357 WeakPolarHBondContact O-CZ 3.48Å; V131-A361 HydrophobicContact CG1-CB 4.3Å; V131-I365 HydrophobicContact CB-CD1 4.05Å; V131-I365 HydrophobicContact CG1-CD1 4.16Å |
| 132 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | I | π-helix | trans | -120 | -58.8 | -175.1 | -173.4 | 0 | 0 | 0 | 0 | 111.4 | W128 P135 M136 F357 A358 A361 I365 | W128-V132 HydrophobicContact CD2-CB 3.87Å; W128-V132 HydrophobicContact CD2-CG1 4.33Å; W128-V132 HydrophobicContact CD2-CG2 4.38Å; W128-V132 HydrophobicContact CG-CB 4.08Å; W128-V132 HydrophobicContact CG-CG2 4.08Å; W128-V132 HydrophobicContact CH2-CG1 4.27Å; W128-V132 HydrophobicContact CZ2-CB 3.99Å; W128-V132 HydrophobicContact CZ2-CG1 3.51Å; W128-V132 WeakPolarHBondContact O-CA 3.32Å; W128-V132 VanDerWaalsContact O-CB 3.3Å; W128-V132 WeakPolarHBondContact O-CB 3.39Å; W128-V132 PolarHBondContact O-N 3.04Å; V132-P135 WeakPolarHBondContact O-CD 3.46Å; V132-M136 HydrophobicContact CG1-CG 4.29Å; V132-M136 VanDerWaalsContact O-CB 3.3Å; V132-M136 WeakPolarHBondContact O-CB 3.33Å; V132-M136 VanDerWaalsContact O-CG 3.22Å; V132-M136 WeakPolarHBondContact O-CG 3.33Å; V132-M136 PolarHBondContact O-N 2.95Å; V132-F357 HydrophobicContact CG1-CE1 4.19Å; V132-A358 HydrophobicContact CG1-CB 3.7Å; V132-A361 HydrophobicContact CG2-CB 3.54Å; V132-I365 HydrophobicContact CG2-CD1 4.11Å |
| 133 | Y | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.113 | C | C | . | . | I | π-helix | trans | -63.9 | -53.4 | -170.8 | -172.5 | -99.5 | 0 | 0 | 0 | 113 | W53 F100 A101 T104 W128 L129 M136 A137 V159 | W53-Y133 HydrophobicContact CZ3-CE1 4.09Å; F100-Y133 VanDerWaalsContact C-OH 3.29Å; F100-Y133 WeakPolarHBondContact CB-OH 3.47Å; A101-Y133 VanDerWaalsContact CA-CZ 3.42Å; A101-Y133 HydrophobicContact CB-CD1 3.82Å; A101-Y133 HydrophobicContact CB-CE1 3.32Å; A101-Y133 PolarHBondContact N-OH 3.21Å; A101-Y133 VanDerWaalsContact N-OH 3.09Å; T104-Y133 HydrophobicContact CG2-CD2 3.65Å; T104-Y133 HydrophobicContact CG2-CE2 3.74Å; T104-Y133 VanDerWaalsContact OG1-CE2 3.24Å; T104-Y133 WeakPolarHBondContact OG1-CE2 3.48Å; W128-Y133 HydrophobicContact CH2-CD2 4.21Å; W128-Y133 AromaticContact CZ3-CD2 3.92Å; W128-Y133 HydrophobicContact CZ3-CD2 3.92Å; W128-Y133 HydrophobicContact CZ3-CG 4.11Å; W128-Y133 PolarHBondContact O-N 3.19Å; L129-Y133 HydrophobicContact CD2-CD1 4.13Å; L129-Y133 HydrophobicContact CD2-CG 4.22Å; L129-Y133 PolarHBondContact O-N 3.33Å; Y133-M136 PolarHBondContact O-N 2.59Å; Y133-A137 HydrophobicContact CE1-CB 4.5Å; Y133-A137 WeakPolarHBondContact O-CB 3.47Å; Y133-A137 PolarHBondContact O-N 3.15Å; Y133-V159 HydrophobicContact CD2-CG1 4.35Å; Y133-V159 HydrophobicContact CE2-CG1 3.73Å |
| 134 | F | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.8 | -42.9 | -177.5 | -49.2 | -38.9 | 0 | 0 | 0 | 112.5 | I52 W53 G57 L60 S61 L129 I130 M136 A137 H138 | I52-F134 HydrophobicContact CG2-CE2 3.61Å; I52-F134 HydrophobicContact CG2-CZ 3.68Å; W53-F134 HydrophobicContact CE3-CD1 4.05Å; W53-F134 AromaticContact CE3-CE1 3.55Å; W53-F134 HydrophobicContact CE3-CE1 3.55Å; W53-F134 HydrophobicContact CE3-CZ 4.38Å; W53-F134 AromaticContact CZ3-CD1 3.83Å; W53-F134 HydrophobicContact CZ3-CD1 3.83Å; W53-F134 AromaticContact CZ3-CE1 3.79Å; W53-F134 HydrophobicContact CZ3-CE1 3.79Å; G57-F134 VanDerWaalsContact CA-CZ 3.42Å; L60-F134 HydrophobicContact CB-CB 3.77Å; L60-F134 HydrophobicContact CB-CD2 4.35Å; L60-F134 HydrophobicContact CB-CG 4.37Å; L60-F134 HydrophobicContact CD1-CD2 4.04Å; S61-F134 WeakPolarHBondContact OG-CB 3.19Å; L129-F134 HydrophobicContact CB-CE1 4.37Å; L129-F134 HydrophobicContact CB-CE2 3.99Å; L129-F134 HydrophobicContact CB-CZ 3.72Å; L129-F134 HydrophobicContact CD2-CE1 3.95Å; L129-F134 HydrophobicContact CD2-CZ 3.98Å; L129-F134 HydrophobicContact CG-CZ 4.36Å; L129-F134 WeakPolarHBondContact O-CD2 3.41Å; L129-F134 WeakPolarHBondContact O-CE2 3.29Å; L129-F134 WeakPolarHBondContact O-CG 3.21Å; L129-F134 PolarHBondContact O-N 3.08Å; I130-F134 HydrophobicContact CG1-CD2 4.48Å; I130-F134 HydrophobicContact CG1-CE2 4.07Å; F134-M136 VanDerWaalsContact C-N 3.34Å; F134-M136 PolarHBondContact O-N 2.88Å; F134-A137 PolarHBondContact O-N 2.93Å; F134-H138 WeakPolarHBondContact O-CB 3.34Å; F134-H138 PolarHBondContact O-N 3.32Å |
| 135 | P | 98.8 | Very high | 98.7 | Very high | 9 Ų | 9 | 18.6 Ų | 18.6 | 6% | 0.058 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58 | -42.8 | 170 | -29.8 | 39.4 | 0 | 0 | 0 | 113.2 | F68 I69 I130 V132 H138 M139 F357 | F68-P135 WeakPolarHBondContact O-CA 3.37Å; F68-P135 WeakPolarHBondContact O-CB 3.31Å; I69-P135 HydrophobicContact CD1-CG 4.04Å; I69-P135 HydrophobicContact CG1-CG 4.24Å; I130-P135 VanDerWaalsContact O-CD 3.25Å; I130-P135 WeakPolarHBondContact O-CD 3.31Å; V132-P135 WeakPolarHBondContact O-CD 3.46Å; P135-H138 PolarHBondContact O-N 3.11Å; P135-M139 HydrophobicContact CB-CE 4.14Å; P135-M139 WeakPolarHBondContact O-CB 3.44Å; P135-M139 VanDerWaalsContact O-CE 3.31Å; P135-M139 WeakPolarHBondContact O-CE 3.27Å; P135-M139 VanDerWaalsContact O-CG 3.3Å; P135-M139 WeakPolarHBondContact O-CG 3.23Å; P135-M139 PolarHBondContact O-N 2.87Å; P135-F357 HydrophobicContact CB-CE1 4.21Å; P135-F357 HydrophobicContact CB-CZ 3.87Å; P135-F357 HydrophobicContact CG-CZ 4.49Å |
| 136 | M | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 176 | -77.5 | -54.4 | -48 | 0 | 0 | 112.2 | V132 Y133 F134 H138 M139 V140 L146 N158 V159 T354 F357 | V132-M136 HydrophobicContact CG1-CG 4.29Å; V132-M136 VanDerWaalsContact O-CB 3.3Å; V132-M136 WeakPolarHBondContact O-CB 3.33Å; V132-M136 VanDerWaalsContact O-CG 3.22Å; V132-M136 WeakPolarHBondContact O-CG 3.33Å; V132-M136 PolarHBondContact O-N 2.95Å; Y133-M136 PolarHBondContact O-N 2.59Å; F134-M136 VanDerWaalsContact C-N 3.34Å; F134-M136 PolarHBondContact O-N 2.88Å; M136-H138 VanDerWaalsContact C-N 3.3Å; M136-H138 PolarHBondContact O-N 2.92Å; M136-M139 HydrophobicContact CG-CE 4.44Å; M136-M139 PolarHBondContact O-N 3.3Å; M136-M139 HydrophobicContact SD-CE 3.63Å; M136-V140 HydrophobicContact CE-CG2 3.97Å; M136-V140 WeakPolarHBondContact O-CB 3.2Å; M136-V140 VanDerWaalsContact O-CG2 3.32Å; M136-V140 WeakPolarHBondContact O-CG2 3.34Å; M136-V140 PolarHBondContact O-N 2.86Å; M136-V140 VanDerWaalsContact O-N 3.08Å; M136-L146 HydrophobicContact CE-CD1 3.79Å; M136-N158 HydrophobicContact CE-CB 4.41Å; M136-V159 HydrophobicContact CB-CG1 4.49Å; M136-T354 HydrophobicContact CE-CG2 3.7Å; M136-T354 VanDerWaalsContact CE-OG1 3.28Å; M136-T354 WeakPolarHBondContact CE-OG1 3.42Å; M136-T354 HydrophobicContact SD-CG2 4.27Å; M136-F357 HydrophobicContact CG-CD1 3.95Å; M136-F357 HydrophobicContact CG-CE1 3.9Å; M136-F357 HydrophobicContact SD-CD1 3.47Å; M136-F357 WeakPolarHBondContact SD-CD1 3.2Å; M136-F357 HydrophobicContact SD-CE1 3.91Å; M136-F357 HydrophobicContact SD-CG 4.46Å |
| 137 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61 | -41.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y133 F134 W141 G142 V159 | Y133-A137 HydrophobicContact CE1-CB 4.5Å; Y133-A137 WeakPolarHBondContact O-CB 3.47Å; Y133-A137 PolarHBondContact O-N 3.15Å; F134-A137 PolarHBondContact O-N 2.93Å; A137-W141 HydrophobicContact CB-CE3 4.37Å; A137-W141 WeakPolarHBondContact O-CA 3.28Å; A137-W141 WeakPolarHBondContact O-CB 3.4Å; A137-W141 PolarHBondContact O-N 3.38Å; A137-G142 PolarHBondContact O-N 3.26Å; A137-V159 HydrophobicContact CB-CG1 4.03Å |
| 138 | H | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.9 | -48.5 | 175.8 | -172.4 | 67.8 | 0 | 0 | 0 | 112.6 | S61 G66 I69 G70 F134 P135 M136 V140 G142 G143 G144 | S61-H138 VanDerWaalsContact O-CA 3.29Å; S61-H138 WeakPolarHBondContact O-CA 3.39Å; S61-H138 WeakPolarHBondContact O-CB 3.25Å; S61-H138 PolarHBondContact O-ND1 3.39Å; G66-H138 PolarHBondContact O-NE2 2.95Å; I69-H138 VanDerWaalsContact CA-CD2 3.47Å; I69-H138 WeakPolarHBondContact CA-CD2 3.1Å; I69-H138 PolarHBondContact N-CD2 3.28Å; I69-H138 VanDerWaalsContact N-CD2 3.33Å; I69-H138 PolarHBondContact O-NE2 3.13Å; G70-H138 PolarHBondContact N-CD2 3.27Å; F134-H138 WeakPolarHBondContact O-CB 3.34Å; F134-H138 PolarHBondContact O-N 3.32Å; P135-H138 PolarHBondContact O-N 3.11Å; M136-H138 VanDerWaalsContact C-N 3.3Å; M136-H138 PolarHBondContact O-N 2.92Å; H138-V140 VanDerWaalsContact C-N 3.26Å; H138-V140 PolarHBondContact O-N 2.84Å; H138-G142 PolarHBondContact CE1-O 2.93Å; H138-G142 CarbonylContact O-C 3.56Å; H138-G142 WeakPolarHBondContact O-CA 3.39Å; H138-G142 PolarHBondContact O-N 3.31Å; H138-G143 PolarHBondContact O-N 3.11Å; H138-G144 PolarHBondContact O-N 2.8Å |
| 139 | M | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60 | -35.9 | -179.4 | -77.3 | -175.4 | -75.3 | 0 | 0 | 112.8 | D67 F68 P135 M136 G144 F145 L146 D147 F353 F357 | D67-M139 WeakPolarHBondContact O-CG 3.45Å; F68-M139 HydrophobicContact CD1-SD 3.65Å; F68-M139 HydrophobicContact CE1-SD 4.37Å; P135-M139 HydrophobicContact CB-CE 4.14Å; P135-M139 WeakPolarHBondContact O-CB 3.44Å; P135-M139 VanDerWaalsContact O-CE 3.31Å; P135-M139 WeakPolarHBondContact O-CE 3.27Å; P135-M139 VanDerWaalsContact O-CG 3.3Å; P135-M139 WeakPolarHBondContact O-CG 3.23Å; P135-M139 PolarHBondContact O-N 2.87Å; M136-M139 HydrophobicContact CG-CE 4.44Å; M136-M139 PolarHBondContact O-N 3.3Å; M136-M139 HydrophobicContact SD-CE 3.63Å; M139-G144 CarbonylContact O-C 3.39Å; M139-F145 HydrophobicContact CG-CB 4.34Å; M139-L146 HydrophobicContact CB-CB 4.26Å; M139-L146 HydrophobicContact CB-CD1 4.18Å; M139-L146 HydrophobicContact CB-CG 4.06Å; M139-L146 CarbonylContact O-C 3.29Å; M139-L146 WeakPolarHBondContact O-CA 3.43Å; M139-L146 WeakPolarHBondContact O-CB 3.39Å; M139-L146 PolarHBondContact O-N 2.78Å; M139-D147 PolarHBondContact O-N 3.44Å; M139-F353 HydrophobicContact CE-CE1 3.75Å; M139-F353 HydrophobicContact CE-CZ 4.35Å; M139-F353 HydrophobicContact SD-CD1 4.5Å; M139-F353 HydrophobicContact SD-CE1 3.44Å; M139-F353 WeakPolarHBondContact SD-CE1 3.3Å; M139-F353 HydrophobicContact SD-CZ 3.72Å; M139-F357 HydrophobicContact CE-CD1 4.08Å; M139-F357 HydrophobicContact CE-CE1 3.87Å; M139-F357 HydrophobicContact CE-CZ 4.17Å |
| 140 | V | 98.7 | Very high | 98.5 | Very high | 8 Ų | 8 | 26.9 Ų | 26.9 | 5% | 0.048 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -98 | -37.2 | -173.1 | -177.8 | 0 | 0 | 0 | 0 | 113.1 | M136 H138 L146 D153 N158 V159 | M136-V140 HydrophobicContact CE-CG2 3.97Å; M136-V140 WeakPolarHBondContact O-CB 3.2Å; M136-V140 VanDerWaalsContact O-CG2 3.32Å; M136-V140 WeakPolarHBondContact O-CG2 3.34Å; M136-V140 PolarHBondContact O-N 2.86Å; M136-V140 VanDerWaalsContact O-N 3.08Å; H138-V140 VanDerWaalsContact C-N 3.26Å; H138-V140 PolarHBondContact O-N 2.84Å; V140-L146 HydrophobicContact CG2-CB 3.99Å; V140-L146 HydrophobicContact CG2-CD1 3.61Å; V140-L146 HydrophobicContact CG2-CG 4.42Å; V140-D153 HydrophobicContact CG1-CB 3.51Å; V140-N158 HydrophobicContact CG2-CB 4.35Å; V140-V159 HydrophobicContact CB-CG2 3.5Å; V140-V159 HydrophobicContact CG1-CG2 3.8Å; V140-V159 HydrophobicContact CG2-CG2 3.68Å |
| 141 | W | 98.5 | Very high | 98.5 | Very high | 54 Ų | 54 | 23.7 Ų | 23.7 | 21% | 0.205 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -122.3 | -14.2 | -173.8 | -59.3 | -35.9 | 0 | 0 | 0 | 114.2 | F62 F100 A137 D153 A155 G156 V159 V160 | F62-W141 HydrophobicContact CE1-CB 3.76Å; F62-W141 HydrophobicContact CZ-CB 4.15Å; F62-W141 HydrophobicContact CZ-CE3 4.37Å; F100-W141 AromaticContact CD1-CH2 3.97Å; F100-W141 HydrophobicContact CD1-CH2 3.97Å; F100-W141 HydrophobicContact CD1-CZ3 4.41Å; A137-W141 HydrophobicContact CB-CE3 4.37Å; A137-W141 WeakPolarHBondContact O-CA 3.28Å; A137-W141 WeakPolarHBondContact O-CB 3.4Å; A137-W141 PolarHBondContact O-N 3.38Å; W141-D153 PolarHBondContact NE1-O 2.95Å; W141-A155 VanDerWaalsContact CZ2-C 3.46Å; W141-G156 VanDerWaalsContact CZ2-CA 3.44Å; W141-V159 HydrophobicContact CD2-CG2 4.04Å; W141-V159 HydrophobicContact CE3-CB 4.39Å; W141-V159 HydrophobicContact CE3-CG1 4.13Å; W141-V159 HydrophobicContact CE3-CG2 4.12Å; W141-V159 HydrophobicContact CH2-CB 3.65Å; W141-V159 HydrophobicContact CH2-CG1 3.86Å; W141-V159 HydrophobicContact CH2-CG2 4Å; W141-V159 HydrophobicContact CZ2-CB 3.94Å; W141-V159 HydrophobicContact CZ2-CG2 3.87Å; W141-V159 HydrophobicContact CZ3-CB 3.89Å; W141-V159 HydrophobicContact CZ3-CG1 3.61Å; W141-V159 HydrophobicContact CZ3-CG2 4.12Å; W141-V160 HydrophobicContact CH2-CG2 4.33Å |
| 142 | G | 97.8 | Very high | 98.5 | Very high | 19 Ų | 19 | 21 Ų | 21 | 20% | 0.196 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -95.5 | 11 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A137 H138 | A137-G142 PolarHBondContact O-N 3.26Å; H138-G142 PolarHBondContact CE1-O 2.93Å; H138-G142 CarbonylContact O-C 3.56Å; H138-G142 WeakPolarHBondContact O-CA 3.39Å; H138-G142 PolarHBondContact O-N 3.31Å |
| 143 | G | 97.6 | Very high | 98.5 | Very high | 30 Ų | 30 | 21.5 Ų | 21.5 | 31% | 0.309 | 12% | 0.12 | S | C | . | . | S | Bend | trans | 81.8 | 15.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | H138 K148 | H138-G143 PolarHBondContact O-N 3.11Å; G143-K148 WeakPolarHBondContact O-CE 3.38Å; G143-K148 PolarHBondContact O-NZ 3.22Å |
| 144 | G | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -81.8 | -160.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | D67 H138 M139 L146 D147 K148 | D67-G144 CarbonylContact O-C 3.29Å; D67-G144 WeakPolarHBondContact O-CA 3.47Å; H138-G144 PolarHBondContact O-N 2.8Å; M139-G144 CarbonylContact O-C 3.39Å; G144-L146 PolarHBondContact O-N 2.97Å; G144-D147 PolarHBondContact O-N 2.93Å; G144-K148 WeakPolarHBondContact O-CB 3.15Å; G144-K148 VanDerWaalsContact O-CG 3.29Å; G144-K148 WeakPolarHBondContact O-CG 3.47Å; G144-K148 PolarHBondContact O-N 3.33Å |
| 145 | F | 98.6 | Very high | 98.5 | Very high | 67 Ų | 67 | 22.5 Ų | 22.5 | 29% | 0.294 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -56.2 | -45.2 | -168.2 | 171.1 | -114.6 | 0 | 0 | 0 | 114.1 | D67 F68 M139 K148 I149 F353 | D67-F145 HydrophobicContact CB-CB 4.49Å; D67-F145 VanDerWaalsContact O-CB 3.3Å; D67-F145 WeakPolarHBondContact O-CB 3.2Å; D67-F145 PolarHBondContact O-N 2.94Å; F68-F145 HydrophobicContact CE1-CB 4.33Å; F68-F145 HydrophobicContact CE1-CD1 4.31Å; F68-F145 HydrophobicContact CE1-CG 4.31Å; M139-F145 HydrophobicContact CG-CB 4.34Å; F145-K148 PolarHBondContact O-N 3.37Å; F145-I149 HydrophobicContact CD2-CG2 4.27Å; F145-I149 HydrophobicContact CE2-CG2 3.77Å; F145-I149 HydrophobicContact CZ-CG2 4.05Å; F145-I149 PolarHBondContact O-N 3.35Å; F145-I149 VanDerWaalsContact O-N 3.08Å; F145-F353 HydrophobicContact CD1-CD2 4.37Å; F145-F353 HydrophobicContact CD1-CE2 4.19Å; F145-F353 HydrophobicContact CD1-CZ 4.35Å; F145-F353 AromaticContact CE1-CD2 3.83Å; F145-F353 HydrophobicContact CE1-CD2 3.83Å; F145-F353 AromaticContact CE1-CE2 3.99Å; F145-F353 HydrophobicContact CE1-CE2 3.99Å; F145-F353 HydrophobicContact CE1-CG 4.28Å |
| 146 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -74.3 | -29.7 | -175.6 | -64.3 | 179.8 | 0 | 0 | 0 | 112.6 | M136 M139 V140 G144 I149 S151 F353 | M136-L146 HydrophobicContact CE-CD1 3.79Å; M139-L146 HydrophobicContact CB-CB 4.26Å; M139-L146 HydrophobicContact CB-CD1 4.18Å; M139-L146 HydrophobicContact CB-CG 4.06Å; M139-L146 CarbonylContact O-C 3.29Å; M139-L146 WeakPolarHBondContact O-CA 3.43Å; M139-L146 WeakPolarHBondContact O-CB 3.39Å; M139-L146 PolarHBondContact O-N 2.78Å; V140-L146 HydrophobicContact CG2-CB 3.99Å; V140-L146 HydrophobicContact CG2-CD1 3.61Å; V140-L146 HydrophobicContact CG2-CG 4.42Å; G144-L146 PolarHBondContact O-N 2.97Å; L146-I149 HydrophobicContact CD2-CD1 3.94Å; L146-I149 VanDerWaalsContact O-CG1 3.23Å; L146-I149 WeakPolarHBondContact O-CG1 3.44Å; L146-S151 WeakPolarHBondContact O-CB 3.2Å; L146-S151 PolarHBondContact O-N 3.11Å; L146-S151 PolarHBondContact O-OG 2.88Å; L146-F353 HydrophobicContact CD1-CD1 4Å; L146-F353 HydrophobicContact CD2-CB 4.18Å; L146-F353 HydrophobicContact CD2-CD1 4.05Å; L146-F353 HydrophobicContact CD2-CG 4.15Å; L146-F353 HydrophobicContact CG-CD1 4.33Å |
| 147 | D | 98.2 | Very high | 98.4 | Very high | 77 Ų | 77 | 22.1 Ų | 22.1 | 41% | 0.412 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -68.8 | -43.3 | 168.1 | -177.3 | 53.2 | 0 | 0 | 0 | 110.9 | M139 G144 I149 G150 | M139-D147 PolarHBondContact O-N 3.44Å; G144-D147 PolarHBondContact O-N 2.93Å; D147-I149 VanDerWaalsContact C-N 3.34Å; D147-I149 PolarHBondContact O-N 3.37Å; D147-G150 WeakPolarHBondContact O-CA 3.36Å; D147-G150 PolarHBondContact O-N 2.92Å |
| 148 | K | 98.2 | Very high | 98.4 | Very high | 109 Ų | 109 | 22.1 Ų | 22.1 | 47% | 0.474 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -62.6 | -32.2 | -179.9 | -75.5 | 165.4 | 174.4 | 155.4 | 0 | 114.3 | D65 D67 G143 G144 F145 G150 | D65-K148 PolarHBondContact O-NZ 2.8Å; D67-K148 IonicContact OD1-NZ 2.67Å; D67-K148 PolarHBondContact OD1-NZ 2.76Å; G143-K148 WeakPolarHBondContact O-CE 3.38Å; G143-K148 PolarHBondContact O-NZ 3.22Å; G144-K148 WeakPolarHBondContact O-CB 3.15Å; G144-K148 VanDerWaalsContact O-CG 3.29Å; G144-K148 WeakPolarHBondContact O-CG 3.47Å; G144-K148 PolarHBondContact O-N 3.33Å; F145-K148 PolarHBondContact O-N 3.37Å; K148-G150 PolarHBondContact O-N 3.45Å |
| 149 | I | 98.2 | Very high | 98.4 | Very high | 34 Ų | 34 | 22.1 Ų | 22.1 | 17% | 0.174 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -2.9 | 171.7 | 67.4 | 171 | 0 | 0 | 0 | 112.9 | F145 L146 D147 H342 A346 E349 | F145-I149 HydrophobicContact CD2-CG2 4.27Å; F145-I149 HydrophobicContact CE2-CG2 3.77Å; F145-I149 HydrophobicContact CZ-CG2 4.05Å; F145-I149 PolarHBondContact O-N 3.35Å; F145-I149 VanDerWaalsContact O-N 3.08Å; L146-I149 HydrophobicContact CD2-CD1 3.94Å; L146-I149 VanDerWaalsContact O-CG1 3.23Å; L146-I149 WeakPolarHBondContact O-CG1 3.44Å; D147-I149 VanDerWaalsContact C-N 3.34Å; D147-I149 PolarHBondContact O-N 3.37Å; I149-H342 PolarHBondContact O-CE1 3.13Å; I149-A346 WeakPolarHBondContact O-CB 3.44Å; I149-E349 HydrophobicContact CD1-CB 4.05Å |
| 150 | G | 97.8 | Very high | 98.4 | Very high | 22 Ų | 22 | 22.1 Ų | 22.1 | 23% | 0.227 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 19.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | D147 K148 L343 | D147-G150 WeakPolarHBondContact O-CA 3.36Å; D147-G150 PolarHBondContact O-N 2.92Å; K148-G150 PolarHBondContact O-N 3.45Å; G150-L343 WeakPolarHBondContact O-CD1 3.43Å |
| 151 | S | 98.5 | Very high | 98.4 | Very high | 5 Ų | 5 | 21.8 Ų | 21.8 | 4% | 0.035 | 12% | 0.12 | C | C | . | . | trans | -70.2 | 155 | 169.9 | 81.5 | 0 | 0 | 0 | 0 | 110.2 | L146 S350 | L146-S151 WeakPolarHBondContact O-CB 3.2Å; L146-S151 PolarHBondContact O-N 3.11Å; L146-S151 PolarHBondContact O-OG 2.88Å; S151-S350 WeakPolarHBondContact OG-CB 3.11Å; S151-S350 PolarHBondContact OG-OG 3.33Å; S151-S350 VanDerWaalsContact OG-OG 3.11Å | ||
| 152 | I | 98.5 | Very high | 98.4 | Very high | 8 Ų | 8 | 19.2 Ų | 19.2 | 4% | 0.041 | 11% | 0.11 | C | C | . | . | trans | -128 | 138.5 | 179.2 | 69.8 | -174.2 | 0 | 0 | 0 | 110.8 | F271 T322 A326 K333 L343 Q347 | I152-F271 HydrophobicContact CB-CD2 4.29Å; I152-F271 HydrophobicContact CB-CE2 3.91Å; I152-F271 HydrophobicContact CB-CZ 4.25Å; I152-F271 HydrophobicContact CD1-CB 4.05Å; I152-F271 HydrophobicContact CD1-CD1 4.13Å; I152-F271 HydrophobicContact CD1-CD2 3.71Å; I152-F271 HydrophobicContact CD1-CE2 4.14Å; I152-F271 HydrophobicContact CD1-CG 3.7Å; I152-F271 HydrophobicContact CG1-CD2 4.06Å; I152-F271 HydrophobicContact CG1-CE2 4.2Å; I152-T322 HydrophobicContact CD1-CG2 3.89Å; I152-T322 HydrophobicContact CG1-CG2 3.89Å; I152-A326 HydrophobicContact CD1-CB 4.28Å; I152-K333 HydrophobicContact CD1-CB 3.93Å; I152-K333 HydrophobicContact CD1-CG 3.98Å; I152-K333 HydrophobicContact CG2-CD 3.94Å; I152-K333 HydrophobicContact CG2-CG 4.07Å; I152-L343 HydrophobicContact CB-CD1 4.48Å; I152-L343 HydrophobicContact CD1-CD1 3.97Å; I152-L343 HydrophobicContact CD1-CD2 3.81Å; I152-L343 HydrophobicContact CD1-CG 4.45Å; I152-L343 HydrophobicContact CG1-CD1 3.97Å; I152-L343 HydrophobicContact CG2-CD1 3.98Å; I152-Q347 PolarHBondContact O-NE2 2.83Å; I152-Q347 PolarHBondContact O-OE1 3.37Å; I152-Q347 VanDerWaalsContact O-OE1 3.1Å | ||
| 153 | D | 98.6 | Very high | 98.4 | Very high | 9 Ų | 9 | 18.3 Ų | 18.3 | 5% | 0.048 | 10% | 0.101 | C | C | . | . | trans | -147.7 | 97.6 | 176.9 | -173 | -1.4 | 0 | 0 | 0 | 108.9 | V140 W141 A155 G156 G157 N158 V159 P267 | V140-D153 HydrophobicContact CG1-CB 3.51Å; W141-D153 PolarHBondContact NE1-O 2.95Å; D153-A155 VanDerWaalsContact C-N 3.33Å; D153-A155 PolarHBondContact O-N 3Å; D153-G156 VanDerWaalsContact OD1-CA 3.23Å; D153-G156 WeakPolarHBondContact OD1-CA 3.39Å; D153-G156 PolarHBondContact OD1-N 3.35Å; D153-G156 WeakPolarHBondContact OD2-CA 3.47Å; D153-G157 VanDerWaalsContact CG-N 3.3Å; D153-G157 PolarHBondContact OD1-N 2.98Å; D153-G157 PolarHBondContact OD2-N 3.05Å; D153-G157 VanDerWaalsContact OD2-N 3.13Å; D153-N158 WeakPolarHBondContact OD2-CA 3.26Å; D153-N158 WeakPolarHBondContact OD2-CB 3.28Å; D153-N158 PolarHBondContact OD2-N 3.45Å; D153-V159 PolarHBondContact OD2-N 3.33Å; D153-P267 WeakPolarHBondContact OD1-CA 3.42Å | ||
| 154 | F | 98.6 | Very high | 98.5 | Very high | 22 Ų | 22 | 16.9 Ų | 16.9 | 10% | 0.096 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -62.4 | -38.5 | -170.3 | -172.3 | -107.8 | 0 | 0 | 0 | 113.4 | N209 S212 A213 L219 A223 P267 A269 F271 | F154-N209 WeakPolarHBondContact CE1-O 3.23Å; F154-S212 VanDerWaalsContact O-CB 3.27Å; F154-S212 WeakPolarHBondContact O-CB 3.11Å; F154-A213 HydrophobicContact CZ-CB 4.17Å; F154-L219 HydrophobicContact CE2-CD2 4.17Å; F154-L219 HydrophobicContact CE2-CG 4.37Å; F154-L219 HydrophobicContact CZ-CG 4.4Å; F154-A223 HydrophobicContact CE1-CB 3.59Å; F154-A223 HydrophobicContact CZ-CB 3.96Å; F154-P267 WeakPolarHBondContact CB-O 3.33Å; F154-P267 PolarHBondContact N-O 2.87Å; F154-A269 HydrophobicContact CD1-CB 3.85Å; F154-A269 HydrophobicContact CE1-CB 4.24Å; F154-F271 HydrophobicContact CB-CD2 3.82Å; F154-F271 HydrophobicContact CB-CE2 3.67Å; F154-F271 HydrophobicContact CD2-CD2 4.21Å; F154-F271 AromaticContact CD2-CE2 3.81Å; F154-F271 HydrophobicContact CD2-CE2 3.81Å; F154-F271 HydrophobicContact CD2-CZ 4.17Å; F154-F271 HydrophobicContact CG-CD2 4.41Å; F154-F271 HydrophobicContact CG-CE2 4.22Å |
| 155 | A | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -146.1 | -2.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | F100 W141 D153 F208 N209 S212 T266 | F100-A155 WeakPolarHBondContact CD1-O 3.41Å; F100-A155 HydrophobicContact CE1-CB 4.41Å; F100-A155 WeakPolarHBondContact CE1-O 3.38Å; W141-A155 VanDerWaalsContact CZ2-C 3.46Å; D153-A155 VanDerWaalsContact C-N 3.33Å; D153-A155 PolarHBondContact O-N 3Å; A155-F208 HydrophobicContact CB-CD1 3.9Å; A155-F208 HydrophobicContact CB-CE1 3.85Å; A155-F208 WeakPolarHBondContact O-CE1 3.37Å; A155-F208 WeakPolarHBondContact O-CZ 3.45Å; A155-N209 VanDerWaalsContact CB-OD1 3.3Å; A155-N209 WeakPolarHBondContact CB-OD1 3.47Å; A155-S212 WeakPolarHBondContact CB-OG 3.24Å; A155-T266 HydrophobicContact CB-CG2 3.73Å; A155-T266 PolarHBondContact N-O 2.94Å |
| 156 | G | 97.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | 129.8 | 37.1 | 166 | 0 | 0 | 0 | 0 | 0 | 115.1 | W141 D153 N158 V160 H161 | W141-G156 VanDerWaalsContact CZ2-CA 3.44Å; D153-G156 VanDerWaalsContact OD1-CA 3.23Å; D153-G156 WeakPolarHBondContact OD1-CA 3.39Å; D153-G156 PolarHBondContact OD1-N 3.35Å; D153-G156 WeakPolarHBondContact OD2-CA 3.47Å; G156-N158 VanDerWaalsContact C-N 3.28Å; G156-N158 PolarHBondContact O-N 3.37Å; G156-V160 CarbonylContact O-C 3.38Å; G156-V160 WeakPolarHBondContact O-CA 3.32Å; G156-V160 WeakPolarHBondContact O-CB 2.97Å; G156-V160 PolarHBondContact O-N 3.37Å; G156-H161 PolarHBondContact O-N 3.11Å | ||
| 157 | G | 98.3 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | I | π-helix | trans | -50.3 | -50.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D153 H161 I162 | D153-G157 VanDerWaalsContact CG-N 3.3Å; D153-G157 PolarHBondContact OD1-N 2.98Å; D153-G157 PolarHBondContact OD2-N 3.05Å; D153-G157 VanDerWaalsContact OD2-N 3.13Å; G157-H161 PolarHBondContact O-N 3.43Å; G157-I162 WeakPolarHBondContact O-CB 3.44Å; G157-I162 WeakPolarHBondContact O-CD1 3.5Å; G157-I162 WeakPolarHBondContact O-CG1 3.38Å; G157-I162 PolarHBondContact O-N 2.98Å |
| 158 | N | 98.5 | Very high | 98.6 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.005 | 6% | 0.058 | C | C | . | . | I | π-helix | trans | -79.1 | -59.5 | 175.4 | -67.5 | -48.8 | 0 | 0 | 0 | 111.4 | M136 V140 D153 G156 V160 I162 S163 S350 T354 | M136-N158 HydrophobicContact CE-CB 4.41Å; V140-N158 HydrophobicContact CG2-CB 4.35Å; D153-N158 WeakPolarHBondContact OD2-CA 3.26Å; D153-N158 WeakPolarHBondContact OD2-CB 3.28Å; D153-N158 PolarHBondContact OD2-N 3.45Å; G156-N158 VanDerWaalsContact C-N 3.28Å; G156-N158 PolarHBondContact O-N 3.37Å; N158-V160 VanDerWaalsContact C-N 3.28Å; N158-V160 PolarHBondContact O-N 3.47Å; N158-I162 WeakPolarHBondContact OD1-CD1 3.36Å; N158-S163 WeakPolarHBondContact O-CB 3.44Å; N158-S163 PolarHBondContact O-N 3.37Å; N158-S163 VanDerWaalsContact O-N 3.09Å; N158-S163 PolarHBondContact O-OG 3.31Å; N158-S350 PolarHBondContact ND2-OG 3.17Å; N158-S350 VanDerWaalsContact ND2-OG 3.09Å; N158-T354 HydrophobicContact CB-CG2 4.3Å |
| 159 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.04 | C | C | . | . | I | π-helix | trans | -62.7 | -34.7 | -169.1 | -177 | 0 | 0 | 0 | 0 | 112.2 | Y133 M136 A137 V140 W141 D153 S163 | Y133-V159 HydrophobicContact CD2-CG1 4.35Å; Y133-V159 HydrophobicContact CE2-CG1 3.73Å; M136-V159 HydrophobicContact CB-CG1 4.49Å; A137-V159 HydrophobicContact CB-CG1 4.03Å; V140-V159 HydrophobicContact CB-CG2 3.5Å; V140-V159 HydrophobicContact CG1-CG2 3.8Å; V140-V159 HydrophobicContact CG2-CG2 3.68Å; W141-V159 HydrophobicContact CD2-CG2 4.04Å; W141-V159 HydrophobicContact CE3-CB 4.39Å; W141-V159 HydrophobicContact CE3-CG1 4.13Å; W141-V159 HydrophobicContact CE3-CG2 4.12Å; W141-V159 HydrophobicContact CH2-CB 3.65Å; W141-V159 HydrophobicContact CH2-CG1 3.86Å; W141-V159 HydrophobicContact CH2-CG2 4Å; W141-V159 HydrophobicContact CZ2-CB 3.94Å; W141-V159 HydrophobicContact CZ2-CG2 3.87Å; W141-V159 HydrophobicContact CZ3-CB 3.89Å; W141-V159 HydrophobicContact CZ3-CG1 3.61Å; W141-V159 HydrophobicContact CZ3-CG2 4.12Å; D153-V159 PolarHBondContact OD2-N 3.33Å; V159-S163 VanDerWaalsContact C-OG 3.29Å; V159-S163 PolarHBondContact O-OG 3.06Å |
| 160 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 4% | 0.038 | C | C | . | . | I | π-helix | trans | -104.5 | -59.6 | -176.3 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | F100 T104 I107 W141 G156 N158 S163 S164 F208 | F100-V160 HydrophobicContact CB-CG2 4.33Å; F100-V160 HydrophobicContact CD1-CG2 4.05Å; T104-V160 HydrophobicContact CG2-CG1 4.49Å; T104-V160 WeakPolarHBondContact OG1-CB 3.22Å; T104-V160 WeakPolarHBondContact OG1-CG1 3.3Å; T104-V160 VanDerWaalsContact OG1-CG2 3.24Å; T104-V160 WeakPolarHBondContact OG1-CG2 3.36Å; I107-V160 HydrophobicContact CD1-CG1 3.83Å; W141-V160 HydrophobicContact CH2-CG2 4.33Å; G156-V160 CarbonylContact O-C 3.38Å; G156-V160 WeakPolarHBondContact O-CA 3.32Å; G156-V160 WeakPolarHBondContact O-CB 2.97Å; G156-V160 PolarHBondContact O-N 3.37Å; N158-V160 VanDerWaalsContact C-N 3.28Å; N158-V160 PolarHBondContact O-N 3.47Å; V160-S163 PolarHBondContact O-OG 3.21Å; V160-S164 WeakPolarHBondContact O-CB 3.49Å; V160-S164 PolarHBondContact O-N 3.24Å; V160-S164 PolarHBondContact O-OG 2.82Å; V160-F208 HydrophobicContact CB-CZ 4.37Å; V160-F208 HydrophobicContact CG1-CZ 4.18Å; V160-F208 HydrophobicContact CG2-CZ 3.93Å |
| 161 | H | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 5.1 Ų | 5.1 | 1% | 0.005 | 3% | 0.027 | C | C | . | . | I | π-helix | trans | -83.2 | -50.4 | -164.3 | -64.4 | -46.3 | 0 | 0 | 0 | 114.4 | G156 G157 S164 G165 W205 V263 H311 | G156-H161 PolarHBondContact O-N 3.11Å; G157-H161 PolarHBondContact O-N 3.43Å; H161-S164 PolarHBondContact O-OG 3.23Å; H161-G165 WeakPolarHBondContact O-CA 3.24Å; H161-G165 PolarHBondContact O-N 3.22Å; H161-W205 AromaticContact CE1-CZ2 3.47Å; H161-W205 VanDerWaalsContact CE1-CZ2 3.47Å; H161-W205 WeakPolarHBondContact CE1-CZ2 3.47Å; H161-W205 AromaticContact NE2-CZ2 3.61Å; H161-V263 HydrophobicContact CB-CG1 3.97Å; H161-H311 HydrophobicContact CB-CB 4.31Å; H161-H311 WeakPolarHBondContact CB-O 3.39Å; H161-H311 AromaticContact CE1-ND1 3.93Å; H161-H311 AromaticContact ND1-ND1 3.39Å; H161-H311 PolarHBondContact ND1-ND1 3.09Å; H161-H311 CarbonylContact O-C 3.55Å |
| 162 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.026 | C | C | . | . | I | π-helix | trans | -67.3 | -47.4 | 179.2 | -64 | 162.8 | 0 | 0 | 0 | 109.4 | G157 N158 G165 I166 I316 V351 T354 L355 | G157-I162 WeakPolarHBondContact O-CB 3.44Å; G157-I162 WeakPolarHBondContact O-CD1 3.5Å; G157-I162 WeakPolarHBondContact O-CG1 3.38Å; G157-I162 PolarHBondContact O-N 2.98Å; N158-I162 WeakPolarHBondContact OD1-CD1 3.36Å; I162-G165 PolarHBondContact O-N 3.21Å; I162-I166 VanDerWaalsContact O-CG2 3.24Å; I162-I166 WeakPolarHBondContact O-CG2 3.36Å; I162-I166 PolarHBondContact O-N 2.94Å; I162-I316 HydrophobicContact CD1-CG1 4.4Å; I162-I316 HydrophobicContact CG1-CG1 4.13Å; I162-I316 HydrophobicContact CG2-CG1 4.49Å; I162-V351 HydrophobicContact CD1-CG1 4.26Å; I162-V351 HydrophobicContact CD1-CG2 3.89Å; I162-T354 HydrophobicContact CB-CG2 4.04Å; I162-T354 HydrophobicContact CG2-CG2 3.7Å; I162-L355 HydrophobicContact CG2-CD2 3.65Å; I162-L355 HydrophobicContact CG2-CG 3.91Å |
| 163 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -59.2 | -50.1 | -178.9 | 72.9 | 0 | 0 | 0 | 0 | 112.2 | N158 V159 V160 I166 S167 | N158-S163 WeakPolarHBondContact O-CB 3.44Å; N158-S163 PolarHBondContact O-N 3.37Å; N158-S163 VanDerWaalsContact O-N 3.09Å; N158-S163 PolarHBondContact O-OG 3.31Å; V159-S163 VanDerWaalsContact C-OG 3.29Å; V159-S163 PolarHBondContact O-OG 3.06Å; V160-S163 PolarHBondContact O-OG 3.21Å; S163-I166 WeakPolarHBondContact O-CG2 3.34Å; S163-S167 VanDerWaalsContact O-CB 3.26Å; S163-S167 WeakPolarHBondContact O-CB 3.21Å; S163-S167 PolarHBondContact O-N 3.25Å; S163-S167 VanDerWaalsContact O-N 3.15Å; S163-S167 PolarHBondContact O-OG 3.09Å |
| 164 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -70 | -40.1 | 179 | 62.8 | 0 | 0 | 0 | 0 | 111.7 | T104 I107 L108 V160 H161 S167 G168 | T104-S164 VanDerWaalsContact O-CB 3.26Å; T104-S164 WeakPolarHBondContact O-CB 3.11Å; I107-S164 WeakPolarHBondContact CG2-OG 3.24Å; L108-S164 WeakPolarHBondContact CB-O 3.32Å; V160-S164 WeakPolarHBondContact O-CB 3.49Å; V160-S164 PolarHBondContact O-N 3.24Å; V160-S164 PolarHBondContact O-OG 2.82Å; H161-S164 PolarHBondContact O-OG 3.23Å; S164-S167 PolarHBondContact O-N 3.36Å; S164-G168 PolarHBondContact O-N 2.91Å |
| 165 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -59 | -53.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | H161 I162 S167 G168 L169 F308 | H161-G165 WeakPolarHBondContact O-CA 3.24Å; H161-G165 PolarHBondContact O-N 3.22Å; I162-G165 PolarHBondContact O-N 3.21Å; G165-S167 VanDerWaalsContact C-N 3.3Å; G165-S167 PolarHBondContact O-N 3.12Å; G165-G168 PolarHBondContact O-N 2.85Å; G165-L169 PolarHBondContact O-N 3.01Å; G165-F308 WeakPolarHBondContact O-CD2 3.49Å |
| 166 | I | 98.9 | Very high | 98.5 | Very high | 22 Ų | 22 | 11.3 Ų | 11.3 | 11% | 0.113 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66.2 | -35.6 | -178.8 | -168.1 | 56.9 | 0 | 0 | 0 | 111.6 | I162 S163 L169 V170 F308 L355 A358 | I162-I166 VanDerWaalsContact O-CG2 3.24Å; I162-I166 WeakPolarHBondContact O-CG2 3.36Å; I162-I166 PolarHBondContact O-N 2.94Å; S163-I166 WeakPolarHBondContact O-CG2 3.34Å; I166-L169 HydrophobicContact CD1-CB 4.45Å; I166-L169 HydrophobicContact CD1-CD2 4Å; I166-L169 PolarHBondContact O-N 2.84Å; I166-V170 WeakPolarHBondContact O-CG2 3.42Å; I166-V170 PolarHBondContact O-N 3.05Å; I166-F308 HydrophobicContact CB-CE2 4.43Å; I166-F308 HydrophobicContact CD1-CE2 3.96Å; I166-L355 HydrophobicContact CB-CD2 3.93Å; I166-L355 HydrophobicContact CD1-CD2 4.13Å; I166-L355 HydrophobicContact CG1-CD2 3.96Å; I166-L355 HydrophobicContact CG2-CD2 4.49Å; I166-A358 HydrophobicContact CG2-CB 3.68Å |
| 167 | S | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 174.9 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | W128 S163 S164 G165 V170 L171 S362 | W128-S167 WeakPolarHBondContact CZ2-OG 3.21Å; W128-S167 PolarHBondContact NE1-OG 3.15Å; S163-S167 VanDerWaalsContact O-CB 3.26Å; S163-S167 WeakPolarHBondContact O-CB 3.21Å; S163-S167 PolarHBondContact O-N 3.25Å; S163-S167 VanDerWaalsContact O-N 3.15Å; S163-S167 PolarHBondContact O-OG 3.09Å; S164-S167 PolarHBondContact O-N 3.36Å; G165-S167 VanDerWaalsContact C-N 3.3Å; G165-S167 PolarHBondContact O-N 3.12Å; S167-V170 PolarHBondContact O-N 3.36Å; S167-L171 WeakPolarHBondContact O-CG 3.3Å; S167-L171 PolarHBondContact O-N 3.45Å; S167-S362 WeakPolarHBondContact CB-OG 3.37Å; S167-S362 PolarHBondContact OG-OG 3.16Å |
| 168 | G | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S111 S164 G165 V170 L171 A172 | S111-G168 WeakPolarHBondContact CB-O 3.42Å; S111-G168 VanDerWaalsContact OG-C 3.31Å; S111-G168 WeakPolarHBondContact OG-CA 3.29Å; S164-G168 PolarHBondContact O-N 2.91Å; G165-G168 PolarHBondContact O-N 2.85Å; G168-V170 PolarHBondContact O-N 2.84Å; G168-L171 PolarHBondContact O-N 3.21Å; G168-A172 WeakPolarHBondContact O-CB 3.44Å; G168-A172 PolarHBondContact O-N 3.18Å |
| 169 | L | 98.7 | Very high | 97.6 | Very high | 19 Ų | 19 | 23.7 Ų | 23.7 | 10% | 0.099 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 175.8 | -178.1 | 63.7 | 0 | 0 | 0 | 112 | G165 I166 L171 A172 I173 F301 F308 | G165-L169 PolarHBondContact O-N 3.01Å; I166-L169 HydrophobicContact CD1-CB 4.45Å; I166-L169 HydrophobicContact CD1-CD2 4Å; I166-L169 PolarHBondContact O-N 2.84Å; L169-L171 VanDerWaalsContact C-N 3.35Å; L169-L171 PolarHBondContact O-N 3.11Å; L169-A172 WeakPolarHBondContact O-CB 3.3Å; L169-A172 PolarHBondContact O-N 3.42Å; L169-I173 HydrophobicContact CD1-CD1 4.16Å; L169-I173 HydrophobicContact CD1-CG1 4.38Å; L169-I173 HydrophobicContact CD2-CD1 4.49Å; L169-I173 HydrophobicContact CG-CD1 3.91Å; L169-I173 WeakPolarHBondContact O-CG1 3.28Å; L169-I173 PolarHBondContact O-N 2.88Å; L169-F301 HydrophobicContact CD1-CD1 4.2Å; L169-F301 HydrophobicContact CD1-CD2 3.37Å; L169-F301 HydrophobicContact CD1-CE1 4.28Å; L169-F301 HydrophobicContact CD1-CE2 3.47Å; L169-F301 VanDerWaalsContact CD1-CE2 3.47Å; L169-F301 HydrophobicContact CD1-CG 3.78Å; L169-F301 HydrophobicContact CD1-CZ 3.97Å; L169-F308 HydrophobicContact CB-CB 3.9Å; L169-F308 HydrophobicContact CB-CD1 4.37Å; L169-F308 HydrophobicContact CB-CD2 3.97Å; L169-F308 HydrophobicContact CB-CG 3.81Å; L169-F308 HydrophobicContact CD1-CB 4.49Å; L169-F308 HydrophobicContact CD1-CD1 4.22Å; L169-F308 HydrophobicContact CD1-CG 4.4Å; L169-F308 HydrophobicContact CD2-CD1 3.76Å; L169-F308 HydrophobicContact CD2-CD2 4.14Å; L169-F308 HydrophobicContact CD2-CE1 3.71Å; L169-F308 HydrophobicContact CD2-CE2 4.1Å; L169-F308 HydrophobicContact CD2-CG 3.97Å; L169-F308 HydrophobicContact CD2-CZ 3.89Å; L169-F308 HydrophobicContact CG-CD1 4.34Å; L169-F308 HydrophobicContact CG-CG 4.27Å |
| 170 | V | 98.9 | Very high | 96.8 | Very high | 21 Ų | 21 | 25.6 Ų | 25.6 | 13% | 0.127 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.9 | -47.7 | 177.7 | 167.3 | 0 | 0 | 0 | 0 | 110.6 | I166 S167 G168 A172 I173 V174 Y363 | I166-V170 WeakPolarHBondContact O-CG2 3.42Å; I166-V170 PolarHBondContact O-N 3.05Å; S167-V170 PolarHBondContact O-N 3.36Å; G168-V170 PolarHBondContact O-N 2.84Å; V170-A172 VanDerWaalsContact C-N 3.32Å; V170-A172 PolarHBondContact O-N 3.13Å; V170-I173 PolarHBondContact O-N 2.91Å; V170-V174 HydrophobicContact CG1-CG2 4.43Å; V170-V174 WeakPolarHBondContact O-CG2 3.32Å; V170-V174 PolarHBondContact O-N 2.85Å; V170-Y363 HydrophobicContact CG1-CD2 4.43Å |
| 171 | L | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.9 | -43.1 | 175.4 | -68.3 | 177.9 | 0 | 0 | 0 | 111.8 | L108 V112 M116 I121 F124 S167 G168 L169 I173 V174 L175 I366 | L108-L171 HydrophobicContact CD1-CD1 4.12Å; V112-L171 HydrophobicContact CG1-CB 3.4Å; V112-L171 VanDerWaalsContact CG1-CB 3.4Å; V112-L171 HydrophobicContact CG1-CD1 3.82Å; V112-L171 HydrophobicContact CG1-CG 4.26Å; M116-L171 HydrophobicContact CE-CD2 4.32Å; I121-L171 HydrophobicContact CD1-CD1 4.06Å; F124-L171 HydrophobicContact CD1-CD1 3.95Å; F124-L171 HydrophobicContact CD2-CD2 3.86Å; F124-L171 HydrophobicContact CE1-CD1 3.68Å; F124-L171 HydrophobicContact CE1-CD2 4.38Å; F124-L171 HydrophobicContact CE1-CG 4.3Å; F124-L171 HydrophobicContact CE2-CD1 4.44Å; F124-L171 HydrophobicContact CE2-CD2 3.65Å; F124-L171 HydrophobicContact CE2-CG 4.28Å; F124-L171 HydrophobicContact CG-CD1 4.45Å; F124-L171 HydrophobicContact CG-CD2 4.32Å; F124-L171 HydrophobicContact CZ-CD1 3.94Å; F124-L171 HydrophobicContact CZ-CD2 3.93Å; F124-L171 HydrophobicContact CZ-CG 4.04Å; S167-L171 WeakPolarHBondContact O-CG 3.3Å; S167-L171 PolarHBondContact O-N 3.45Å; G168-L171 PolarHBondContact O-N 3.21Å; L169-L171 VanDerWaalsContact C-N 3.35Å; L169-L171 PolarHBondContact O-N 3.11Å; L171-I173 VanDerWaalsContact C-N 3.33Å; L171-I173 PolarHBondContact O-N 3.37Å; L171-V174 PolarHBondContact O-N 3.33Å; L171-L175 VanDerWaalsContact O-CB 3.3Å; L171-L175 WeakPolarHBondContact O-CB 3.49Å; L171-L175 VanDerWaalsContact O-CG 3.22Å; L171-L175 WeakPolarHBondContact O-CG 3.33Å; L171-L175 PolarHBondContact O-N 2.99Å; L171-I366 HydrophobicContact CD2-CB 3.7Å; L171-I366 HydrophobicContact CD2-CD1 3.71Å; L171-I366 HydrophobicContact CD2-CG1 3.55Å; L171-I366 HydrophobicContact CD2-CG2 4.23Å |
| 172 | A | 98.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.8 | -40 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | R115 G168 L169 V170 G176 D302 | R115-A172 VanDerWaalsContact NH2-CA 3.33Å; R115-A172 PolarHBondContact NH2-O 2.83Å; G168-A172 WeakPolarHBondContact O-CB 3.44Å; G168-A172 PolarHBondContact O-N 3.18Å; L169-A172 WeakPolarHBondContact O-CB 3.3Å; L169-A172 PolarHBondContact O-N 3.42Å; V170-A172 VanDerWaalsContact C-N 3.32Å; V170-A172 PolarHBondContact O-N 3.13Å; A172-G176 PolarHBondContact O-N 3.12Å; A172-G176 VanDerWaalsContact O-N 3.13Å; A172-D302 WeakPolarHBondContact CB-O 3.39Å |
| 173 | I | 98.3 | Very high | 93.5 | Very high | 102 Ų | 102 | 39 Ų | 39 | 52% | 0.523 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -66.5 | -49 | 175.5 | -68.6 | 167.9 | 0 | 0 | 0 | 110.4 | L169 V170 L171 L175 G176 F301 | L169-I173 HydrophobicContact CD1-CD1 4.16Å; L169-I173 HydrophobicContact CD1-CG1 4.38Å; L169-I173 HydrophobicContact CD2-CD1 4.49Å; L169-I173 HydrophobicContact CG-CD1 3.91Å; L169-I173 WeakPolarHBondContact O-CG1 3.28Å; L169-I173 PolarHBondContact O-N 2.88Å; V170-I173 PolarHBondContact O-N 2.91Å; L171-I173 VanDerWaalsContact C-N 3.33Å; L171-I173 PolarHBondContact O-N 3.37Å; I173-L175 PolarHBondContact O-N 3.24Å; I173-G176 PolarHBondContact O-N 3.39Å; I173-F301 HydrophobicContact CG1-CB 4.08Å |
| 174 | V | 98.3 | Very high | 91.7 | Very high | 30 Ų | 30 | 42.1 Ų | 42.1 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.3 | -39.8 | -178.2 | 171.2 | 0 | 0 | 0 | 0 | 112 | V170 L171 G176 Y363 I366 I375 | V170-V174 HydrophobicContact CG1-CG2 4.43Å; V170-V174 WeakPolarHBondContact O-CG2 3.32Å; V170-V174 PolarHBondContact O-N 2.85Å; L171-V174 PolarHBondContact O-N 3.33Å; V174-G176 VanDerWaalsContact C-N 3.31Å; V174-Y363 HydrophobicContact CG2-CD2 3.96Å; V174-Y363 HydrophobicContact CG2-CE2 4.15Å; V174-I366 HydrophobicContact CB-CG2 4.32Å; V174-I366 HydrophobicContact CG1-CG1 4.16Å; V174-I366 HydrophobicContact CG1-CG2 4.08Å; V174-I366 HydrophobicContact CG2-CG2 4.01Å; V174-I375 HydrophobicContact CG1-CD1 3.74Å |
| 175 | L | 97.7 | Very high | 89.8 | Confident | 11 Ų | 11 | 46.3 Ų | 46.3 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.5 | -30.1 | 176.3 | -72.2 | 168.5 | 0 | 0 | 0 | 112.3 | V112 R115 M116 L171 I173 I375 R376 | V112-L175 HydrophobicContact CB-CD1 3.72Å; V112-L175 HydrophobicContact CG1-CD1 3.64Å; R115-L175 HydrophobicContact CG-CD1 4.34Å; M116-L175 HydrophobicContact CB-CD1 3.84Å; M116-L175 HydrophobicContact CB-CD2 4.4Å; M116-L175 HydrophobicContact CG-CD1 4.04Å; M116-L175 HydrophobicContact CG-CD2 4.22Å; M116-L175 HydrophobicContact SD-CD1 3.88Å; L171-L175 VanDerWaalsContact O-CB 3.3Å; L171-L175 WeakPolarHBondContact O-CB 3.49Å; L171-L175 VanDerWaalsContact O-CG 3.22Å; L171-L175 WeakPolarHBondContact O-CG 3.33Å; L171-L175 PolarHBondContact O-N 2.99Å; I173-L175 PolarHBondContact O-N 3.24Å; L175-I375 HydrophobicContact CD2-CB 4.26Å; L175-I375 HydrophobicContact CD2-CD1 4Å; L175-I375 HydrophobicContact CD2-CG1 3.99Å; L175-I375 WeakPolarHBondContact CD2-O 3.47Å; L175-R376 HydrophobicContact CD2-CB 3.94Å; L175-R376 HydrophobicContact CD2-CG 4.27Å; L175-R376 PolarHBondContact O-NH1 3.14Å |
| 176 | G | 96.4 | Very high | 88.3 | Confident | 29 Ų | 29 | 49 Ų | 49 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | trans | 75.7 | 179.1 | -170 | 0 | 0 | 0 | 0 | 0 | 113.5 | R115 A172 I173 V174 R376 | R115-G176 PolarHBondContact NE-O 3.43Å; A172-G176 PolarHBondContact O-N 3.12Å; A172-G176 VanDerWaalsContact O-N 3.13Å; I173-G176 PolarHBondContact O-N 3.39Å; V174-G176 VanDerWaalsContact C-N 3.31Å; G176-R376 PolarHBondContact O-NH1 3.08Å | ||
| 177 | R | 95 | Very high | 87.3 | Confident | 140 Ų | 140 | 56.2 Ų | 56.2 | 53% | 0.528 | 28% | 0.278 | S | S | . | . | trans | -70.5 | 149.2 | -172.7 | -57.9 | 175.1 | -176.4 | 172.6 | 0.5 | 113 | Y181 G300 D302 R376 | R177-Y181 HydrophobicContact CB-CD1 4.46Å; R177-Y181 HydrophobicContact CB-CG 4.2Å; R177-Y181 HydrophobicContact CG-CD1 4.26Å; R177-Y181 HydrophobicContact CG-CG 4.4Å; R177-G300 PolarHBondContact NE-O 2.64Å; R177-G300 PolarHBondContact NH2-O 2.86Å; R177-D302 HydrophobicContact CB-CB 4.17Å; R177-D302 HydrophobicContact CG-CB 4.15Å; R177-R376 PolarHBondContact O-NH1 3.4Å; R177-R376 PolarHBondContact O-NH2 3.1Å | ||
| 178 | R | 94.5 | Very high | 86.7 | Confident | 17 Ų | 17 | 58.3 Ų | 58.3 | 6% | 0.064 | 29% | 0.291 | C | S | . | . | trans | -62.1 | 149.3 | 164.2 | -70.4 | 172.3 | -70.4 | -179.7 | 3.7 | 110.5 | E30 R115 E180 Y181 Y186 D302 A304 E382 | E30-R178 IonicContact OE2-NH1 2.91Å; E30-R178 PolarHBondContact OE2-NH1 3.24Å; R115-R178 HydrophobicContact CB-CG 4.38Å; R115-R178 VanDerWaalsContact CD-CG 3.41Å; R115-R178 HydrophobicContact CG-CG 4.48Å; R178-E180 PolarHBondContact O-N 3.33Å; R178-Y181 WeakPolarHBondContact O-CB 3.48Å; R178-Y181 PolarHBondContact O-N 3.46Å; R178-Y186 WeakPolarHBondContact CB-OH 3.2Å; R178-Y186 VanDerWaalsContact CZ-CE1 3.48Å; R178-D302 VanDerWaalsContact CB-OD2 3.22Å; R178-D302 WeakPolarHBondContact CB-OD2 3.38Å; R178-D302 WeakPolarHBondContact CG-OD2 3.49Å; R178-D302 IonicContact CZ-OD1 3.89Å; R178-D302 IonicContact CZ-OD2 3.27Å; R178-D302 PolarHBondContact N-OD2 3.49Å; R178-D302 IonicContact NE-OD1 2.69Å; R178-D302 PolarHBondContact NE-OD1 2.74Å; R178-D302 IonicContact NE-OD2 3.8Å; R178-D302 PolarHBondContact NE-OD2 3.13Å; R178-D302 IonicContact NH2-OD1 2.88Å; R178-D302 PolarHBondContact NH2-OD1 3.37Å; R178-D302 IonicContact NH2-OD2 3.78Å; R178-A304 VanDerWaalsContact NH2-CA 3.34Å; R178-A304 PolarHBondContact NH2-O 3.35Å; R178-A304 VanDerWaalsContact NH2-O 3.14Å; R178-E382 WeakPolarHBondContact CA-OE1 3.49Å; R178-E382 WeakPolarHBondContact CB-OE1 3.28Å | ||
| 179 | R | 85.6 | Confident | 86 | Confident | 105 Ų | 105 | 61.2 Ų | 61.2 | 40% | 0.396 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -43.9 | -179.4 | -175.3 | -178.4 | 72.5 | 160.4 | 2.7 | 112.1 | Y181 H182 E382 A383 | R179-Y181 VanDerWaalsContact C-N 3.34Å; R179-H182 PolarHBondContact O-CE1 3.19Å; R179-H182 PolarHBondContact O-ND1 3.45Å; R179-H182 VanDerWaalsContact O-ND1 3.14Å; R179-E382 PolarHBondContact N-OE1 3.23Å; R179-A383 VanDerWaalsContact CZ-CB 3.47Å |
| 180 | E | 83 | Confident | 85.8 | Confident | 39 Ų | 39 | 61.8 Ų | 61.8 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 10.8 | -173.9 | -67.8 | 175.7 | -139.9 | 0 | 0 | 112.5 | R31 R178 H182 L183 Y186 | R31-E180 IonicContact CZ-OE2 3.3Å; R31-E180 VanDerWaalsContact NH1-CD 3.33Å; R31-E180 IonicContact NH1-OE1 3.15Å; R31-E180 IonicContact NH1-OE2 2.62Å; R31-E180 PolarHBondContact NH1-OE2 2.95Å; R31-E180 IonicContact NH2-OE2 3.03Å; R31-E180 PolarHBondContact NH2-OE2 3.44Å; R178-E180 PolarHBondContact O-N 3.33Å; E180-H182 PolarHBondContact O-N 3.19Å; E180-L183 HydrophobicContact CB-CD1 3.88Å; E180-L183 HydrophobicContact CB-CG 4.36Å; E180-L183 HydrophobicContact CG-CD1 3.81Å; E180-L183 WeakPolarHBondContact O-CB 3.49Å; E180-L183 PolarHBondContact O-N 3.44Å; E180-Y186 WeakPolarHBondContact O-CE2 3.48Å |
| 181 | Y | 80.8 | Confident | 85.7 | Confident | 35 Ų | 35 | 63.2 Ų | 63.2 | 14% | 0.137 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -50.3 | -42.3 | -179.7 | -176.5 | -100 | 0 | 0 | 0 | 113 | R177 R178 R179 L183 G184 Y186 F301 D302 | R177-Y181 HydrophobicContact CB-CD1 4.46Å; R177-Y181 HydrophobicContact CB-CG 4.2Å; R177-Y181 HydrophobicContact CG-CD1 4.26Å; R177-Y181 HydrophobicContact CG-CG 4.4Å; R178-Y181 WeakPolarHBondContact O-CB 3.48Å; R178-Y181 PolarHBondContact O-N 3.46Å; R179-Y181 VanDerWaalsContact C-N 3.34Å; Y181-L183 VanDerWaalsContact C-N 3.29Å; Y181-L183 PolarHBondContact O-N 2.86Å; Y181-G184 PolarHBondContact O-N 3.48Å; Y181-Y186 PolarHBondContact N-OH 3.31Å; Y181-Y186 VanDerWaalsContact N-OH 3.07Å; Y181-F301 PolarHBondContact OH-O 3.48Å; Y181-D302 HydrophobicContact CD2-CB 3.61Å; Y181-D302 VanDerWaalsContact CD2-OD1 3.24Å; Y181-D302 WeakPolarHBondContact CD2-OD1 3.41Å; Y181-D302 HydrophobicContact CE2-CB 3.56Å; Y181-D302 WeakPolarHBondContact CE2-OD1 3.41Å; Y181-D302 HydrophobicContact CG-CB 4.41Å |
| 182 | H | 74.1 | Confident | 85.6 | Confident | 149 Ų | 149 | 67.6 Ų | 67.6 | 69% | 0.69 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -72.9 | -16.4 | -178.4 | 65.3 | -81.7 | 0 | 0 | 0 | 114.2 | R179 E180 G184 | R179-H182 PolarHBondContact O-CE1 3.19Å; R179-H182 PolarHBondContact O-ND1 3.45Å; R179-H182 VanDerWaalsContact O-ND1 3.14Å; E180-H182 PolarHBondContact O-N 3.19Å; H182-G184 PolarHBondContact O-N 2.85Å |
| 183 | L | 72.3 | Confident | 85.6 | Confident | 99 Ų | 99 | 70.4 Ų | 70.4 | 52% | 0.518 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -73.1 | -12.8 | 179.7 | -62.7 | -179.2 | 0 | 0 | 0 | 112.2 | E180 Y181 D185 | E180-L183 HydrophobicContact CB-CD1 3.88Å; E180-L183 HydrophobicContact CB-CG 4.36Å; E180-L183 HydrophobicContact CG-CD1 3.81Å; E180-L183 WeakPolarHBondContact O-CB 3.49Å; E180-L183 PolarHBondContact O-N 3.44Å; Y181-L183 VanDerWaalsContact C-N 3.29Å; Y181-L183 PolarHBondContact O-N 2.86Å; L183-D185 PolarHBondContact O-N 3.18Å |
| 184 | G | 60.3 | Low | 85.6 | Confident | 65 Ų | 65 | 65.5 Ų | 65.5 | 67% | 0.67 | 33% | 0.332 | S | S | * | . | trans | 68.9 | -22.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y181 H182 Y186 | Y181-G184 PolarHBondContact O-N 3.48Å; H182-G184 PolarHBondContact O-N 2.85Å; G184-Y186 PolarHBondContact O-N 2.88Å | ||
| 185 | D | 59.1 | Low | 85.6 | Confident | 88 Ų | 88 | 67.3 Ų | 67.3 | 47% | 0.471 | 34% | 0.343 | S | S | . | . | trans | -90.1 | 76.3 | -178.6 | -106 | -29.3 | 0 | 0 | 0 | 111 | R31 L183 R187 | R31-D185 PolarHBondContact NH2-O 3.15Å; L183-D185 PolarHBondContact O-N 3.18Å; D185-R187 IonicContact OD1-CZ 3.59Å; D185-R187 IonicContact OD1-NE 3.89Å; D185-R187 PolarHBondContact OD1-NE 3.45Å; D185-R187 IonicContact OD1-NH2 3.55Å; D185-R187 PolarHBondContact OD1-NH2 3.47Å; D185-R187 IonicContact OD2-CZ 2.78Å; D185-R187 IonicContact OD2-NE 2.62Å; D185-R187 IonicContact OD2-NH2 3.84Å; D185-R187 PolarHBondContact OD2-NH2 3.33Å; D185-R187 VanDerWaalsContact OD2-NH2 3.15Å | ||
| 186 | Y | 67.6 | Low | 85.7 | Confident | 56 Ų | 56 | 70.4 Ų | 70.4 | 22% | 0.22 | 36% | 0.359 | C | S | . | . | trans | -95.9 | 84.2 | 157.3 | -73.7 | -95.9 | 0 | 0 | 0 | 108.1 | R31 R178 E180 Y181 G184 | R31-Y186 HydrophobicContact CG-CD1 4.32Å; R31-Y186 VanDerWaalsContact CZ-CE1 3.49Å; R178-Y186 WeakPolarHBondContact CB-OH 3.2Å; R178-Y186 VanDerWaalsContact CZ-CE1 3.48Å; E180-Y186 WeakPolarHBondContact O-CE2 3.48Å; Y181-Y186 PolarHBondContact N-OH 3.31Å; Y181-Y186 VanDerWaalsContact N-OH 3.07Å; G184-Y186 PolarHBondContact O-N 2.88Å | ||
| 187 | R | 77.7 | Confident | 85.8 | Confident | 175 Ų | 175 | 69 Ų | 69 | 66% | 0.66 | 35% | 0.345 | S | S | * | . | trans | -79.9 | 130.7 | 174 | -63.4 | -173.6 | -171.3 | -179.3 | 6.7 | 109.3 | D185 H189 | D185-R187 IonicContact OD1-CZ 3.59Å; D185-R187 IonicContact OD1-NE 3.89Å; D185-R187 PolarHBondContact OD1-NE 3.45Å; D185-R187 IonicContact OD1-NH2 3.55Å; D185-R187 PolarHBondContact OD1-NH2 3.47Å; D185-R187 IonicContact OD2-CZ 2.78Å; D185-R187 IonicContact OD2-NE 2.62Å; D185-R187 IonicContact OD2-NH2 3.84Å; D185-R187 PolarHBondContact OD2-NH2 3.33Å; D185-R187 VanDerWaalsContact OD2-NH2 3.15Å; R187-H189 PolarHBondContact O-N 3.45Å | ||
| 188 | P | 85.4 | Confident | 86 | Confident | 44 Ų | 44 | 62.6 Ų | 62.6 | 29% | 0.286 | 32% | 0.321 | S | S | . | . | trans | -50.3 | 132.5 | 168.8 | -27.6 | 35.5 | 0 | 0 | 0 | 110.2 | G28 L29 V191 V252 | G28-P188 CarbonylContact O-C 3.48Å; G28-P188 WeakPolarHBondContact O-CA 3.37Å; G28-P188 WeakPolarHBondContact O-CB 3.36Å; L29-P188 HydrophobicContact CD2-CG 4.4Å; P188-V191 HydrophobicContact CB-CG2 4.13Å; P188-V252 HydrophobicContact CG-CG2 4.08Å | ||
| 189 | H | 85.4 | Confident | 86.2 | Confident | 60 Ų | 60 | 63.8 Ų | 63.8 | 28% | 0.278 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -63.3 | -49.8 | 174.8 | 163 | 9.9 | 0 | 0 | 0 | 110.7 | G28 E30 R32 R187 Q395 | G28-H189 PolarHBondContact O-N 3.32Å; G28-H189 VanDerWaalsContact O-N 3.12Å; E30-H189 WeakPolarHBondContact O-CB 3.19Å; E30-H189 PolarHBondContact O-N 3.21Å; R32-H189 HydrophobicContact CB-CB 4.41Å; R187-H189 PolarHBondContact O-N 3.45Å; H189-Q395 PolarHBondContact NE2-NE2 2.84Å; H189-Q395 PolarHBondContact NE2-OE1 3.12Å; H189-Q395 VanDerWaalsContact NE2-OE1 3.12Å |
| 190 | N | 94.1 | Very high | 86.8 | Confident | 32 Ų | 32 | 61.2 Ų | 61.2 | 17% | 0.171 | 33% | 0.333 | C | S | . | . | trans | -138.5 | 86.8 | -166.4 | -169.3 | -18.3 | 0 | 0 | 0 | 110.6 | G28 P192 F193 V194 | G28-N190 WeakPolarHBondContact CA-O 3.3Å; G28-N190 PolarHBondContact O-N 3.18Å; G28-N190 VanDerWaalsContact O-N 3.14Å; N190-P192 VanDerWaalsContact C-N 3.35Å; N190-P192 WeakPolarHBondContact OD1-CB 3.5Å; N190-P192 WeakPolarHBondContact OD1-CD 3.09Å; N190-F193 HydrophobicContact CB-CB 4.05Å; N190-F193 HydrophobicContact CB-CD2 4.25Å; N190-F193 HydrophobicContact CB-CG 4.07Å; N190-F193 WeakPolarHBondContact ND2-CD1 3.21Å; N190-F193 WeakPolarHBondContact ND2-CE1 3.39Å; N190-F193 VanDerWaalsContact ND2-CG 3.3Å; N190-F193 WeakPolarHBondContact ND2-CG 3.21Å; N190-F193 WeakPolarHBondContact O-CB 3.49Å; N190-F193 PolarHBondContact O-N 2.61Å; N190-F193 PolarHBondContact OD1-N 3.26Å; N190-V194 PolarHBondContact O-N 3.44Å | ||
| 191 | V | 96.5 | Very high | 87.6 | Confident | 51 Ų | 51 | 59.5 Ų | 59.5 | 31% | 0.309 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.3 | -40.5 | 178 | 179.2 | 0 | 0 | 0 | 0 | 112.5 | P188 F193 V194 V195 V251 V252 | P188-V191 HydrophobicContact CB-CG2 4.13Å; V191-F193 VanDerWaalsContact C-N 3.26Å; V191-F193 PolarHBondContact O-N 2.56Å; V191-V194 WeakPolarHBondContact O-CA 3.29Å; V191-V194 VanDerWaalsContact O-CB 3.29Å; V191-V194 WeakPolarHBondContact O-CB 3.29Å; V191-V194 PolarHBondContact O-N 3.39Å; V191-V195 PolarHBondContact O-N 3.03Å; V191-V251 HydrophobicContact CG1-CB 3.86Å; V191-V251 HydrophobicContact CG1-CG1 3.69Å; V191-V252 HydrophobicContact CG1-CG2 4.09Å; V191-V252 HydrophobicContact CG2-CG2 4.1Å |
| 192 | P | 97.9 | Very high | 88.4 | Confident | 92 Ų | 92 | 59.9 Ų | 59.9 | 60% | 0.597 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -55.1 | -35 | 170.6 | -29.4 | 34.8 | 0 | 0 | 0 | 114.9 | N190 V195 L196 | N190-P192 VanDerWaalsContact C-N 3.35Å; N190-P192 WeakPolarHBondContact OD1-CB 3.5Å; N190-P192 WeakPolarHBondContact OD1-CD 3.09Å; P192-V195 PolarHBondContact O-N 3.42Å; P192-L196 PolarHBondContact O-N 2.92Å |
| 193 | F | 97.5 | Very high | 89.6 | Confident | 59 Ų | 59 | 58 Ų | 58 | 26% | 0.259 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69 | -34.4 | 173.8 | -80.2 | 11.9 | 0 | 0 | 0 | 112.4 | F24 I35 N190 V191 V195 L196 G197 | F24-F193 HydrophobicContact CD1-CB 4.41Å; F24-F193 HydrophobicContact CD1-CD1 4.3Å; F24-F193 AromaticContact CD1-CD2 3.87Å; F24-F193 HydrophobicContact CD1-CD2 3.87Å; F24-F193 HydrophobicContact CD1-CE2 4.12Å; F24-F193 AromaticContact CD1-CG 3.96Å; F24-F193 HydrophobicContact CD1-CG 3.96Å; F24-F193 HydrophobicContact CD1-CZ 4.44Å; F24-F193 HydrophobicContact CE1-CD2 4.31Å; F24-F193 HydrophobicContact CE1-CE1 4.36Å; F24-F193 HydrophobicContact CE1-CE2 4.09Å; F24-F193 HydrophobicContact CE1-CZ 4.12Å; I35-F193 HydrophobicContact CD1-CD2 4.21Å; I35-F193 HydrophobicContact CD1-CE2 4.23Å; N190-F193 HydrophobicContact CB-CB 4.05Å; N190-F193 HydrophobicContact CB-CD2 4.25Å; N190-F193 HydrophobicContact CB-CG 4.07Å; N190-F193 WeakPolarHBondContact ND2-CD1 3.21Å; N190-F193 WeakPolarHBondContact ND2-CE1 3.39Å; N190-F193 VanDerWaalsContact ND2-CG 3.3Å; N190-F193 WeakPolarHBondContact ND2-CG 3.21Å; N190-F193 WeakPolarHBondContact O-CB 3.49Å; N190-F193 PolarHBondContact O-N 2.61Å; N190-F193 PolarHBondContact OD1-N 3.26Å; V191-F193 VanDerWaalsContact C-N 3.26Å; V191-F193 PolarHBondContact O-N 2.56Å; F193-V195 VanDerWaalsContact C-N 3.33Å; F193-L196 PolarHBondContact O-N 3.43Å; F193-G197 PolarHBondContact O-N 2.86Å |
| 194 | V | 98.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.3 | -47.6 | 171.1 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | F25 L29 N190 V191 L196 G197 T198 C255 | F25-V194 HydrophobicContact CD2-CG1 3.69Å; F25-V194 HydrophobicContact CE2-CG1 3.53Å; L29-V194 HydrophobicContact CD2-CG1 4.2Å; L29-V194 HydrophobicContact CD2-CG2 3.93Å; L29-V194 HydrophobicContact CG-CG1 4.46Å; L29-V194 HydrophobicContact CG-CG2 3.98Å; N190-V194 PolarHBondContact O-N 3.44Å; V191-V194 WeakPolarHBondContact O-CA 3.29Å; V191-V194 VanDerWaalsContact O-CB 3.29Å; V191-V194 WeakPolarHBondContact O-CB 3.29Å; V191-V194 PolarHBondContact O-N 3.39Å; V194-L196 PolarHBondContact O-N 3.49Å; V194-G197 PolarHBondContact O-N 3.37Å; V194-T198 WeakPolarHBondContact O-CB 3.18Å; V194-T198 PolarHBondContact O-N 3.09Å; V194-T198 PolarHBondContact O-OG1 3.49Å; V194-T198 VanDerWaalsContact O-OG1 3.05Å; V194-C255 HydrophobicContact CG1-CB 3.92Å |
| 195 | V | 98.7 | Very high | 92.7 | Very high | 67 Ų | 67 | 50.4 Ų | 50.4 | 41% | 0.406 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 178 | 177.9 | 0 | 0 | 0 | 0 | 111.8 | V191 P192 F193 T198 G199 V251 | V191-V195 PolarHBondContact O-N 3.03Å; P192-V195 PolarHBondContact O-N 3.42Å; F193-V195 VanDerWaalsContact C-N 3.33Å; V195-T198 PolarHBondContact O-N 3.42Å; V195-G199 PolarHBondContact O-N 2.84Å; V195-V251 HydrophobicContact CG2-CG1 3.29Å |
| 196 | L | 98.7 | Very high | 94.6 | Very high | 76 Ų | 76 | 48.3 Ų | 48.3 | 40% | 0.398 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.8 | -49.9 | 177.1 | 176.1 | 62.7 | 0 | 0 | 0 | 111.1 | F24 P192 F193 V194 G199 L200 | F24-L196 HydrophobicContact CD1-CD2 3.88Å; F24-L196 HydrophobicContact CD2-CD2 4.3Å; F24-L196 HydrophobicContact CE1-CD2 3.96Å; F24-L196 HydrophobicContact CE2-CD2 4.38Å; F24-L196 HydrophobicContact CG-CD2 4.06Å; F24-L196 HydrophobicContact CZ-CD2 4.22Å; P192-L196 PolarHBondContact O-N 2.92Å; F193-L196 PolarHBondContact O-N 3.43Å; V194-L196 PolarHBondContact O-N 3.49Å; L196-G199 PolarHBondContact O-N 2.91Å; L196-L200 HydrophobicContact CD1-CD1 3.93Å; L196-L200 HydrophobicContact CD1-CG 4.23Å; L196-L200 HydrophobicContact CG-CD1 4.17Å; L196-L200 WeakPolarHBondContact O-CG 3.45Å; L196-L200 PolarHBondContact O-N 2.74Å |
| 197 | G | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.2 | -47.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A21 F193 V194 G199 L200 L201 | A21-G197 WeakPolarHBondContact O-CA 3.43Å; F193-G197 PolarHBondContact O-N 2.86Å; V194-G197 PolarHBondContact O-N 3.37Å; G197-G199 PolarHBondContact O-N 3.08Å; G197-L200 PolarHBondContact O-N 3.41Å; G197-L201 VanDerWaalsContact O-CB 3.32Å; G197-L201 WeakPolarHBondContact O-CB 3.26Å; G197-L201 WeakPolarHBondContact O-CG 3.47Å; G197-L201 PolarHBondContact O-N 3.1Å |
| 198 | T | 98.9 | Very high | 97.1 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62 | -43.7 | 177.4 | -61.9 | 0 | 0 | 0 | 0 | 112.7 | F25 V194 V195 L200 L201 W202 C255 A258 V259 | F25-T198 WeakPolarHBondContact CD2-OG1 3.22Å; F25-T198 WeakPolarHBondContact CE2-OG1 3.25Å; V194-T198 WeakPolarHBondContact O-CB 3.18Å; V194-T198 PolarHBondContact O-N 3.09Å; V194-T198 PolarHBondContact O-OG1 3.49Å; V194-T198 VanDerWaalsContact O-OG1 3.05Å; V195-T198 PolarHBondContact O-N 3.42Å; T198-L200 PolarHBondContact O-N 2.94Å; T198-L201 PolarHBondContact O-N 2.89Å; T198-W202 WeakPolarHBondContact O-CB 3.16Å; T198-W202 PolarHBondContact O-N 3.27Å; T198-C255 HydrophobicContact CG2-CB 4.08Å; T198-C255 WeakPolarHBondContact OG1-CB 3.22Å; T198-A258 HydrophobicContact CG2-CB 4.23Å; T198-V259 HydrophobicContact CG2-CG2 4.36Å |
| 199 | G | 98.8 | Very high | 97.7 | Very high | 43 Ų | 43 | 35.2 Ų | 35.2 | 44% | 0.443 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V195 L196 G197 F203 | V195-G199 PolarHBondContact O-N 2.84Å; L196-G199 PolarHBondContact O-N 2.91Å; G197-G199 PolarHBondContact O-N 3.08Å; G199-F203 WeakPolarHBondContact O-CB 3.47Å; G199-F203 PolarHBondContact O-N 2.74Å |
| 200 | L | 98.8 | Very high | 98.3 | Very high | 51 Ų | 51 | 32.4 Ų | 32.4 | 27% | 0.267 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -71.3 | -35.7 | 177.2 | -66.2 | 176.3 | 0 | 0 | 0 | 112.6 | L17 A21 L196 G197 T198 F203 G204 | L17-L200 HydrophobicContact CD2-CD2 4.3Å; A21-L200 HydrophobicContact CB-CB 3.45Å; A21-L200 VanDerWaalsContact CB-CB 3.45Å; A21-L200 HydrophobicContact CB-CD1 4.41Å; L196-L200 HydrophobicContact CD1-CD1 3.93Å; L196-L200 HydrophobicContact CD1-CG 4.23Å; L196-L200 HydrophobicContact CG-CD1 4.17Å; L196-L200 WeakPolarHBondContact O-CG 3.45Å; L196-L200 PolarHBondContact O-N 2.74Å; G197-L200 PolarHBondContact O-N 3.41Å; T198-L200 PolarHBondContact O-N 2.94Å; L200-F203 PolarHBondContact O-N 2.82Å; L200-G204 PolarHBondContact O-N 3.24Å |
| 201 | L | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.9 | -49.2 | 172.5 | -77.7 | 169.8 | 0 | 0 | 0 | 110.8 | M18 A21 L22 F25 G197 T198 F203 G204 W205 | M18-L201 HydrophobicContact CB-CD2 3.92Å; M18-L201 HydrophobicContact CE-CD2 4.35Å; M18-L201 HydrophobicContact CG-CD2 4.41Å; M18-L201 WeakPolarHBondContact O-CD2 3.48Å; A21-L201 HydrophobicContact CB-CD2 4.08Å; A21-L201 HydrophobicContact CB-CG 3.87Å; L22-L201 HydrophobicContact CB-CD2 4.25Å; L22-L201 HydrophobicContact CD1-CD1 4.1Å; F25-L201 HydrophobicContact CB-CD1 4.04Å; F25-L201 HydrophobicContact CG-CD1 4.16Å; G197-L201 VanDerWaalsContact O-CB 3.32Å; G197-L201 WeakPolarHBondContact O-CB 3.26Å; G197-L201 WeakPolarHBondContact O-CG 3.47Å; G197-L201 PolarHBondContact O-N 3.1Å; T198-L201 PolarHBondContact O-N 2.89Å; L201-F203 VanDerWaalsContact C-N 3.32Å; L201-F203 PolarHBondContact O-N 2.99Å; L201-G204 PolarHBondContact O-N 2.67Å; L201-W205 HydrophobicContact CB-CE3 4.2Å; L201-W205 HydrophobicContact CB-CZ3 4.17Å; L201-W205 HydrophobicContact CD2-CZ3 4.16Å; L201-W205 WeakPolarHBondContact O-CB 3.25Å; L201-W205 PolarHBondContact O-N 3.33Å |
| 202 | W | 98.9 | Very high | 98.6 | Very high | 43 Ų | 43 | 29.2 Ų | 29.2 | 16% | 0.163 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.1 | -47.6 | 177 | -167 | -36.6 | 0 | 0 | 0 | 110.8 | T198 G204 W205 F206 N228 A231 A232 M235 A258 L262 | T198-W202 WeakPolarHBondContact O-CB 3.16Å; T198-W202 PolarHBondContact O-N 3.27Å; W202-G204 PolarHBondContact O-N 3.09Å; W202-W205 WeakPolarHBondContact O-CB 3.41Å; W202-W205 PolarHBondContact O-N 3.38Å; W202-W205 VanDerWaalsContact O-N 3.17Å; W202-F206 AromaticContact CD1-CE1 3.85Å; W202-F206 AromaticContact CD1-CZ 3.5Å; W202-F206 AromaticContact NE1-CE1 3.81Å; W202-F206 AromaticContact NE1-CZ 3.53Å; W202-N228 WeakPolarHBondContact CZ2-OD1 3.5Å; W202-N228 PolarHBondContact NE1-OD1 3.08Å; W202-N228 VanDerWaalsContact NE1-OD1 3.16Å; W202-A231 HydrophobicContact CD2-CB 4.15Å; W202-A231 HydrophobicContact CE3-CB 4.41Å; W202-A231 HydrophobicContact CH2-CB 3.78Å; W202-A231 HydrophobicContact CZ2-CB 3.47Å; W202-A231 VanDerWaalsContact CZ2-CB 3.47Å; W202-A231 HydrophobicContact CZ3-CB 4.24Å; W202-A232 HydrophobicContact CH2-CB 4.25Å; W202-A232 HydrophobicContact CZ2-CB 4.42Å; W202-M235 HydrophobicContact CZ3-CE 3.85Å; W202-M235 HydrophobicContact CZ3-SD 4.3Å; W202-A258 HydrophobicContact CE3-CB 3.75Å; W202-A258 HydrophobicContact CZ3-CB 3.57Å; W202-L262 HydrophobicContact CB-CD1 4.1Å; W202-L262 HydrophobicContact CG-CD1 4.24Å |
| 203 | F | 98.8 | Very high | 98.7 | Very high | 109 Ų | 109 | 25.6 Ų | 25.6 | 48% | 0.478 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -60.2 | -44.5 | 177.1 | -177.5 | -121.1 | 0 | 0 | 0 | 112.5 | L14 L17 G199 L200 L201 W205 F206 | L14-F203 HydrophobicContact CD2-CD1 3.81Å; L14-F203 HydrophobicContact CD2-CE1 3.28Å; L14-F203 HydrophobicContact CD2-CE2 4.4Å; L14-F203 HydrophobicContact CD2-CZ 3.63Å; L17-F203 HydrophobicContact CD2-CD1 3.9Å; L17-F203 HydrophobicContact CD2-CE1 4.37Å; G199-F203 WeakPolarHBondContact O-CB 3.47Å; G199-F203 PolarHBondContact O-N 2.74Å; L200-F203 PolarHBondContact O-N 2.82Å; L201-F203 VanDerWaalsContact C-N 3.32Å; L201-F203 PolarHBondContact O-N 2.99Å; F203-W205 VanDerWaalsContact C-N 3.29Å; F203-W205 PolarHBondContact O-N 3.45Å; F203-F206 HydrophobicContact CD2-CD2 4.07Å; F203-F206 HydrophobicContact CD2-CE2 4.41Å; F203-F206 WeakPolarHBondContact O-CB 3.43Å; F203-F206 WeakPolarHBondContact O-CD2 3.16Å; F203-F206 PolarHBondContact O-N 3.11Å |
| 204 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -34.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L14 M18 L200 L201 W202 F206 G207 F208 | L14-G204 VanDerWaalsContact O-CA 3.28Å; L14-G204 WeakPolarHBondContact O-CA 3.12Å; M18-G204 VanDerWaalsContact SD-C 3.51Å; L200-G204 PolarHBondContact O-N 3.24Å; L201-G204 PolarHBondContact O-N 2.67Å; W202-G204 PolarHBondContact O-N 3.09Å; G204-F206 PolarHBondContact O-N 2.91Å; G204-G207 WeakPolarHBondContact O-CA 3.4Å; G204-G207 PolarHBondContact O-N 3.5Å; G204-F208 PolarHBondContact O-N 3.39Å |
| 205 | W | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.015 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.2 | -23.4 | 179.9 | -121.8 | -73.9 | 0 | 0 | 0 | 113.7 | M18 H161 L201 W202 F203 G207 F208 N209 T227 L262 V263 T266 | M18-W205 HydrophobicContact CE-CD2 3.5Å; M18-W205 VanDerWaalsContact CE-CD2 3.5Å; M18-W205 HydrophobicContact CE-CE3 3.24Å; M18-W205 HydrophobicContact CE-CG 4.15Å; M18-W205 HydrophobicContact CE-CH2 4.08Å; M18-W205 HydrophobicContact CE-CZ2 4.3Å; M18-W205 HydrophobicContact CE-CZ3 3.55Å; H161-W205 AromaticContact CE1-CZ2 3.47Å; H161-W205 VanDerWaalsContact CE1-CZ2 3.47Å; H161-W205 WeakPolarHBondContact CE1-CZ2 3.47Å; H161-W205 AromaticContact NE2-CZ2 3.61Å; L201-W205 HydrophobicContact CB-CE3 4.2Å; L201-W205 HydrophobicContact CB-CZ3 4.17Å; L201-W205 HydrophobicContact CD2-CZ3 4.16Å; L201-W205 WeakPolarHBondContact O-CB 3.25Å; L201-W205 PolarHBondContact O-N 3.33Å; W202-W205 WeakPolarHBondContact O-CB 3.41Å; W202-W205 PolarHBondContact O-N 3.38Å; W202-W205 VanDerWaalsContact O-N 3.17Å; F203-W205 VanDerWaalsContact C-N 3.29Å; F203-W205 PolarHBondContact O-N 3.45Å; W205-G207 VanDerWaalsContact C-N 3.34Å; W205-F208 HydrophobicContact CG-CB 4.42Å; W205-F208 PolarHBondContact O-N 2.93Å; W205-N209 PolarHBondContact O-N 3.42Å; W205-T227 HydrophobicContact CB-CG2 4.24Å; W205-L262 HydrophobicContact CB-CD1 4.38Å; W205-L262 HydrophobicContact CB-CD2 3.82Å; W205-L262 HydrophobicContact CD2-CB 3.67Å; W205-L262 HydrophobicContact CD2-CD1 3.96Å; W205-L262 HydrophobicContact CD2-CD2 4.28Å; W205-L262 HydrophobicContact CD2-CG 4.18Å; W205-L262 HydrophobicContact CE3-CB 4.04Å; W205-L262 HydrophobicContact CE3-CD1 3.68Å; W205-L262 HydrophobicContact CE3-CG 4.37Å; W205-L262 HydrophobicContact CG-CB 4.03Å; W205-L262 HydrophobicContact CG-CD1 4.27Å; W205-L262 HydrophobicContact CG-CD2 3.83Å; W205-L262 HydrophobicContact CG-CG 4.26Å; W205-L262 HydrophobicContact CH2-CB 4.36Å; W205-L262 HydrophobicContact CZ2-CB 4Å; W205-L262 HydrophobicContact CZ3-CB 4.38Å; W205-L262 HydrophobicContact CZ3-CD1 4.26Å; W205-L262 PolarHBondContact NE1-O 2.92Å; W205-V263 HydrophobicContact CH2-CG2 4.21Å; W205-V263 HydrophobicContact CZ2-CG2 4.11Å; W205-T266 PolarHBondContact NE1-OG1 3.28Å; W205-T266 VanDerWaalsContact NE1-OG1 3.09Å |
| 206 | F | 98.7 | Very high | 98.6 | Very high | 44 Ų | 44 | 25.6 Ų | 25.6 | 19% | 0.193 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64 | -40.6 | 169.9 | -62.4 | -38.2 | 0 | 0 | 0 | 111.9 | W202 F203 G204 G210 M224 N228 | W202-F206 AromaticContact CD1-CE1 3.85Å; W202-F206 AromaticContact CD1-CZ 3.5Å; W202-F206 AromaticContact NE1-CE1 3.81Å; W202-F206 AromaticContact NE1-CZ 3.53Å; F203-F206 HydrophobicContact CD2-CD2 4.07Å; F203-F206 HydrophobicContact CD2-CE2 4.41Å; F203-F206 WeakPolarHBondContact O-CB 3.43Å; F203-F206 WeakPolarHBondContact O-CD2 3.16Å; F203-F206 PolarHBondContact O-N 3.11Å; G204-F206 PolarHBondContact O-N 2.91Å; F206-G210 WeakPolarHBondContact O-CA 3.24Å; F206-G210 PolarHBondContact O-N 3.35Å; F206-M224 HydrophobicContact CB-CE 3.84Å; F206-M224 HydrophobicContact CD1-CE 4.43Å; F206-M224 HydrophobicContact CG-CE 4.1Å; F206-N228 HydrophobicContact CE1-CB 3.95Å; F206-N228 HydrophobicContact CZ-CB 4.46Å |
| 207 | G | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.9 | -37.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G204 W205 G211 | G204-G207 WeakPolarHBondContact O-CA 3.4Å; G204-G207 PolarHBondContact O-N 3.5Å; W205-G207 VanDerWaalsContact C-N 3.34Å; G207-G211 WeakPolarHBondContact O-CA 3.36Å; G207-G211 PolarHBondContact O-N 2.8Å |
| 208 | F | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.8 | -59.6 | 179.2 | -162.9 | -77.7 | 0 | 0 | 0 | 112 | V15 M18 F100 I103 A155 V160 G204 W205 S212 T266 | V15-F208 HydrophobicContact CG1-CD2 3.77Å; V15-F208 HydrophobicContact CG1-CE2 4.28Å; V15-F208 VanDerWaalsContact CG2-CA 3.47Å; V15-F208 HydrophobicContact CG2-CB 3.92Å; V15-F208 HydrophobicContact CG2-CD2 4.11Å; V15-F208 HydrophobicContact CG2-CG 4.36Å; M18-F208 HydrophobicContact CE-CD2 3.82Å; M18-F208 HydrophobicContact CE-CE2 4.4Å; M18-F208 HydrophobicContact CE-CG 4.37Å; M18-F208 HydrophobicContact SD-CB 3.87Å; M18-F208 HydrophobicContact SD-CD2 3.59Å; M18-F208 VanDerWaalsContact SD-CD2 3.59Å; M18-F208 HydrophobicContact SD-CG 4.12Å; F100-F208 HydrophobicContact CD1-CD2 4.33Å; F100-F208 AromaticContact CD1-CE1 3.91Å; F100-F208 HydrophobicContact CD1-CE1 3.91Å; F100-F208 AromaticContact CD1-CE2 3.6Å; F100-F208 HydrophobicContact CD1-CE2 3.6Å; F100-F208 AromaticContact CD1-CZ 3.37Å; F100-F208 HydrophobicContact CD1-CZ 3.37Å; F100-F208 AromaticContact CE1-CD1 3.74Å; F100-F208 HydrophobicContact CE1-CD1 3.74Å; F100-F208 HydrophobicContact CE1-CD2 4.01Å; F100-F208 AromaticContact CE1-CE1 3.43Å; F100-F208 HydrophobicContact CE1-CE1 3.43Å; F100-F208 VanDerWaalsContact CE1-CE1 3.43Å; F100-F208 AromaticContact CE1-CE2 3.68Å; F100-F208 HydrophobicContact CE1-CE2 3.68Å; F100-F208 HydrophobicContact CE1-CG 4.03Å; F100-F208 AromaticContact CE1-CZ 3.39Å; F100-F208 HydrophobicContact CE1-CZ 3.39Å; F100-F208 HydrophobicContact CG-CE2 4.14Å; F100-F208 HydrophobicContact CG-CZ 4.31Å; F100-F208 HydrophobicContact CZ-CD1 4.16Å; F100-F208 HydrophobicContact CZ-CD2 4.18Å; F100-F208 HydrophobicContact CZ-CE1 4.29Å; F100-F208 HydrophobicContact CZ-CE2 4.25Å; F100-F208 HydrophobicContact CZ-CG 4.12Å; F100-F208 HydrophobicContact CZ-CZ 4.33Å; I103-F208 HydrophobicContact CG2-CE2 3.83Å; A155-F208 HydrophobicContact CB-CD1 3.9Å; A155-F208 HydrophobicContact CB-CE1 3.85Å; A155-F208 WeakPolarHBondContact O-CE1 3.37Å; A155-F208 WeakPolarHBondContact O-CZ 3.45Å; V160-F208 HydrophobicContact CB-CZ 4.37Å; V160-F208 HydrophobicContact CG1-CZ 4.18Å; V160-F208 HydrophobicContact CG2-CZ 3.93Å; G204-F208 PolarHBondContact O-N 3.39Å; W205-F208 HydrophobicContact CG-CB 4.42Å; W205-F208 PolarHBondContact O-N 2.93Å; F208-S212 PolarHBondContact O-N 3.26Å; F208-S212 PolarHBondContact O-OG 3.46Å; F208-T266 HydrophobicContact CD1-CG2 4.35Å; F208-T266 HydrophobicContact CE1-CG2 3.71Å |
| 209 | N | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -79.4 | -50.1 | -179.2 | -71.4 | -7.2 | 0 | 0 | 0 | 110.8 | F154 A155 W205 G211 S212 T227 A269 | F154-N209 WeakPolarHBondContact CE1-O 3.23Å; A155-N209 VanDerWaalsContact CB-OD1 3.3Å; A155-N209 WeakPolarHBondContact CB-OD1 3.47Å; W205-N209 PolarHBondContact O-N 3.42Å; N209-G211 VanDerWaalsContact C-N 3.32Å; N209-G211 PolarHBondContact O-N 3.42Å; N209-S212 WeakPolarHBondContact O-CB 3.31Å; N209-S212 PolarHBondContact O-N 3.15Å; N209-T227 HydrophobicContact CB-CG2 4.45Å; N209-T227 WeakPolarHBondContact CB-OG1 3.48Å; N209-T227 PolarHBondContact ND2-OG1 2.82Å; N209-A269 HydrophobicContact CB-CB 3.95Å |
| 210 | G | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.8 | -40.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F7 F206 S212 A213 A220 | F7-G210 WeakPolarHBondContact CZ-O 3.33Å; F206-G210 WeakPolarHBondContact O-CA 3.24Å; F206-G210 PolarHBondContact O-N 3.35Å; G210-S212 VanDerWaalsContact C-N 3.28Å; G210-S212 PolarHBondContact O-N 2.91Å; G210-A213 WeakPolarHBondContact O-CB 3.42Å; G210-A213 PolarHBondContact O-N 3.43Å; G210-A220 WeakPolarHBondContact O-CB 3.46Å |
| 211 | G | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.4 | -22.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I8 C11 F96 G207 N209 A213 L214 | I8-G211 WeakPolarHBondContact CD1-O 3.21Å; C11-G211 VanDerWaalsContact SG-CA 3.58Å; F96-G211 VanDerWaalsContact CZ-C 3.42Å; G207-G211 WeakPolarHBondContact O-CA 3.36Å; G207-G211 PolarHBondContact O-N 2.8Å; N209-G211 VanDerWaalsContact C-N 3.32Å; N209-G211 PolarHBondContact O-N 3.42Å; G211-A213 PolarHBondContact O-N 2.94Å; G211-L214 WeakPolarHBondContact O-CA 3.49Å; G211-L214 PolarHBondContact O-N 3.18Å |
| 212 | S | 98.7 | Very high | 98.5 | Very high | 17 Ų | 17 | 32.4 Ų | 32.4 | 12% | 0.119 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -8.3 | 177.2 | -62.5 | 0 | 0 | 0 | 0 | 113.5 | F154 A155 F208 N209 G210 L214 | F154-S212 VanDerWaalsContact O-CB 3.27Å; F154-S212 WeakPolarHBondContact O-CB 3.11Å; A155-S212 WeakPolarHBondContact CB-OG 3.24Å; F208-S212 PolarHBondContact O-N 3.26Å; F208-S212 PolarHBondContact O-OG 3.46Å; N209-S212 WeakPolarHBondContact O-CB 3.31Å; N209-S212 PolarHBondContact O-N 3.15Å; G210-S212 VanDerWaalsContact C-N 3.28Å; G210-S212 PolarHBondContact O-N 2.91Å; S212-L214 PolarHBondContact O-N 3.37Å |
| 213 | A | 98.2 | Very high | 98.5 | Very high | 16 Ų | 16 | 30.3 Ų | 30.3 | 13% | 0.132 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -16.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F154 G210 G211 A215 L219 A220 | F154-A213 HydrophobicContact CZ-CB 4.17Å; G210-A213 WeakPolarHBondContact O-CB 3.42Å; G210-A213 PolarHBondContact O-N 3.43Å; G211-A213 PolarHBondContact O-N 2.94Å; A213-A215 PolarHBondContact O-N 2.95Å; A213-L219 HydrophobicContact CB-CB 4.26Å; A213-L219 HydrophobicContact CB-CD2 4.26Å; A213-L219 HydrophobicContact CB-CG 4.1Å; A213-A220 HydrophobicContact CB-CB 3.83Å |
| 214 | L | 98 | Very high | 98.5 | Very high | 57 Ų | 57 | 28.5 Ų | 28.5 | 30% | 0.298 | 17% | 0.172 | S | C | . | . | trans | 60 | 6.5 | -179.7 | -55.2 | 176.4 | 0 | 0 | 0 | 115.4 | I88 F93 F96 G211 S212 | I88-L214 HydrophobicContact CD1-CD2 4.37Å; F93-L214 HydrophobicContact CD2-CD1 4.05Å; F93-L214 HydrophobicContact CD2-CD2 3.97Å; F93-L214 HydrophobicContact CE2-CD1 3.9Å; F93-L214 HydrophobicContact CE2-CD2 4.25Å; F96-L214 HydrophobicContact CD1-CD2 4.12Å; F96-L214 HydrophobicContact CE1-CD2 4.26Å; G211-L214 WeakPolarHBondContact O-CA 3.49Å; G211-L214 PolarHBondContact O-N 3.18Å; S212-L214 PolarHBondContact O-N 3.37Å | ||
| 215 | A | 98.1 | Very high | 98.5 | Very high | 17 Ų | 17 | 31.9 Ų | 31.9 | 14% | 0.14 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -144.5 | 154.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F7 A213 D217 A220 | F7-A215 VanDerWaalsContact CE1-O 3.28Å; F7-A215 WeakPolarHBondContact CE1-O 3.21Å; A213-A215 PolarHBondContact O-N 2.95Å; A215-D217 HydrophobicContact CB-CB 4.35Å; A215-D217 PolarHBondContact O-N 3.14Å; A215-A220 WeakPolarHBondContact O-CB 3.18Å |
| 216 | A | 98 | Very high | 98.5 | Very high | 52 Ų | 52 | 31.7 Ų | 31.7 | 43% | 0.43 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -87 | 76.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | A3 N4 F7 | A3-A216 HydrophobicContact CB-CB 4.46Å; N4-A216 PolarHBondContact OD1-N 2.72Å; F7-A216 HydrophobicContact CB-CB 3.9Å; F7-A216 HydrophobicContact CD1-CB 4.2Å; F7-A216 HydrophobicContact CG-CB 4.05Å |
| 217 | D | 97.3 | Very high | 98.5 | Very high | 66 Ų | 66 | 29.6 Ų | 29.6 | 35% | 0.353 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -139.2 | -171.3 | -169.9 | 70.1 | 8.2 | 0 | 0 | 0 | 113.7 | A215 L219 A220 I221 | A215-D217 HydrophobicContact CB-CB 4.35Å; A215-D217 PolarHBondContact O-N 3.14Å; D217-L219 VanDerWaalsContact C-N 3.25Å; D217-L219 PolarHBondContact O-N 3.47Å; D217-L219 WeakPolarHBondContact OD1-CA 3.22Å; D217-L219 WeakPolarHBondContact OD1-CB 3.2Å; D217-L219 PolarHBondContact OD1-N 2.96Å; D217-A220 PolarHBondContact O-N 3.23Å; D217-A220 PolarHBondContact OD1-N 3Å; D217-I221 WeakPolarHBondContact O-CG1 3.45Å; D217-I221 PolarHBondContact O-N 3.03Å |
| 218 | G | 97.8 | Very high | 98.5 | Very high | 55 Ų | 55 | 32.8 Ų | 32.8 | 57% | 0.567 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -62.9 | -29.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I221 H222 | G218-I221 PolarHBondContact O-N 3.12Å; G218-H222 WeakPolarHBondContact O-CB 3.36Å; G218-H222 PolarHBondContact O-N 3.04Å |
| 219 | L | 98.3 | Very high | 98.5 | Very high | 55 Ų | 55 | 34 Ų | 34 | 29% | 0.288 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -72 | -40.8 | 178.8 | -175.7 | 62.3 | 0 | 0 | 0 | 110.8 | F154 A213 D217 H222 A223 G270 | F154-L219 HydrophobicContact CE2-CD2 4.17Å; F154-L219 HydrophobicContact CE2-CG 4.37Å; F154-L219 HydrophobicContact CZ-CG 4.4Å; A213-L219 HydrophobicContact CB-CB 4.26Å; A213-L219 HydrophobicContact CB-CD2 4.26Å; A213-L219 HydrophobicContact CB-CG 4.1Å; D217-L219 VanDerWaalsContact C-N 3.25Å; D217-L219 PolarHBondContact O-N 3.47Å; D217-L219 WeakPolarHBondContact OD1-CA 3.22Å; D217-L219 WeakPolarHBondContact OD1-CB 3.2Å; D217-L219 PolarHBondContact OD1-N 2.96Å; L219-H222 PolarHBondContact O-N 2.89Å; L219-A223 WeakPolarHBondContact O-CB 3.5Å; L219-A223 PolarHBondContact O-N 3.2Å; L219-G270 WeakPolarHBondContact CD1-O 3.33Å |
| 220 | A | 98.7 | Very high | 98.5 | Very high | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.033 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.9 | -45 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | F7 G210 A213 A215 D217 H222 A223 M224 | F7-A220 HydrophobicContact CE1-CB 3.95Å; F7-A220 HydrophobicContact CZ-CB 3.81Å; G210-A220 WeakPolarHBondContact O-CB 3.46Å; A213-A220 HydrophobicContact CB-CB 3.83Å; A215-A220 WeakPolarHBondContact O-CB 3.18Å; D217-A220 PolarHBondContact O-N 3.23Å; D217-A220 PolarHBondContact OD1-N 3Å; A220-H222 VanDerWaalsContact C-N 3.34Å; A220-H222 PolarHBondContact O-N 3.49Å; A220-A223 PolarHBondContact O-N 3.4Å; A220-M224 WeakPolarHBondContact O-CG 3.36Å; A220-M224 PolarHBondContact O-N 3.08Å |
| 221 | I | 98.6 | Very high | 98.5 | Very high | 108 Ų | 108 | 34 Ų | 34 | 55% | 0.554 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -59.7 | -47.3 | 176.3 | -64.8 | 167 | 0 | 0 | 0 | 110.1 | D217 G218 A223 M224 I225 | D217-I221 WeakPolarHBondContact O-CG1 3.45Å; D217-I221 PolarHBondContact O-N 3.03Å; G218-I221 PolarHBondContact O-N 3.12Å; I221-A223 PolarHBondContact O-N 2.62Å; I221-M224 PolarHBondContact O-N 2.95Å; I221-I225 HydrophobicContact CG2-CD1 3.88Å; I221-I225 WeakPolarHBondContact O-CG1 3.22Å; I221-I225 PolarHBondContact O-N 3.18Å |
| 222 | H | 98.8 | Very high | 98.5 | Very high | 32 Ų | 32 | 35.5 Ų | 35.5 | 15% | 0.148 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.8 | -48.1 | 179.1 | -172.4 | 93.9 | 0 | 0 | 0 | 111.8 | G218 L219 A220 M224 I225 T226 V272 V330 | G218-H222 WeakPolarHBondContact O-CB 3.36Å; G218-H222 PolarHBondContact O-N 3.04Å; L219-H222 PolarHBondContact O-N 2.89Å; A220-H222 VanDerWaalsContact C-N 3.34Å; A220-H222 PolarHBondContact O-N 3.49Å; H222-M224 VanDerWaalsContact C-N 3.31Å; H222-M224 PolarHBondContact O-N 3.29Å; H222-I225 PolarHBondContact O-N 3.08Å; H222-I225 VanDerWaalsContact O-N 3.12Å; H222-T226 WeakPolarHBondContact NE2-CG2 3.21Å; H222-T226 PolarHBondContact O-N 3.37Å; H222-T226 PolarHBondContact O-OG1 2.83Å; H222-V272 PolarHBondContact NE2-O 3.14Å; H222-V330 VanDerWaalsContact NE2-CG1 3.31Å; H222-V330 WeakPolarHBondContact NE2-CG1 3.29Å |
| 223 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.3 | -37.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F154 L219 A220 I221 T226 T227 A269 | F154-A223 HydrophobicContact CE1-CB 3.59Å; F154-A223 HydrophobicContact CZ-CB 3.96Å; L219-A223 WeakPolarHBondContact O-CB 3.5Å; L219-A223 PolarHBondContact O-N 3.2Å; A220-A223 PolarHBondContact O-N 3.4Å; I221-A223 PolarHBondContact O-N 2.62Å; A223-T226 WeakPolarHBondContact CA-OG1 3.44Å; A223-T226 PolarHBondContact O-OG1 3.09Å; A223-T227 WeakPolarHBondContact O-CB 3.3Å; A223-T227 PolarHBondContact O-N 3.03Å; A223-T227 PolarHBondContact O-OG1 3.46Å; A223-A269 WeakPolarHBondContact CA-O 3.2Å; A223-A269 HydrophobicContact CB-CB 4.26Å |
| 224 | M | 98.7 | Very high | 98.6 | Very high | 70 Ų | 70 | 35.3 Ų | 35.3 | 35% | 0.345 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.3 | -40.8 | 174.6 | -71.2 | -179.2 | 63.5 | 0 | 0 | 112.1 | F206 A220 I221 H222 T227 N228 | F206-M224 HydrophobicContact CB-CE 3.84Å; F206-M224 HydrophobicContact CD1-CE 4.43Å; F206-M224 HydrophobicContact CG-CE 4.1Å; A220-M224 WeakPolarHBondContact O-CG 3.36Å; A220-M224 PolarHBondContact O-N 3.08Å; I221-M224 PolarHBondContact O-N 2.95Å; H222-M224 VanDerWaalsContact C-N 3.31Å; H222-M224 PolarHBondContact O-N 3.29Å; M224-T227 PolarHBondContact O-N 3.38Å; M224-N228 PolarHBondContact O-N 3.12Å |
| 225 | I | 98.9 | Very high | 98.6 | Very high | 72 Ų | 72 | 34.9 Ų | 34.9 | 37% | 0.369 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.4 | -48.6 | 179.6 | -68.4 | 169.3 | 0 | 0 | 0 | 110.8 | I221 H222 T227 N228 T229 I274 | I221-I225 HydrophobicContact CG2-CD1 3.88Å; I221-I225 WeakPolarHBondContact O-CG1 3.22Å; I221-I225 PolarHBondContact O-N 3.18Å; H222-I225 PolarHBondContact O-N 3.08Å; H222-I225 VanDerWaalsContact O-N 3.12Å; I225-T227 VanDerWaalsContact C-N 3.28Å; I225-T227 PolarHBondContact O-N 3.05Å; I225-N228 PolarHBondContact O-N 2.97Å; I225-T229 VanDerWaalsContact O-CB 3.25Å; I225-T229 WeakPolarHBondContact O-CB 3.36Å; I225-T229 PolarHBondContact O-N 3.21Å; I225-T229 PolarHBondContact O-OG1 3.26Å; I225-I274 HydrophobicContact CG2-CD1 3.87Å; I225-I274 HydrophobicContact CG2-CG1 3.98Å; I225-I274 HydrophobicContact CG2-CG2 4.2Å |
| 226 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.3 | -41 | 178 | 55.1 | 0 | 0 | 0 | 0 | 110.8 | H222 A223 T229 A230 A269 I274 | H222-T226 WeakPolarHBondContact NE2-CG2 3.21Å; H222-T226 PolarHBondContact O-N 3.37Å; H222-T226 PolarHBondContact O-OG1 2.83Å; A223-T226 WeakPolarHBondContact CA-OG1 3.44Å; A223-T226 PolarHBondContact O-OG1 3.09Å; T226-T229 PolarHBondContact O-N 3.18Å; T226-A230 WeakPolarHBondContact O-CB 3.29Å; T226-A230 PolarHBondContact O-N 3.2Å; T226-A269 PolarHBondContact OG1-O 2.88Å; T226-I274 HydrophobicContact CG2-CG1 4.43Å |
| 227 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.9 | -53.5 | 176.5 | -60.9 | 0 | 0 | 0 | 0 | 112.2 | W205 N209 A223 M224 I225 T229 A231 L262 | W205-T227 HydrophobicContact CB-CG2 4.24Å; N209-T227 HydrophobicContact CB-CG2 4.45Å; N209-T227 WeakPolarHBondContact CB-OG1 3.48Å; N209-T227 PolarHBondContact ND2-OG1 2.82Å; A223-T227 WeakPolarHBondContact O-CB 3.3Å; A223-T227 PolarHBondContact O-N 3.03Å; A223-T227 PolarHBondContact O-OG1 3.46Å; M224-T227 PolarHBondContact O-N 3.38Å; I225-T227 VanDerWaalsContact C-N 3.28Å; I225-T227 PolarHBondContact O-N 3.05Å; T227-T229 VanDerWaalsContact C-N 3.33Å; T227-T229 PolarHBondContact O-N 3.41Å; T227-A231 WeakPolarHBondContact O-CB 3.47Å; T227-A231 PolarHBondContact O-N 3.28Å; T227-A231 VanDerWaalsContact O-N 3.12Å; T227-L262 HydrophobicContact CG2-CD2 3.52Å |
| 228 | N | 98.9 | Very high | 98.8 | Very high | 67 Ų | 67 | 35.2 Ų | 35.2 | 36% | 0.358 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.9 | -43.4 | 179.1 | -174.1 | 67.4 | 0 | 0 | 0 | 112 | W202 F206 M224 I225 A231 A232 | W202-N228 WeakPolarHBondContact CZ2-OD1 3.5Å; W202-N228 PolarHBondContact NE1-OD1 3.08Å; W202-N228 VanDerWaalsContact NE1-OD1 3.16Å; F206-N228 HydrophobicContact CE1-CB 3.95Å; F206-N228 HydrophobicContact CZ-CB 4.46Å; M224-N228 PolarHBondContact O-N 3.12Å; I225-N228 PolarHBondContact O-N 2.97Å; N228-A231 PolarHBondContact O-N 3.21Å; N228-A232 WeakPolarHBondContact O-CB 3.44Å; N228-A232 PolarHBondContact O-N 2.74Å |
| 229 | T | 98.9 | Very high | 98.8 | Very high | 25 Ų | 25 | 35.3 Ų | 35.3 | 15% | 0.153 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.8 | -47.6 | -176.5 | -59.1 | 0 | 0 | 0 | 0 | 111 | I225 T226 T227 A231 A232 C233 S277 L278 | I225-T229 VanDerWaalsContact O-CB 3.25Å; I225-T229 WeakPolarHBondContact O-CB 3.36Å; I225-T229 PolarHBondContact O-N 3.21Å; I225-T229 PolarHBondContact O-OG1 3.26Å; T226-T229 PolarHBondContact O-N 3.18Å; T227-T229 VanDerWaalsContact C-N 3.33Å; T227-T229 PolarHBondContact O-N 3.41Å; T229-A231 PolarHBondContact O-N 3.28Å; T229-A232 PolarHBondContact O-N 2.68Å; T229-C233 WeakPolarHBondContact O-CB 3.44Å; T229-C233 PolarHBondContact O-N 2.86Å; T229-C233 PolarHBondContact O-SG 3.17Å; T229-S277 WeakPolarHBondContact CB-OG 3.14Å; T229-S277 VanDerWaalsContact CG2-OG 3.29Å; T229-S277 WeakPolarHBondContact CG2-OG 3.49Å; T229-L278 HydrophobicContact CG2-CD2 3.32Å; T229-L278 HydrophobicContact CG2-CG 3.79Å |
| 230 | A | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64 | -41.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | T226 C233 A234 I265 G281 | T226-A230 WeakPolarHBondContact O-CB 3.29Å; T226-A230 PolarHBondContact O-N 3.2Å; A230-C233 PolarHBondContact O-N 3.36Å; A230-A234 VanDerWaalsContact O-CB 3.25Å; A230-A234 WeakPolarHBondContact O-CB 3.45Å; A230-A234 PolarHBondContact O-N 3.4Å; A230-I265 HydrophobicContact CB-CB 3.57Å; A230-I265 HydrophobicContact CB-CD1 4.21Å; A230-I265 HydrophobicContact CB-CG1 3.84Å; A230-I265 HydrophobicContact CB-CG2 3.9Å; A230-G281 VanDerWaalsContact O-CA 3.31Å; A230-G281 WeakPolarHBondContact O-CA 3.28Å |
| 231 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.7 | -46.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | W202 T227 N228 T229 A234 M235 L262 | W202-A231 HydrophobicContact CD2-CB 4.15Å; W202-A231 HydrophobicContact CE3-CB 4.41Å; W202-A231 HydrophobicContact CH2-CB 3.78Å; W202-A231 HydrophobicContact CZ2-CB 3.47Å; W202-A231 VanDerWaalsContact CZ2-CB 3.47Å; W202-A231 HydrophobicContact CZ3-CB 4.24Å; T227-A231 WeakPolarHBondContact O-CB 3.47Å; T227-A231 PolarHBondContact O-N 3.28Å; T227-A231 VanDerWaalsContact O-N 3.12Å; N228-A231 PolarHBondContact O-N 3.21Å; T229-A231 PolarHBondContact O-N 3.28Å; A231-A234 PolarHBondContact O-N 2.92Å; A231-M235 WeakPolarHBondContact O-CB 3.16Å; A231-M235 PolarHBondContact O-N 3.33Å; A231-L262 HydrophobicContact CB-CD2 3.57Å; A231-L262 HydrophobicContact CB-CG 3.67Å |
| 232 | A | 98.9 | Very high | 98.8 | Very high | 33 Ų | 33 | 34.3 Ų | 34.3 | 27% | 0.273 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.1 | -46.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | W202 N228 T229 A234 M235 L236 | W202-A232 HydrophobicContact CH2-CB 4.25Å; W202-A232 HydrophobicContact CZ2-CB 4.42Å; N228-A232 WeakPolarHBondContact O-CB 3.44Å; N228-A232 PolarHBondContact O-N 2.74Å; T229-A232 PolarHBondContact O-N 2.68Å; A232-A234 PolarHBondContact O-N 3.25Å; A232-M235 PolarHBondContact O-N 2.88Å; A232-L236 WeakPolarHBondContact O-CG 3.29Å; A232-L236 PolarHBondContact O-N 3.1Å |
| 233 | C | 98.9 | Very high | 98.8 | Very high | 29 Ų | 29 | 38.3 Ų | 38.3 | 20% | 0.196 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.4 | -41.1 | 177.5 | -76.3 | 0 | 0 | 0 | 0 | 112.4 | T229 A230 L236 S237 L278 | T229-C233 WeakPolarHBondContact O-CB 3.44Å; T229-C233 PolarHBondContact O-N 2.86Å; T229-C233 PolarHBondContact O-SG 3.17Å; A230-C233 PolarHBondContact O-N 3.36Å; C233-L236 PolarHBondContact O-N 3.09Å; C233-S237 WeakPolarHBondContact O-CB 3.45Å; C233-S237 PolarHBondContact O-N 3.31Å; C233-L278 VanDerWaalsContact SG-CD2 3.51Å |
| 234 | A | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.5 | -40.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A230 A231 A232 S237 W238 G257 V260 G281 V284 S285 | A230-A234 VanDerWaalsContact O-CB 3.25Å; A230-A234 WeakPolarHBondContact O-CB 3.45Å; A230-A234 PolarHBondContact O-N 3.4Å; A231-A234 PolarHBondContact O-N 2.92Å; A232-A234 PolarHBondContact O-N 3.25Å; A234-S237 PolarHBondContact O-N 3.46Å; A234-W238 WeakPolarHBondContact O-CB 3.14Å; A234-W238 PolarHBondContact O-N 2.86Å; A234-G257 CarbonylContact C-O 3.57Å; A234-G257 WeakPolarHBondContact CB-O 3.36Å; A234-V260 HydrophobicContact CB-CG2 4.45Å; A234-G281 WeakPolarHBondContact CA-O 3.3Å; A234-G281 VanDerWaalsContact CB-O 3.26Å; A234-G281 WeakPolarHBondContact CB-O 3.47Å; A234-G281 PolarHBondContact N-O 2.97Å; A234-V284 HydrophobicContact CB-CG1 3.9Å; A234-S285 WeakPolarHBondContact CA-OG 3.5Å; A234-S285 PolarHBondContact O-OG 3.33Å |
| 235 | M | 98.9 | Very high | 98.7 | Very high | 47 Ų | 47 | 46 Ų | 46 | 23% | 0.232 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.2 | -53.1 | 171.7 | 173.2 | -178.6 | -89.8 | 0 | 0 | 111.3 | W202 A231 A232 S237 W238 M239 A254 A258 | W202-M235 HydrophobicContact CZ3-CE 3.85Å; W202-M235 HydrophobicContact CZ3-SD 4.3Å; A231-M235 WeakPolarHBondContact O-CB 3.16Å; A231-M235 PolarHBondContact O-N 3.33Å; A232-M235 PolarHBondContact O-N 2.88Å; M235-S237 VanDerWaalsContact C-N 3.35Å; M235-S237 PolarHBondContact O-N 2.81Å; M235-W238 PolarHBondContact O-N 3.41Å; M235-M239 HydrophobicContact CG-SD 3.91Å; M235-M239 VanDerWaalsContact O-CG 3.26Å; M235-M239 WeakPolarHBondContact O-CG 3.1Å; M235-M239 PolarHBondContact O-N 3.05Å; M235-A254 HydrophobicContact CE-CB 4.43Å; M235-A254 WeakPolarHBondContact CE-O 3.18Å; M235-A254 HydrophobicContact CG-CB 4.15Å; M235-A254 WeakPolarHBondContact CG-O 3.04Å; M235-A258 HydrophobicContact CB-CB 4.17Å; M235-A258 HydrophobicContact CE-CB 3.82Å |
| 236 | L | 98.9 | Very high | 98.5 | Very high | 110 Ų | 110 | 47.5 Ų | 47.5 | 58% | 0.576 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -65.7 | -38.1 | -179.5 | -65.9 | 179.9 | 0 | 0 | 0 | 112.2 | A232 C233 M239 L240 | A232-L236 WeakPolarHBondContact O-CG 3.29Å; A232-L236 PolarHBondContact O-N 3.1Å; C233-L236 PolarHBondContact O-N 3.09Å; L236-M239 HydrophobicContact CD2-SD 4.22Å; L236-M239 PolarHBondContact O-N 3.03Å; L236-L240 WeakPolarHBondContact O-CB 3.47Å; L236-L240 PolarHBondContact O-N 3.5Å |
| 237 | S | 98.8 | Very high | 98.4 | Very high | 20 Ų | 20 | 49.2 Ų | 49.2 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 175.5 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | C233 A234 M235 L240 I241 A282 P286 | C233-S237 WeakPolarHBondContact O-CB 3.45Å; C233-S237 PolarHBondContact O-N 3.31Å; A234-S237 PolarHBondContact O-N 3.46Å; M235-S237 VanDerWaalsContact C-N 3.35Å; M235-S237 PolarHBondContact O-N 2.81Å; S237-L240 WeakPolarHBondContact O-CB 3.33Å; S237-L240 PolarHBondContact O-N 2.93Å; S237-I241 VanDerWaalsContact O-CG1 3.31Å; S237-I241 WeakPolarHBondContact O-CG1 3.46Å; S237-I241 PolarHBondContact O-N 3.28Å; S237-A282 WeakPolarHBondContact CB-O 3.45Å; S237-A282 PolarHBondContact OG-O 3.3Å; S237-P286 WeakPolarHBondContact OG-CD 3.36Å |
| 238 | W | 98.8 | Very high | 98.4 | Very high | 12 Ų | 12 | 56.9 Ų | 56.9 | 5% | 0.045 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 176.4 | -162.1 | -63.8 | 0 | 0 | 0 | 111.9 | A234 M235 L240 I241 E242 T256 V260 C288 F289 I292 | A234-W238 WeakPolarHBondContact O-CB 3.14Å; A234-W238 PolarHBondContact O-N 2.86Å; M235-W238 PolarHBondContact O-N 3.41Å; W238-L240 VanDerWaalsContact C-N 3.27Å; W238-L240 PolarHBondContact O-N 3.18Å; W238-I241 PolarHBondContact O-N 3.04Å; W238-E242 PolarHBondContact O-N 2.82Å; W238-T256 HydrophobicContact CE3-CG2 4.35Å; W238-T256 HydrophobicContact CH2-CG2 3.32Å; W238-T256 HydrophobicContact CZ2-CG2 3.63Å; W238-T256 HydrophobicContact CZ3-CG2 3.72Å; W238-V260 HydrophobicContact CE3-CG2 3.84Å; W238-V260 HydrophobicContact CZ3-CG1 4Å; W238-V260 HydrophobicContact CZ3-CG2 3.82Å; W238-C288 HydrophobicContact CZ3-CB 3.98Å; W238-F289 HydrophobicContact CD2-CD2 4.38Å; W238-F289 AromaticContact CE2-CD2 3.74Å; W238-F289 HydrophobicContact CH2-CB 4.48Å; W238-F289 AromaticContact CZ2-CD2 3.88Å; W238-F289 HydrophobicContact CZ2-CD2 3.88Å; W238-F289 AromaticContact NE1-CD2 3.76Å; W238-I292 HydrophobicContact CH2-CD1 3.95Å |
| 239 | M | 98.8 | Very high | 98.3 | Very high | 57 Ų | 57 | 56.6 Ų | 56.6 | 28% | 0.281 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.1 | -39.5 | 175.7 | -71.5 | 169.2 | 61.4 | 0 | 0 | 111.9 | M235 L236 K243 P249 A254 | M235-M239 HydrophobicContact CG-SD 3.91Å; M235-M239 VanDerWaalsContact O-CG 3.26Å; M235-M239 WeakPolarHBondContact O-CG 3.1Å; M235-M239 PolarHBondContact O-N 3.05Å; L236-M239 HydrophobicContact CD2-SD 4.22Å; L236-M239 PolarHBondContact O-N 3.03Å; M239-K243 VanDerWaalsContact O-CB 3.3Å; M239-K243 WeakPolarHBondContact O-CB 3.2Å; M239-K243 PolarHBondContact O-N 3.11Å; M239-P249 HydrophobicContact CB-CB 4Å; M239-P249 HydrophobicContact CE-CB 4.47Å; M239-P249 HydrophobicContact CG-CB 4.16Å; M239-A254 HydrophobicContact CG-CB 3.77Å; M239-A254 HydrophobicContact SD-CB 3.83Å |
| 240 | L | 98.7 | Very high | 98.2 | Very high | 103 Ų | 103 | 58.4 Ų | 58.4 | 54% | 0.539 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 176.2 | -179.7 | 60.7 | 0 | 0 | 0 | 111.5 | L236 S237 W238 E242 K243 I244 | L236-L240 WeakPolarHBondContact O-CB 3.47Å; L236-L240 PolarHBondContact O-N 3.5Å; S237-L240 WeakPolarHBondContact O-CB 3.33Å; S237-L240 PolarHBondContact O-N 2.93Å; W238-L240 VanDerWaalsContact C-N 3.27Å; W238-L240 PolarHBondContact O-N 3.18Å; L240-E242 PolarHBondContact O-N 3.4Å; L240-K243 WeakPolarHBondContact O-CB 3.37Å; L240-K243 PolarHBondContact O-N 3.16Å; L240-I244 HydrophobicContact CD1-CD1 3.98Å; L240-I244 HydrophobicContact CD1-CG1 4.27Å; L240-I244 HydrophobicContact CG-CD1 3.9Å; L240-I244 VanDerWaalsContact O-CG1 3.3Å; L240-I244 WeakPolarHBondContact O-CG1 3.38Å; L240-I244 PolarHBondContact O-N 2.98Å |
| 241 | I | 98.5 | Very high | 98.2 | Very high | 27 Ų | 27 | 62.2 Ų | 62.2 | 14% | 0.138 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.3 | -49.1 | 175.6 | -68 | 161.4 | 0 | 0 | 0 | 110.6 | S237 W238 K243 I244 L245 P286 F289 | S237-I241 VanDerWaalsContact O-CG1 3.31Å; S237-I241 WeakPolarHBondContact O-CG1 3.46Å; S237-I241 PolarHBondContact O-N 3.28Å; W238-I241 PolarHBondContact O-N 3.04Å; I241-K243 VanDerWaalsContact C-N 3.32Å; I241-K243 PolarHBondContact O-N 3.43Å; I241-I244 PolarHBondContact O-N 2.82Å; I241-L245 HydrophobicContact CG2-CD1 3.71Å; I241-L245 HydrophobicContact CG2-CG 4.36Å; I241-L245 WeakPolarHBondContact O-CB 3.34Å; I241-L245 WeakPolarHBondContact O-CG 3.23Å; I241-L245 PolarHBondContact O-N 3.45Å; I241-P286 HydrophobicContact CD1-CB 4.26Å; I241-P286 HydrophobicContact CD1-CG 3.88Å; I241-F289 HydrophobicContact CD1-CB 4.45Å; I241-F289 HydrophobicContact CG2-CB 4.49Å; I241-F289 HydrophobicContact CG2-CD1 3.72Å; I241-F289 HydrophobicContact CG2-CD2 3.79Å; I241-F289 HydrophobicContact CG2-CE1 3.81Å; I241-F289 HydrophobicContact CG2-CE2 3.87Å; I241-F289 HydrophobicContact CG2-CG 3.73Å; I241-F289 HydrophobicContact CG2-CZ 3.88Å |
| 242 | E | 98.1 | Very high | 98.1 | Very high | 16 Ų | 16 | 63.8 Ų | 63.8 | 8% | 0.075 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 176.5 | -72.1 | -170.2 | 148.4 | 0 | 0 | 112.2 | W238 L240 I244 N246 G247 T250 F289 | W238-E242 PolarHBondContact O-N 2.82Å; L240-E242 PolarHBondContact O-N 3.4Å; E242-I244 VanDerWaalsContact C-N 3.29Å; E242-I244 PolarHBondContact O-N 3.14Å; E242-N246 CarbonylContact O-C 3.5Å; E242-N246 VanDerWaalsContact O-CA 3.29Å; E242-N246 WeakPolarHBondContact O-CA 3.42Å; E242-N246 VanDerWaalsContact O-CB 3.29Å; E242-N246 WeakPolarHBondContact O-CB 3.31Å; E242-N246 PolarHBondContact O-N 3.46Å; E242-G247 PolarHBondContact O-N 3.32Å; E242-T250 PolarHBondContact OE1-OG1 3.49Å; E242-T250 VanDerWaalsContact OE1-OG1 3.1Å; E242-T250 PolarHBondContact OE2-N 3.5Å; E242-T250 PolarHBondContact OE2-OG1 2.93Å; E242-F289 HydrophobicContact CG-CE2 4.1Å |
| 243 | K | 98.4 | Very high | 98 | Very high | 116 Ų | 116 | 62.3 Ų | 62.3 | 50% | 0.504 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.2 | -40 | 175.1 | 178.1 | 61.6 | -171.2 | 172.9 | 0 | 111.7 | M239 L240 I241 G247 | M239-K243 VanDerWaalsContact O-CB 3.3Å; M239-K243 WeakPolarHBondContact O-CB 3.2Å; M239-K243 PolarHBondContact O-N 3.11Å; L240-K243 WeakPolarHBondContact O-CB 3.37Å; L240-K243 PolarHBondContact O-N 3.16Å; I241-K243 VanDerWaalsContact C-N 3.32Å; I241-K243 PolarHBondContact O-N 3.43Å; K243-G247 WeakPolarHBondContact CD-O 3.32Å; K243-G247 PolarHBondContact NZ-O 3.32Å; K243-G247 CarbonylContact O-C 3.58Å; K243-G247 WeakPolarHBondContact O-CA 3.3Å; K243-G247 PolarHBondContact O-N 3.06Å |
| 244 | I | 98.4 | Very high | 98 | Very high | 122 Ų | 122 | 61.6 Ų | 61.6 | 63% | 0.626 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -73.8 | -47.8 | -179.9 | -68 | 166.6 | 0 | 0 | 0 | 111.2 | L240 I241 E242 | L240-I244 HydrophobicContact CD1-CD1 3.98Å; L240-I244 HydrophobicContact CD1-CG1 4.27Å; L240-I244 HydrophobicContact CG-CD1 3.9Å; L240-I244 VanDerWaalsContact O-CG1 3.3Å; L240-I244 WeakPolarHBondContact O-CG1 3.38Å; L240-I244 PolarHBondContact O-N 2.98Å; I241-I244 PolarHBondContact O-N 2.82Å; E242-I244 VanDerWaalsContact C-N 3.29Å; E242-I244 PolarHBondContact O-N 3.14Å |
| 245 | L | 96.8 | Very high | 98 | Very high | 111 Ų | 111 | 62 Ų | 62 | 58% | 0.581 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -87.8 | -37 | -171.5 | -61.6 | 179.5 | 0 | 0 | 0 | 113.6 | I241 F289 | I241-L245 HydrophobicContact CG2-CD1 3.71Å; I241-L245 HydrophobicContact CG2-CG 4.36Å; I241-L245 WeakPolarHBondContact O-CB 3.34Å; I241-L245 WeakPolarHBondContact O-CG 3.23Å; I241-L245 PolarHBondContact O-N 3.45Å; L245-F289 HydrophobicContact CD1-CD1 4.3Å; L245-F289 HydrophobicContact CD1-CE1 3.48Å; L245-F289 VanDerWaalsContact CD1-CE1 3.48Å; L245-F289 HydrophobicContact CD1-CZ 3.94Å |
| 246 | N | 94.7 | Very high | 98 | Very high | 103 Ų | 103 | 60.6 Ų | 60.6 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -110.5 | -2 | -174.4 | -54.9 | -21.2 | 0 | 0 | 0 | 112.4 | E242 K248 | E242-N246 CarbonylContact O-C 3.5Å; E242-N246 VanDerWaalsContact O-CA 3.29Å; E242-N246 WeakPolarHBondContact O-CA 3.42Å; E242-N246 VanDerWaalsContact O-CB 3.29Å; E242-N246 WeakPolarHBondContact O-CB 3.31Å; E242-N246 PolarHBondContact O-N 3.46Å; N246-K248 PolarHBondContact O-N 3.4Å; N246-K248 VanDerWaalsContact O-N 3.15Å |
| 247 | G | 97.6 | Very high | 98 | Very high | 36 Ų | 36 | 55.4 Ų | 55.4 | 37% | 0.371 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 78.5 | -15.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | E242 K243 | E242-G247 PolarHBondContact O-N 3.32Å; K243-G247 WeakPolarHBondContact CD-O 3.32Å; K243-G247 PolarHBondContact NZ-O 3.32Å; K243-G247 CarbonylContact O-C 3.58Å; K243-G247 WeakPolarHBondContact O-CA 3.3Å; K243-G247 PolarHBondContact O-N 3.06Å |
| 248 | K | 97.7 | Very high | 98 | Very high | 160 Ų | 160 | 54.4 Ų | 54.4 | 70% | 0.696 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -148.3 | 138.6 | -179.4 | -62.7 | 179 | -175.6 | 175.3 | 0 | 111 | N246 | N246-K248 PolarHBondContact O-N 3.4Å; N246-K248 VanDerWaalsContact O-N 3.15Å |
| 249 | P | 97.6 | Very high | 98 | Very high | 62 Ų | 62 | 54 Ų | 54 | 40% | 0.403 | 29% | 0.293 | S | S | . | . | trans | -70.5 | 151.3 | 168.1 | 31.9 | -34.7 | 0 | 0 | 0 | 110.7 | M239 | M239-P249 HydrophobicContact CB-CB 4Å; M239-P249 HydrophobicContact CE-CB 4.47Å; M239-P249 HydrophobicContact CG-CB 4.16Å | ||
| 250 | T | 97.1 | Very high | 98 | Very high | 63 Ų | 63 | 51.3 Ų | 51.3 | 39% | 0.387 | 28% | 0.28 | S | S | . | . | trans | -113.9 | 153.4 | 174.5 | 71.9 | 0 | 0 | 0 | 0 | 110.9 | E242 V252 G253 A254 | E242-T250 PolarHBondContact OE1-OG1 3.49Å; E242-T250 VanDerWaalsContact OE1-OG1 3.1Å; E242-T250 PolarHBondContact OE2-N 3.5Å; E242-T250 PolarHBondContact OE2-OG1 2.93Å; T250-V252 VanDerWaalsContact C-N 3.28Å; T250-V252 PolarHBondContact O-N 2.97Å; T250-G253 PolarHBondContact O-N 2.75Å; T250-G253 WeakPolarHBondContact OG1-CA 3.49Å; T250-G253 PolarHBondContact OG1-N 3.29Å; T250-A254 PolarHBondContact O-N 3.13Å | ||
| 251 | V | 98 | Very high | 98 | Very high | 80 Ų | 80 | 46.4 Ų | 46.4 | 49% | 0.485 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 175.7 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | V191 V195 A254 C255 | V191-V251 HydrophobicContact CG1-CB 3.86Å; V191-V251 HydrophobicContact CG1-CG1 3.69Å; V195-V251 HydrophobicContact CG2-CG1 3.29Å; V251-A254 PolarHBondContact O-N 2.87Å; V251-C255 WeakPolarHBondContact O-CB 3.29Å; V251-C255 PolarHBondContact O-N 2.72Å; V251-C255 PolarHBondContact O-SG 2.95Å |
| 252 | V | 97.4 | Very high | 98 | Very high | 32 Ų | 32 | 45.1 Ų | 45.1 | 19% | 0.194 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65 | -45.1 | 177.5 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | L29 P188 V191 T250 A254 C255 T256 | L29-V252 HydrophobicContact CD2-CG1 3.69Å; P188-V252 HydrophobicContact CG-CG2 4.08Å; V191-V252 HydrophobicContact CG1-CG2 4.09Å; V191-V252 HydrophobicContact CG2-CG2 4.1Å; T250-V252 VanDerWaalsContact C-N 3.28Å; T250-V252 PolarHBondContact O-N 2.97Å; V252-A254 PolarHBondContact O-N 3.43Å; V252-C255 WeakPolarHBondContact O-CB 3.47Å; V252-C255 PolarHBondContact O-N 2.8Å; V252-C255 VanDerWaalsContact O-N 3.16Å; V252-T256 PolarHBondContact O-N 3.37Å; V252-T256 PolarHBondContact O-OG1 2.93Å |
| 253 | G | 97.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.4 | -43.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | T250 C255 T256 G257 | T250-G253 PolarHBondContact O-N 2.75Å; T250-G253 WeakPolarHBondContact OG1-CA 3.49Å; T250-G253 PolarHBondContact OG1-N 3.29Å; G253-C255 VanDerWaalsContact C-N 3.33Å; G253-C255 PolarHBondContact O-N 3.5Å; G253-T256 PolarHBondContact O-N 3.16Å; G253-G257 PolarHBondContact O-N 3.46Å |
| 254 | A | 98.8 | Very high | 98.1 | Very high | 14 Ų | 14 | 38.8 Ų | 38.8 | 12% | 0.116 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | M235 M239 T250 V251 V252 G257 A258 | M235-A254 HydrophobicContact CE-CB 4.43Å; M235-A254 WeakPolarHBondContact CE-O 3.18Å; M235-A254 HydrophobicContact CG-CB 4.15Å; M235-A254 WeakPolarHBondContact CG-O 3.04Å; M239-A254 HydrophobicContact CG-CB 3.77Å; M239-A254 HydrophobicContact SD-CB 3.83Å; T250-A254 PolarHBondContact O-N 3.13Å; V251-A254 PolarHBondContact O-N 2.87Å; V252-A254 PolarHBondContact O-N 3.43Å; A254-G257 PolarHBondContact O-N 3.22Å; A254-A258 PolarHBondContact O-N 3.15Å |
| 255 | C | 98.8 | Very high | 98.1 | Very high | 9 Ų | 9 | 33 Ų | 33 | 6% | 0.061 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.3 | -46.4 | 177.7 | -69.6 | 0 | 0 | 0 | 0 | 112.2 | F25 V194 T198 V251 V252 G253 G257 A258 V259 | F25-C255 HydrophobicContact CE2-CB 4.28Å; V194-C255 HydrophobicContact CG1-CB 3.92Å; T198-C255 HydrophobicContact CG2-CB 4.08Å; T198-C255 WeakPolarHBondContact OG1-CB 3.22Å; V251-C255 WeakPolarHBondContact O-CB 3.29Å; V251-C255 PolarHBondContact O-N 2.72Å; V251-C255 PolarHBondContact O-SG 2.95Å; V252-C255 WeakPolarHBondContact O-CB 3.47Å; V252-C255 PolarHBondContact O-N 2.8Å; V252-C255 VanDerWaalsContact O-N 3.16Å; G253-C255 VanDerWaalsContact C-N 3.33Å; G253-C255 PolarHBondContact O-N 3.5Å; C255-G257 VanDerWaalsContact C-N 3.34Å; C255-G257 PolarHBondContact O-N 3.25Å; C255-A258 PolarHBondContact O-N 3.36Å; C255-V259 WeakPolarHBondContact O-CG2 3.49Å; C255-V259 PolarHBondContact O-N 2.92Å; C255-V259 VanDerWaalsContact O-N 3.11Å |
| 256 | T | 98.5 | Very high | 98.2 | Very high | 18 Ų | 18 | 27.8 Ų | 27.8 | 11% | 0.11 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | 175.2 | -56.5 | 0 | 0 | 0 | 0 | 111 | W238 V252 G253 A258 V259 V260 | W238-T256 HydrophobicContact CE3-CG2 4.35Å; W238-T256 HydrophobicContact CH2-CG2 3.32Å; W238-T256 HydrophobicContact CZ2-CG2 3.63Å; W238-T256 HydrophobicContact CZ3-CG2 3.72Å; V252-T256 PolarHBondContact O-N 3.37Å; V252-T256 PolarHBondContact O-OG1 2.93Å; G253-T256 PolarHBondContact O-N 3.16Å; T256-A258 PolarHBondContact O-N 3.19Å; T256-V259 PolarHBondContact O-N 3.42Å; T256-V259 VanDerWaalsContact O-N 3.15Å; T256-V260 HydrophobicContact CG2-CG1 4.48Å; T256-V260 PolarHBondContact O-N 3.45Å |
| 257 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -54.3 | -47.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | A234 G253 A254 C255 V260 G261 | A234-G257 CarbonylContact C-O 3.57Å; A234-G257 WeakPolarHBondContact CB-O 3.36Å; G253-G257 PolarHBondContact O-N 3.46Å; A254-G257 PolarHBondContact O-N 3.22Å; C255-G257 VanDerWaalsContact C-N 3.34Å; C255-G257 PolarHBondContact O-N 3.25Å; G257-V260 WeakPolarHBondContact O-CG2 3.23Å; G257-G261 PolarHBondContact O-N 2.77Å; G257-G261 VanDerWaalsContact O-N 3.16Å |
| 258 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T198 W202 M235 A254 C255 T256 V260 G261 L262 | T198-A258 HydrophobicContact CG2-CB 4.23Å; W202-A258 HydrophobicContact CE3-CB 3.75Å; W202-A258 HydrophobicContact CZ3-CB 3.57Å; M235-A258 HydrophobicContact CB-CB 4.17Å; M235-A258 HydrophobicContact CE-CB 3.82Å; A254-A258 PolarHBondContact O-N 3.15Å; C255-A258 PolarHBondContact O-N 3.36Å; T256-A258 PolarHBondContact O-N 3.19Å; A258-V260 PolarHBondContact O-N 2.96Å; A258-G261 PolarHBondContact O-N 2.95Å; A258-L262 WeakPolarHBondContact O-CG 3.45Å; A258-L262 PolarHBondContact O-N 3.28Å |
| 259 | V | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 13.5 Ų | 13.5 | 2% | 0.018 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.8 | -44.7 | -179.3 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | F25 T198 C255 T256 G261 L262 V263 | F25-V259 HydrophobicContact CE2-CG2 4.29Å; F25-V259 HydrophobicContact CZ-CG2 4.16Å; T198-V259 HydrophobicContact CG2-CG2 4.36Å; C255-V259 WeakPolarHBondContact O-CG2 3.49Å; C255-V259 PolarHBondContact O-N 2.92Å; C255-V259 VanDerWaalsContact O-N 3.11Å; T256-V259 PolarHBondContact O-N 3.42Å; T256-V259 VanDerWaalsContact O-N 3.15Å; V259-G261 VanDerWaalsContact C-N 3.28Å; V259-G261 PolarHBondContact O-N 3.28Å; V259-L262 WeakPolarHBondContact O-CB 3.39Å; V259-L262 PolarHBondContact O-N 2.82Å; V259-V263 HydrophobicContact CG1-CG2 4.37Å; V259-V263 VanDerWaalsContact O-CG2 3.3Å; V259-V263 WeakPolarHBondContact O-CG2 3.5Å; V259-V263 PolarHBondContact O-N 2.65Å |
| 260 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66.7 | -30.6 | 178.7 | -60.4 | 0 | 0 | 0 | 0 | 112.7 | A234 W238 T256 G257 A258 A264 V284 C288 C310 | A234-V260 HydrophobicContact CB-CG2 4.45Å; W238-V260 HydrophobicContact CE3-CG2 3.84Å; W238-V260 HydrophobicContact CZ3-CG1 4Å; W238-V260 HydrophobicContact CZ3-CG2 3.82Å; T256-V260 HydrophobicContact CG2-CG1 4.48Å; T256-V260 PolarHBondContact O-N 3.45Å; G257-V260 WeakPolarHBondContact O-CG2 3.23Å; A258-V260 PolarHBondContact O-N 2.96Å; V260-A264 WeakPolarHBondContact O-CB 3.01Å; V260-A264 PolarHBondContact O-N 3.36Å; V260-V284 HydrophobicContact CB-CG2 4.3Å; V260-V284 HydrophobicContact CG2-CG1 4.17Å; V260-C288 HydrophobicContact CB-CB 4.43Å; V260-C288 HydrophobicContact CG1-CB 4.02Å; V260-C310 HydrophobicContact CG1-CB 3.76Å |
| 261 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -64.6 | -45.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G257 A258 V259 A264 I265 | G257-G261 PolarHBondContact O-N 2.77Å; G257-G261 VanDerWaalsContact O-N 3.16Å; A258-G261 PolarHBondContact O-N 2.95Å; V259-G261 VanDerWaalsContact C-N 3.28Å; V259-G261 PolarHBondContact O-N 3.28Å; G261-A264 PolarHBondContact O-N 2.85Å; G261-I265 WeakPolarHBondContact O-CG2 3.3Å; G261-I265 PolarHBondContact O-N 3.33Å |
| 262 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -61.4 | -43.5 | 175.3 | -68 | 168.3 | 0 | 0 | 0 | 111.5 | W202 W205 T227 A231 A258 V259 I265 T266 | W202-L262 HydrophobicContact CB-CD1 4.1Å; W202-L262 HydrophobicContact CG-CD1 4.24Å; W205-L262 HydrophobicContact CB-CD1 4.38Å; W205-L262 HydrophobicContact CB-CD2 3.82Å; W205-L262 HydrophobicContact CD2-CB 3.67Å; W205-L262 HydrophobicContact CD2-CD1 3.96Å; W205-L262 HydrophobicContact CD2-CD2 4.28Å; W205-L262 HydrophobicContact CD2-CG 4.18Å; W205-L262 HydrophobicContact CE3-CB 4.04Å; W205-L262 HydrophobicContact CE3-CD1 3.68Å; W205-L262 HydrophobicContact CE3-CG 4.37Å; W205-L262 HydrophobicContact CG-CB 4.03Å; W205-L262 HydrophobicContact CG-CD1 4.27Å; W205-L262 HydrophobicContact CG-CD2 3.83Å; W205-L262 HydrophobicContact CG-CG 4.26Å; W205-L262 HydrophobicContact CH2-CB 4.36Å; W205-L262 HydrophobicContact CZ2-CB 4Å; W205-L262 HydrophobicContact CZ3-CB 4.38Å; W205-L262 HydrophobicContact CZ3-CD1 4.26Å; W205-L262 PolarHBondContact NE1-O 2.92Å; T227-L262 HydrophobicContact CG2-CD2 3.52Å; A231-L262 HydrophobicContact CB-CD2 3.57Å; A231-L262 HydrophobicContact CB-CG 3.67Å; A258-L262 WeakPolarHBondContact O-CG 3.45Å; A258-L262 PolarHBondContact O-N 3.28Å; V259-L262 WeakPolarHBondContact O-CB 3.39Å; V259-L262 PolarHBondContact O-N 2.82Å; L262-I265 WeakPolarHBondContact O-CG2 3.45Å; L262-T266 PolarHBondContact O-N 3.37Å; L262-T266 PolarHBondContact O-OG1 3.43Å |
| 263 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -60.2 | -51.4 | 174.8 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | H161 W205 V259 I265 T266 H311 | H161-V263 HydrophobicContact CB-CG1 3.97Å; W205-V263 HydrophobicContact CH2-CG2 4.21Å; W205-V263 HydrophobicContact CZ2-CG2 4.11Å; V259-V263 HydrophobicContact CG1-CG2 4.37Å; V259-V263 VanDerWaalsContact O-CG2 3.3Å; V259-V263 WeakPolarHBondContact O-CG2 3.5Å; V259-V263 PolarHBondContact O-N 2.65Å; V263-I265 VanDerWaalsContact C-N 3.34Å; V263-I265 PolarHBondContact O-N 2.93Å; V263-T266 VanDerWaalsContact O-CB 3.31Å; V263-T266 WeakPolarHBondContact O-CB 3.41Å; V263-T266 PolarHBondContact O-N 3.1Å; V263-T266 PolarHBondContact O-OG1 2.83Å; V263-H311 VanDerWaalsContact CG2-ND1 3.29Å; V263-H311 WeakPolarHBondContact CG2-ND1 3.26Å |
| 264 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -62.8 | -38.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V260 G261 T266 I280 V284 F317 G318 | V260-A264 WeakPolarHBondContact O-CB 3.01Å; V260-A264 PolarHBondContact O-N 3.36Å; G261-A264 PolarHBondContact O-N 2.85Å; A264-T266 VanDerWaalsContact C-N 3.34Å; A264-I280 HydrophobicContact CB-CG2 3.91Å; A264-V284 HydrophobicContact CB-CB 3.81Å; A264-V284 HydrophobicContact CB-CG1 3.91Å; A264-V284 HydrophobicContact CB-CG2 3.81Å; A264-F317 HydrophobicContact CB-CD1 4.05Å; A264-F317 HydrophobicContact CB-CE1 4.48Å; A264-G318 WeakPolarHBondContact O-CA 3.39Å |
| 265 | I | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.005 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -78.8 | -20.6 | -177.9 | -164.5 | 60.4 | 0 | 0 | 0 | 112.6 | A230 G261 L262 V263 G268 A269 V272 I280 | A230-I265 HydrophobicContact CB-CB 3.57Å; A230-I265 HydrophobicContact CB-CD1 4.21Å; A230-I265 HydrophobicContact CB-CG1 3.84Å; A230-I265 HydrophobicContact CB-CG2 3.9Å; G261-I265 WeakPolarHBondContact O-CG2 3.3Å; G261-I265 PolarHBondContact O-N 3.33Å; L262-I265 WeakPolarHBondContact O-CG2 3.45Å; V263-I265 VanDerWaalsContact C-N 3.34Å; V263-I265 PolarHBondContact O-N 2.93Å; I265-G268 CarbonylContact O-C 3.55Å; I265-G268 PolarHBondContact O-N 3.35Å; I265-A269 HydrophobicContact CG1-CB 4.39Å; I265-A269 WeakPolarHBondContact O-CA 3.31Å; I265-A269 WeakPolarHBondContact O-CB 3.47Å; I265-A269 PolarHBondContact O-N 3.45Å; I265-V272 HydrophobicContact CD1-CG2 3.69Å; I265-I280 HydrophobicContact CD1-CD1 3.93Å; I265-I280 HydrophobicContact CD1-CG2 4.29Å |
| 266 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.055 | C | C | . | . | G | 310 helix | trans | -49.4 | -51.7 | -174.6 | -68 | 0 | 0 | 0 | 0 | 114.3 | A155 W205 F208 L262 V263 A264 G268 | A155-T266 HydrophobicContact CB-CG2 3.73Å; A155-T266 PolarHBondContact N-O 2.94Å; W205-T266 PolarHBondContact NE1-OG1 3.28Å; W205-T266 VanDerWaalsContact NE1-OG1 3.09Å; F208-T266 HydrophobicContact CD1-CG2 4.35Å; F208-T266 HydrophobicContact CE1-CG2 3.71Å; L262-T266 PolarHBondContact O-N 3.37Å; L262-T266 PolarHBondContact O-OG1 3.43Å; V263-T266 VanDerWaalsContact O-CB 3.31Å; V263-T266 WeakPolarHBondContact O-CB 3.41Å; V263-T266 PolarHBondContact O-N 3.1Å; V263-T266 PolarHBondContact O-OG1 2.83Å; A264-T266 VanDerWaalsContact C-N 3.34Å; T266-G268 PolarHBondContact O-N 3.29Å |
| 267 | P | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.05 | C | C | . | . | G | 310 helix | trans | -65.4 | -24.2 | 178.4 | 23 | -32.6 | 0 | 0 | 0 | 114.1 | D153 F154 G318 | D153-P267 WeakPolarHBondContact OD1-CA 3.42Å; F154-P267 WeakPolarHBondContact CB-O 3.33Å; F154-P267 PolarHBondContact N-O 2.87Å; P267-G318 VanDerWaalsContact CG-C 3.41Å |
| 268 | G | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | G | 310 helix | trans | -110.3 | 1.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | I265 T266 G270 F271 V272 T322 | I265-G268 CarbonylContact O-C 3.55Å; I265-G268 PolarHBondContact O-N 3.35Å; T266-G268 PolarHBondContact O-N 3.29Å; G268-G270 VanDerWaalsContact C-N 3.28Å; G268-G270 PolarHBondContact O-N 3.34Å; G268-G270 VanDerWaalsContact O-N 3.14Å; G268-F271 PolarHBondContact O-N 2.96Å; G268-V272 WeakPolarHBondContact O-CG2 3.35Å; G268-V272 PolarHBondContact O-N 2.7Å; G268-T322 WeakPolarHBondContact CA-OG1 3.35Å; G268-T322 PolarHBondContact N-OG1 3.09Å |
| 269 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -38.3 | -164.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F154 N209 A223 T226 I265 | F154-A269 HydrophobicContact CD1-CB 3.85Å; F154-A269 HydrophobicContact CE1-CB 4.24Å; N209-A269 HydrophobicContact CB-CB 3.95Å; A223-A269 WeakPolarHBondContact CA-O 3.2Å; A223-A269 HydrophobicContact CB-CB 4.26Å; T226-A269 PolarHBondContact OG1-O 2.88Å; I265-A269 HydrophobicContact CG1-CB 4.39Å; I265-A269 WeakPolarHBondContact O-CA 3.31Å; I265-A269 WeakPolarHBondContact O-CB 3.47Å; I265-A269 PolarHBondContact O-N 3.45Å |
| 270 | G | 98.5 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 15.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L219 G268 V330 | L219-G270 WeakPolarHBondContact CD1-O 3.33Å; G268-G270 VanDerWaalsContact C-N 3.28Å; G268-G270 PolarHBondContact O-N 3.34Å; G268-G270 VanDerWaalsContact O-N 3.14Å; G270-V330 WeakPolarHBondContact O-CG1 3.44Å |
| 271 | F | 98.6 | Very high | 98.7 | Very high | 29 Ų | 29 | 18.6 Ų | 18.6 | 13% | 0.127 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.7 | -24.4 | -179.2 | -65.5 | -60.9 | 0 | 0 | 0 | 114 | I152 F154 G268 A326 D327 K333 | I152-F271 HydrophobicContact CB-CD2 4.29Å; I152-F271 HydrophobicContact CB-CE2 3.91Å; I152-F271 HydrophobicContact CB-CZ 4.25Å; I152-F271 HydrophobicContact CD1-CB 4.05Å; I152-F271 HydrophobicContact CD1-CD1 4.13Å; I152-F271 HydrophobicContact CD1-CD2 3.71Å; I152-F271 HydrophobicContact CD1-CE2 4.14Å; I152-F271 HydrophobicContact CD1-CG 3.7Å; I152-F271 HydrophobicContact CG1-CD2 4.06Å; I152-F271 HydrophobicContact CG1-CE2 4.2Å; F154-F271 HydrophobicContact CB-CD2 3.82Å; F154-F271 HydrophobicContact CB-CE2 3.67Å; F154-F271 HydrophobicContact CD2-CD2 4.21Å; F154-F271 AromaticContact CD2-CE2 3.81Å; F154-F271 HydrophobicContact CD2-CE2 3.81Å; F154-F271 HydrophobicContact CD2-CZ 4.17Å; F154-F271 HydrophobicContact CG-CD2 4.41Å; F154-F271 HydrophobicContact CG-CE2 4.22Å; G268-F271 PolarHBondContact O-N 2.96Å; F271-A326 CarbonylContact O-C 3.57Å; F271-A326 WeakPolarHBondContact O-CA 3.48Å; F271-D327 PolarHBondContact O-N 3.49Å; F271-K333 HydrophobicContact CD1-CB 4.21Å; F271-K333 HydrophobicContact CD1-CG 3.74Å; F271-K333 HydrophobicContact CE1-CG 3.7Å |
| 272 | V | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | B | Isolated β-bridge | trans | -100.9 | 152.8 | -179.1 | -52.1 | 0 | 0 | 0 | 0 | 111 | H222 I265 G268 I280 F325 | H222-V272 PolarHBondContact NE2-O 3.14Å; I265-V272 HydrophobicContact CD1-CG2 3.69Å; G268-V272 WeakPolarHBondContact O-CG2 3.35Å; G268-V272 PolarHBondContact O-N 2.7Å; V272-I280 HydrophobicContact CB-CD1 4.35Å; V272-I280 HydrophobicContact CG1-CD1 4.19Å; V272-I280 HydrophobicContact CG2-CD1 3.91Å; V272-F325 HydrophobicContact CB-CB 4.35Å; V272-F325 HydrophobicContact CG1-CB 4.03Å |
| 273 | S | 98.4 | Very high | 98.7 | Very high | 8 Ų | 8 | 24.1 Ų | 24.1 | 6% | 0.056 | 12% | 0.123 | C | C | . | . | trans | -67.4 | 163.5 | 176.2 | 79.1 | 0 | 0 | 0 | 0 | 113 | W275 S276 S277 | S273-W275 VanDerWaalsContact C-N 3.32Å; S273-W275 PolarHBondContact O-N 3.49Å; S273-W275 PolarHBondContact OG-NE1 3.36Å; S273-S276 PolarHBondContact O-N 3.42Å; S273-S276 WeakPolarHBondContact OG-CB 3.28Å; S273-S276 PolarHBondContact OG-N 2.99Å; S273-S276 PolarHBondContact OG-OG 3.25Å; S273-S277 PolarHBondContact O-N 3.19Å; S273-S277 VanDerWaalsContact O-N 3.1Å | ||
| 274 | I | 98.5 | Very high | 98.7 | Very high | 75 Ų | 75 | 24.1 Ų | 24.1 | 39% | 0.385 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -60.9 | -41.2 | 175.1 | -63.4 | 170.9 | 0 | 0 | 0 | 111.1 | I225 T226 S276 S277 L278 | I225-I274 HydrophobicContact CG2-CD1 3.87Å; I225-I274 HydrophobicContact CG2-CG1 3.98Å; I225-I274 HydrophobicContact CG2-CG2 4.2Å; T226-I274 HydrophobicContact CG2-CG1 4.43Å; I274-S276 VanDerWaalsContact C-N 3.32Å; I274-S276 PolarHBondContact O-N 3.2Å; I274-S277 WeakPolarHBondContact O-CB 3.42Å; I274-S277 PolarHBondContact O-N 3.43Å; I274-S277 PolarHBondContact O-OG 3.36Å; I274-L278 PolarHBondContact O-N 3.21Å |
| 275 | W | 97.9 | Very high | 98.7 | Very high | 119 Ų | 119 | 24.1 Ų | 24.1 | 45% | 0.451 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -67.1 | -36.6 | 179.7 | 75.9 | -101 | 0 | 0 | 0 | 111.4 | S273 S277 L278 L279 F325 I337 | S273-W275 VanDerWaalsContact C-N 3.32Å; S273-W275 PolarHBondContact O-N 3.49Å; S273-W275 PolarHBondContact OG-NE1 3.36Å; W275-S277 VanDerWaalsContact C-N 3.27Å; W275-S277 PolarHBondContact O-N 2.85Å; W275-L278 WeakPolarHBondContact O-CB 3.33Å; W275-L278 PolarHBondContact O-N 2.94Å; W275-L279 HydrophobicContact CE3-CD1 4.1Å; W275-L279 HydrophobicContact CE3-CG 4.41Å; W275-L279 HydrophobicContact CZ3-CD1 3.54Å; W275-L279 HydrophobicContact CZ3-CG 4.31Å; W275-F325 AromaticContact CH2-CD1 3.75Å; W275-F325 HydrophobicContact CH2-CD1 3.75Å; W275-F325 AromaticContact CH2-CE1 3.62Å; W275-F325 HydrophobicContact CH2-CE1 3.62Å; W275-F325 HydrophobicContact CZ2-CD1 4.37Å; W275-F325 HydrophobicContact CZ3-CD1 4.31Å; W275-F325 AromaticContact CZ3-CE1 3.94Å; W275-F325 HydrophobicContact CZ3-CE1 3.94Å; W275-I337 HydrophobicContact CH2-CD1 3.76Å; W275-I337 HydrophobicContact CZ2-CD1 3.82Å |
| 276 | S | 98.4 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.2 | -35.3 | 175.9 | -54.8 | 0 | 0 | 0 | 0 | 111 | S273 I274 L278 L279 I280 | S273-S276 PolarHBondContact O-N 3.42Å; S273-S276 WeakPolarHBondContact OG-CB 3.28Å; S273-S276 PolarHBondContact OG-N 2.99Å; S273-S276 PolarHBondContact OG-OG 3.25Å; I274-S276 VanDerWaalsContact C-N 3.32Å; I274-S276 PolarHBondContact O-N 3.2Å; S276-L278 VanDerWaalsContact C-N 3.27Å; S276-L278 PolarHBondContact O-N 2.96Å; S276-L279 PolarHBondContact O-N 2.88Å; S276-L279 VanDerWaalsContact O-N 3.09Å; S276-I280 VanDerWaalsContact O-CG1 3.29Å; S276-I280 WeakPolarHBondContact O-CG1 3.42Å; S276-I280 PolarHBondContact O-N 2.92Å |
| 277 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62 | -30.7 | 175.9 | 79.5 | 0 | 0 | 0 | 0 | 113.6 | T229 S273 I274 W275 G281 | T229-S277 WeakPolarHBondContact CB-OG 3.14Å; T229-S277 VanDerWaalsContact CG2-OG 3.29Å; T229-S277 WeakPolarHBondContact CG2-OG 3.49Å; S273-S277 PolarHBondContact O-N 3.19Å; S273-S277 VanDerWaalsContact O-N 3.1Å; I274-S277 WeakPolarHBondContact O-CB 3.42Å; I274-S277 PolarHBondContact O-N 3.43Å; I274-S277 PolarHBondContact O-OG 3.36Å; W275-S277 VanDerWaalsContact C-N 3.27Å; W275-S277 PolarHBondContact O-N 2.85Å; S277-G281 PolarHBondContact O-N 3.3Å |
| 278 | L | 98.9 | Very high | 98.6 | Very high | 83 Ų | 83 | 32.1 Ų | 32.1 | 44% | 0.435 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.9 | -46.5 | 172 | -63.5 | 165.4 | 0 | 0 | 0 | 110.7 | T229 C233 I274 W275 S276 A282 | T229-L278 HydrophobicContact CG2-CD2 3.32Å; T229-L278 HydrophobicContact CG2-CG 3.79Å; C233-L278 VanDerWaalsContact SG-CD2 3.51Å; I274-L278 PolarHBondContact O-N 3.21Å; W275-L278 WeakPolarHBondContact O-CB 3.33Å; W275-L278 PolarHBondContact O-N 2.94Å; S276-L278 VanDerWaalsContact C-N 3.27Å; S276-L278 PolarHBondContact O-N 2.96Å; L278-A282 VanDerWaalsContact O-CB 3.24Å; L278-A282 WeakPolarHBondContact O-CB 3.44Å; L278-A282 PolarHBondContact O-N 3.48Å |
| 279 | L | 98.6 | Very high | 98.6 | Very high | 75 Ų | 75 | 33.2 Ų | 33.2 | 39% | 0.393 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68.7 | -44.6 | 179.4 | -65.4 | -170.1 | 0 | 0 | 0 | 111.8 | W275 S276 G281 A282 L283 F325 | W275-L279 HydrophobicContact CE3-CD1 4.1Å; W275-L279 HydrophobicContact CE3-CG 4.41Å; W275-L279 HydrophobicContact CZ3-CD1 3.54Å; W275-L279 HydrophobicContact CZ3-CG 4.31Å; S276-L279 PolarHBondContact O-N 2.88Å; S276-L279 VanDerWaalsContact O-N 3.09Å; L279-G281 VanDerWaalsContact C-N 3.32Å; L279-G281 PolarHBondContact O-N 3.34Å; L279-A282 PolarHBondContact O-N 2.94Å; L279-L283 VanDerWaalsContact O-CB 3.24Å; L279-L283 WeakPolarHBondContact O-CB 3.36Å; L279-L283 WeakPolarHBondContact O-CG 3.24Å; L279-L283 PolarHBondContact O-N 3.34Å; L279-F325 HydrophobicContact CD1-CE1 4.34Å; L279-F325 HydrophobicContact CD1-CZ 4.21Å |
| 280 | I | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.6 | -49.3 | 177.8 | -68.2 | 168.5 | 0 | 0 | 0 | 109.8 | A264 I265 V272 S276 L283 V284 F317 V321 F325 | A264-I280 HydrophobicContact CB-CG2 3.91Å; I265-I280 HydrophobicContact CD1-CD1 3.93Å; I265-I280 HydrophobicContact CD1-CG2 4.29Å; V272-I280 HydrophobicContact CB-CD1 4.35Å; V272-I280 HydrophobicContact CG1-CD1 4.19Å; V272-I280 HydrophobicContact CG2-CD1 3.91Å; S276-I280 VanDerWaalsContact O-CG1 3.29Å; S276-I280 WeakPolarHBondContact O-CG1 3.42Å; S276-I280 PolarHBondContact O-N 2.92Å; I280-L283 PolarHBondContact O-N 2.69Å; I280-V284 PolarHBondContact O-N 2.93Å; I280-F317 HydrophobicContact CG2-CE1 4.12Å; I280-V321 HydrophobicContact CD1-CG2 4.04Å; I280-V321 HydrophobicContact CG1-CB 4.41Å; I280-V321 HydrophobicContact CG1-CG2 3.77Å; I280-V321 HydrophobicContact CG2-CG2 4.15Å; I280-F325 HydrophobicContact CD1-CD2 4.47Å; I280-F325 HydrophobicContact CG1-CD2 4.3Å |
| 281 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.7 | -47.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A230 A234 S277 L279 L283 | A230-G281 VanDerWaalsContact O-CA 3.31Å; A230-G281 WeakPolarHBondContact O-CA 3.28Å; A234-G281 WeakPolarHBondContact CA-O 3.3Å; A234-G281 VanDerWaalsContact CB-O 3.26Å; A234-G281 WeakPolarHBondContact CB-O 3.47Å; A234-G281 PolarHBondContact N-O 2.97Å; S277-G281 PolarHBondContact O-N 3.3Å; L279-G281 VanDerWaalsContact C-N 3.32Å; L279-G281 PolarHBondContact O-N 3.34Å; G281-L283 VanDerWaalsContact C-N 3.26Å; G281-L283 PolarHBondContact O-N 3.4Å |
| 282 | A | 98.8 | Very high | 98.4 | Very high | 38 Ų | 38 | 39 Ų | 39 | 31% | 0.314 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.5 | -33.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S237 L278 L279 P286 | S237-A282 WeakPolarHBondContact CB-O 3.45Å; S237-A282 PolarHBondContact OG-O 3.3Å; L278-A282 VanDerWaalsContact O-CB 3.24Å; L278-A282 WeakPolarHBondContact O-CB 3.44Å; L278-A282 PolarHBondContact O-N 3.48Å; L279-A282 PolarHBondContact O-N 2.94Å; A282-P286 VanDerWaalsContact O-CD 3.28Å; A282-P286 WeakPolarHBondContact O-CD 3.43Å |
| 283 | L | 98.8 | Very high | 98.2 | Very high | 78 Ų | 78 | 41.5 Ų | 41.5 | 41% | 0.408 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -89.2 | -31.7 | -174.7 | -68.8 | 174.7 | 0 | 0 | 0 | 114 | L279 I280 G281 S285 P286 F287 F317 | L279-L283 VanDerWaalsContact O-CB 3.24Å; L279-L283 WeakPolarHBondContact O-CB 3.36Å; L279-L283 WeakPolarHBondContact O-CG 3.24Å; L279-L283 PolarHBondContact O-N 3.34Å; I280-L283 PolarHBondContact O-N 2.69Å; G281-L283 VanDerWaalsContact C-N 3.26Å; G281-L283 PolarHBondContact O-N 3.4Å; L283-S285 VanDerWaalsContact C-N 3.33Å; L283-S285 PolarHBondContact O-N 2.7Å; L283-P286 WeakPolarHBondContact O-CD 3.34Å; L283-P286 WeakPolarHBondContact O-CG 3.48Å; L283-F287 VanDerWaalsContact O-CD2 3.25Å; L283-F287 WeakPolarHBondContact O-CD2 3.48Å; L283-F317 HydrophobicContact CB-CE2 4.21Å; L283-F317 HydrophobicContact CB-CZ 3.64Å |
| 284 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -38.6 | -176.4 | 64.7 | 0 | 0 | 0 | 0 | 112.9 | A234 V260 A264 I280 F287 C288 F317 | A234-V284 HydrophobicContact CB-CG1 3.9Å; V260-V284 HydrophobicContact CB-CG2 4.3Å; V260-V284 HydrophobicContact CG2-CG1 4.17Å; A264-V284 HydrophobicContact CB-CB 3.81Å; A264-V284 HydrophobicContact CB-CG1 3.91Å; A264-V284 HydrophobicContact CB-CG2 3.81Å; I280-V284 PolarHBondContact O-N 2.93Å; V284-F287 PolarHBondContact O-N 3.03Å; V284-F287 VanDerWaalsContact O-N 3.09Å; V284-C288 VanDerWaalsContact CG2-SG 3.57Å; V284-C288 PolarHBondContact O-N 3.46Å; V284-F317 HydrophobicContact CB-CD1 3.65Å; V284-F317 HydrophobicContact CB-CE1 3.7Å; V284-F317 HydrophobicContact CB-CG 4.4Å; V284-F317 HydrophobicContact CB-CZ 4.49Å; V284-F317 HydrophobicContact CG2-CB 4.5Å; V284-F317 HydrophobicContact CG2-CD1 3.82Å; V284-F317 HydrophobicContact CG2-CE1 4.39Å; V284-F317 HydrophobicContact CG2-CG 4.27Å |
| 285 | S | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.3 | -47.8 | -179.4 | -68.2 | 0 | 0 | 0 | 0 | 112.6 | A234 L283 F287 C288 F289 | A234-S285 WeakPolarHBondContact CA-OG 3.5Å; A234-S285 PolarHBondContact O-OG 3.33Å; L283-S285 VanDerWaalsContact C-N 3.33Å; L283-S285 PolarHBondContact O-N 2.7Å; S285-F287 VanDerWaalsContact C-N 3.33Å; S285-F287 PolarHBondContact O-N 2.93Å; S285-C288 PolarHBondContact O-N 3.23Å; S285-F289 WeakPolarHBondContact O-CB 3.26Å; S285-F289 PolarHBondContact O-N 3.24Å |
| 286 | P | 98.6 | Very high | 97.8 | Very high | 54 Ų | 54 | 38.8 Ų | 38.8 | 35% | 0.351 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -50.9 | -45.8 | 170 | -27.2 | 26.5 | 0 | 0 | 0 | 114.5 | S237 I241 A282 L283 F290 | S237-P286 WeakPolarHBondContact OG-CD 3.36Å; I241-P286 HydrophobicContact CD1-CB 4.26Å; I241-P286 HydrophobicContact CD1-CG 3.88Å; A282-P286 VanDerWaalsContact O-CD 3.28Å; A282-P286 WeakPolarHBondContact O-CD 3.43Å; L283-P286 WeakPolarHBondContact O-CD 3.34Å; L283-P286 WeakPolarHBondContact O-CG 3.48Å; P286-F290 WeakPolarHBondContact O-CB 3.42Å; P286-F290 PolarHBondContact O-N 3.28Å |
| 287 | F | 98.5 | Very high | 97.5 | Very high | 114 Ų | 114 | 43.9 Ų | 43.9 | 50% | 0.5 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.4 | -49.3 | -179.4 | -78.5 | -82 | 0 | 0 | 0 | 112.2 | L283 V284 S285 F290 F291 F317 | L283-F287 VanDerWaalsContact O-CD2 3.25Å; L283-F287 WeakPolarHBondContact O-CD2 3.48Å; V284-F287 PolarHBondContact O-N 3.03Å; V284-F287 VanDerWaalsContact O-N 3.09Å; S285-F287 VanDerWaalsContact C-N 3.33Å; S285-F287 PolarHBondContact O-N 2.93Å; F287-F290 PolarHBondContact O-N 2.91Å; F287-F291 WeakPolarHBondContact O-CB 3.37Å; F287-F291 PolarHBondContact O-N 3.14Å; F287-F317 AromaticContact CD2-CD2 3.57Å; F287-F317 HydrophobicContact CD2-CD2 3.57Å; F287-F317 AromaticContact CD2-CE2 3.45Å; F287-F317 HydrophobicContact CD2-CE2 3.45Å; F287-F317 VanDerWaalsContact CD2-CE2 3.45Å; F287-F317 HydrophobicContact CD2-CZ 4.4Å; F287-F317 AromaticContact CE2-CD2 3.9Å; F287-F317 HydrophobicContact CE2-CD2 3.9Å; F287-F317 AromaticContact CE2-CE2 3.49Å; F287-F317 HydrophobicContact CE2-CE2 3.49Å; F287-F317 VanDerWaalsContact CE2-CE2 3.49Å; F287-F317 HydrophobicContact CG-CD2 4.01Å; F287-F317 HydrophobicContact CG-CE2 4.35Å; F287-F317 HydrophobicContact CZ-CE2 4.37Å |
| 288 | C | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.2 | -42.5 | -180 | -64.8 | 0 | 0 | 0 | 0 | 111.5 | W238 V260 V284 S285 F290 F291 I292 | W238-C288 HydrophobicContact CZ3-CB 3.98Å; V260-C288 HydrophobicContact CB-CB 4.43Å; V260-C288 HydrophobicContact CG1-CB 4.02Å; V284-C288 VanDerWaalsContact CG2-SG 3.57Å; V284-C288 PolarHBondContact O-N 3.46Å; S285-C288 PolarHBondContact O-N 3.23Å; C288-F290 PolarHBondContact O-N 3.13Å; C288-F291 PolarHBondContact O-N 3.38Å; C288-I292 WeakPolarHBondContact O-CB 3.48Å; C288-I292 VanDerWaalsContact O-CG1 3.31Å; C288-I292 WeakPolarHBondContact O-CG1 3.21Å; C288-I292 PolarHBondContact O-N 3.19Å |
| 289 | F | 98.5 | Very high | 97.1 | Very high | 23 Ų | 23 | 54.3 Ų | 54.3 | 10% | 0.101 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61 | -46.6 | 176.5 | -172.8 | -78.4 | 0 | 0 | 0 | 111.3 | W238 I241 E242 L245 S285 F291 I292 S293 | W238-F289 HydrophobicContact CD2-CD2 4.38Å; W238-F289 AromaticContact CE2-CD2 3.74Å; W238-F289 HydrophobicContact CH2-CB 4.48Å; W238-F289 AromaticContact CZ2-CD2 3.88Å; W238-F289 HydrophobicContact CZ2-CD2 3.88Å; W238-F289 AromaticContact NE1-CD2 3.76Å; I241-F289 HydrophobicContact CD1-CB 4.45Å; I241-F289 HydrophobicContact CG2-CB 4.49Å; I241-F289 HydrophobicContact CG2-CD1 3.72Å; I241-F289 HydrophobicContact CG2-CD2 3.79Å; I241-F289 HydrophobicContact CG2-CE1 3.81Å; I241-F289 HydrophobicContact CG2-CE2 3.87Å; I241-F289 HydrophobicContact CG2-CG 3.73Å; I241-F289 HydrophobicContact CG2-CZ 3.88Å; E242-F289 HydrophobicContact CG-CE2 4.1Å; L245-F289 HydrophobicContact CD1-CD1 4.3Å; L245-F289 HydrophobicContact CD1-CE1 3.48Å; L245-F289 VanDerWaalsContact CD1-CE1 3.48Å; L245-F289 HydrophobicContact CD1-CZ 3.94Å; S285-F289 WeakPolarHBondContact O-CB 3.26Å; S285-F289 PolarHBondContact O-N 3.24Å; F289-F291 VanDerWaalsContact C-N 3.31Å; F289-F291 PolarHBondContact O-N 3.31Å; F289-I292 PolarHBondContact O-N 2.9Å; F289-S293 WeakPolarHBondContact CE1-OG 3.44Å; F289-S293 WeakPolarHBondContact O-CB 3.27Å; F289-S293 PolarHBondContact O-N 3.26Å; F289-S293 PolarHBondContact O-OG 3.12Å; F289-S293 VanDerWaalsContact O-OG 3.13Å |
| 290 | F | 98 | Very high | 96.7 | Very high | 112 Ų | 112 | 51.1 Ų | 51.1 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 177.2 | 178.9 | -110.1 | 0 | 0 | 0 | 111.5 | P286 F287 C288 V294 I295 | P286-F290 WeakPolarHBondContact O-CB 3.42Å; P286-F290 PolarHBondContact O-N 3.28Å; F287-F290 PolarHBondContact O-N 2.91Å; C288-F290 PolarHBondContact O-N 3.13Å; F290-V294 HydrophobicContact CD2-CB 3.92Å; F290-V294 HydrophobicContact CD2-CG1 4.48Å; F290-V294 HydrophobicContact CD2-CG2 3.7Å; F290-V294 HydrophobicContact CE2-CB 3.78Å; F290-V294 HydrophobicContact CE2-CG1 3.83Å; F290-V294 HydrophobicContact CE2-CG2 3.81Å; F290-V294 HydrophobicContact CZ-CB 4.37Å; F290-V294 HydrophobicContact CZ-CG1 4.21Å; F290-V294 WeakPolarHBondContact O-CA 3.2Å; F290-V294 VanDerWaalsContact O-CB 3.25Å; F290-V294 WeakPolarHBondContact O-CB 3.34Å; F290-V294 PolarHBondContact O-N 3.4Å; F290-I295 HydrophobicContact CD1-CD1 3.87Å; F290-I295 HydrophobicContact CD1-CG1 4.15Å; F290-I295 HydrophobicContact CE1-CD1 3.69Å; F290-I295 HydrophobicContact CE1-CG1 3.83Å; F290-I295 HydrophobicContact CZ-CG1 4.44Å; F290-I295 PolarHBondContact O-N 3.28Å |
| 291 | F | 98.1 | Very high | 96.4 | Very high | 22 Ų | 22 | 52.2 Ų | 52.2 | 10% | 0.096 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -60.4 | -51.8 | 176 | -178.9 | -89.2 | 0 | 0 | 0 | 112.1 | F287 C288 F289 I295 K296 F301 F308 V313 | F287-F291 WeakPolarHBondContact O-CB 3.37Å; F287-F291 PolarHBondContact O-N 3.14Å; C288-F291 PolarHBondContact O-N 3.38Å; F289-F291 VanDerWaalsContact C-N 3.31Å; F289-F291 PolarHBondContact O-N 3.31Å; F291-I295 HydrophobicContact CD2-CB 3.91Å; F291-I295 HydrophobicContact CD2-CD1 3.96Å; F291-I295 HydrophobicContact CD2-CG1 4.5Å; F291-I295 HydrophobicContact CD2-CG2 3.9Å; F291-I295 HydrophobicContact CE2-CB 4.3Å; F291-I295 HydrophobicContact CE2-CG2 3.82Å; F291-I295 HydrophobicContact CG-CB 4.41Å; F291-I295 PolarHBondContact O-N 3.26Å; F291-I295 VanDerWaalsContact O-N 3.11Å; F291-K296 HydrophobicContact CE1-CB 4.39Å; F291-K296 WeakPolarHBondContact O-CB 3.48Å; F291-K296 PolarHBondContact O-N 2.97Å; F291-F301 HydrophobicContact CE1-CE2 4.32Å; F291-F301 AromaticContact CE1-CZ 3.9Å; F291-F301 HydrophobicContact CE1-CZ 3.9Å; F291-F301 HydrophobicContact CE2-CZ 4.49Å; F291-F301 HydrophobicContact CZ-CE1 4.4Å; F291-F301 HydrophobicContact CZ-CE2 4.27Å; F291-F301 AromaticContact CZ-CZ 3.5Å; F291-F301 HydrophobicContact CZ-CZ 3.5Å; F291-F308 AromaticContact CE1-CD1 3.58Å; F291-F308 HydrophobicContact CE1-CD1 3.58Å; F291-F308 AromaticContact CE1-CE1 3.91Å; F291-F308 HydrophobicContact CE1-CE1 3.91Å; F291-F308 HydrophobicContact CE2-CD1 4.25Å; F291-F308 AromaticContact CE2-CE1 3.71Å; F291-F308 HydrophobicContact CE2-CE1 3.71Å; F291-F308 AromaticContact CZ-CD1 3.31Å; F291-F308 HydrophobicContact CZ-CD1 3.31Å; F291-F308 AromaticContact CZ-CE1 3.21Å; F291-F308 HydrophobicContact CZ-CE1 3.21Å; F291-V313 HydrophobicContact CB-CG1 4.31Å; F291-V313 HydrophobicContact CB-CG2 4.15Å; F291-V313 HydrophobicContact CD1-CG2 3.75Å; F291-V313 HydrophobicContact CD2-CG2 3.74Å; F291-V313 HydrophobicContact CE1-CG2 4.06Å; F291-V313 HydrophobicContact CE2-CG2 4.06Å; F291-V313 HydrophobicContact CG-CG2 3.59Å; F291-V313 HydrophobicContact CZ-CG2 4.2Å |
| 292 | I | 95.8 | Very high | 96.3 | Very high | 18 Ų | 18 | 52.3 Ų | 52.3 | 9% | 0.092 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -67.2 | -43 | -175.4 | -69.3 | 164.4 | 0 | 0 | 0 | 111.7 | W238 C288 F289 K296 D306 | W238-I292 HydrophobicContact CH2-CD1 3.95Å; C288-I292 WeakPolarHBondContact O-CB 3.48Å; C288-I292 VanDerWaalsContact O-CG1 3.31Å; C288-I292 WeakPolarHBondContact O-CG1 3.21Å; C288-I292 PolarHBondContact O-N 3.19Å; F289-I292 PolarHBondContact O-N 2.9Å; I292-K296 WeakPolarHBondContact O-CE 3.35Å; I292-D306 HydrophobicContact CD1-CB 3.93Å; I292-D306 HydrophobicContact CG1-CB 4.21Å; I292-D306 WeakPolarHBondContact CG2-OD2 3.34Å |
| 293 | S | 94.1 | Very high | 96.2 | Very high | 52 Ų | 52 | 50.5 Ų | 50.5 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -85.4 | -26.4 | -172.8 | -59.5 | 0 | 0 | 0 | 0 | 113.3 | F289 Q297 | F289-S293 WeakPolarHBondContact CE1-OG 3.44Å; F289-S293 WeakPolarHBondContact O-CB 3.27Å; F289-S293 PolarHBondContact O-N 3.26Å; F289-S293 PolarHBondContact O-OG 3.12Å; F289-S293 VanDerWaalsContact O-OG 3.13Å; S293-Q297 VanDerWaalsContact O-CG 3.28Å; S293-Q297 WeakPolarHBondContact O-CG 3.48Å |
| 294 | V | 95 | Very high | 96 | Very high | 71 Ų | 71 | 47.3 Ų | 47.3 | 43% | 0.43 | 24% | 0.238 | S | C | . | . | I | π-helix | trans | -118.7 | -59.2 | -174.6 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | F290 Q297 K298 | F290-V294 HydrophobicContact CD2-CB 3.92Å; F290-V294 HydrophobicContact CD2-CG1 4.48Å; F290-V294 HydrophobicContact CD2-CG2 3.7Å; F290-V294 HydrophobicContact CE2-CB 3.78Å; F290-V294 HydrophobicContact CE2-CG1 3.83Å; F290-V294 HydrophobicContact CE2-CG2 3.81Å; F290-V294 HydrophobicContact CZ-CB 4.37Å; F290-V294 HydrophobicContact CZ-CG1 4.21Å; F290-V294 WeakPolarHBondContact O-CA 3.2Å; F290-V294 VanDerWaalsContact O-CB 3.25Å; F290-V294 WeakPolarHBondContact O-CB 3.34Å; F290-V294 PolarHBondContact O-N 3.4Å; V294-Q297 PolarHBondContact O-N 3.33Å; V294-K298 VanDerWaalsContact O-CB 3.31Å; V294-K298 WeakPolarHBondContact O-CB 3.32Å; V294-K298 PolarHBondContact O-N 3.08Å |
| 295 | I | 96.5 | Very high | 95.9 | Very high | 58 Ų | 58 | 48 Ų | 48 | 30% | 0.297 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -67 | -50.8 | -172.5 | -61.1 | 177.5 | 0 | 0 | 0 | 111.2 | F290 F291 Q297 K298 L299 | F290-I295 HydrophobicContact CD1-CD1 3.87Å; F290-I295 HydrophobicContact CD1-CG1 4.15Å; F290-I295 HydrophobicContact CE1-CD1 3.69Å; F290-I295 HydrophobicContact CE1-CG1 3.83Å; F290-I295 HydrophobicContact CZ-CG1 4.44Å; F290-I295 PolarHBondContact O-N 3.28Å; F291-I295 HydrophobicContact CD2-CB 3.91Å; F291-I295 HydrophobicContact CD2-CD1 3.96Å; F291-I295 HydrophobicContact CD2-CG1 4.5Å; F291-I295 HydrophobicContact CD2-CG2 3.9Å; F291-I295 HydrophobicContact CE2-CB 4.3Å; F291-I295 HydrophobicContact CE2-CG2 3.82Å; F291-I295 HydrophobicContact CG-CB 4.41Å; F291-I295 PolarHBondContact O-N 3.26Å; F291-I295 VanDerWaalsContact O-N 3.11Å; I295-Q297 VanDerWaalsContact C-N 3.3Å; I295-Q297 PolarHBondContact O-N 3.4Å; I295-K298 PolarHBondContact O-N 3.4Å; I295-L299 HydrophobicContact CG2-CD1 3.73Å; I295-L299 HydrophobicContact CG2-CG 4.29Å; I295-L299 WeakPolarHBondContact O-CG 3.42Å; I295-L299 PolarHBondContact O-N 3.13Å |
| 296 | K | 94.5 | Very high | 95.8 | Very high | 16 Ų | 16 | 49.5 Ų | 49.5 | 7% | 0.07 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.5 | -45 | 177.4 | 177.2 | -178.6 | 79.2 | 170.7 | 0 | 111.1 | F291 I292 K298 L299 G300 F301 D303 D306 | F291-K296 HydrophobicContact CE1-CB 4.39Å; F291-K296 WeakPolarHBondContact O-CB 3.48Å; F291-K296 PolarHBondContact O-N 2.97Å; I292-K296 WeakPolarHBondContact O-CE 3.35Å; K296-K298 PolarHBondContact O-N 3.02Å; K296-L299 PolarHBondContact O-N 2.92Å; K296-G300 WeakPolarHBondContact O-CA 3.16Å; K296-G300 PolarHBondContact O-N 3.05Å; K296-F301 HydrophobicContact CB-CE2 4.03Å; K296-F301 HydrophobicContact CB-CZ 3.82Å; K296-F301 HydrophobicContact CD-CE2 4.07Å; K296-F301 HydrophobicContact CG-CD2 4.06Å; K296-F301 HydrophobicContact CG-CE2 3.53Å; K296-F301 HydrophobicContact CG-CZ 3.83Å; K296-D303 HydrophobicContact CD-CB 4.31Å; K296-D306 WeakPolarHBondContact CD-OD1 3.35Å; K296-D306 WeakPolarHBondContact CE-OD1 3.28Å; K296-D306 IonicContact NZ-OD1 3.32Å; K296-D306 PolarHBondContact NZ-OD1 3.09Å; K296-D306 IonicContact NZ-OD2 3.39Å; K296-D306 PolarHBondContact NZ-OD2 3.22Å |
| 297 | Q | 91.4 | Very high | 95.7 | Very high | 106 Ų | 106 | 47 Ų | 47 | 50% | 0.495 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.4 | -39.1 | 179.6 | -59 | -56.1 | -34.2 | 0 | 0 | 111.9 | S293 V294 I295 | S293-Q297 VanDerWaalsContact O-CG 3.28Å; S293-Q297 WeakPolarHBondContact O-CG 3.48Å; V294-Q297 PolarHBondContact O-N 3.33Å; I295-Q297 VanDerWaalsContact C-N 3.3Å; I295-Q297 PolarHBondContact O-N 3.4Å |
| 298 | K | 94.1 | Very high | 95.7 | Very high | 186 Ų | 186 | 42.3 Ų | 42.3 | 81% | 0.809 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -69.2 | -42.5 | 177.6 | -173.4 | 179.2 | -179.9 | -178.5 | 0 | 113 | V294 I295 K296 | V294-K298 VanDerWaalsContact O-CB 3.31Å; V294-K298 WeakPolarHBondContact O-CB 3.32Å; V294-K298 PolarHBondContact O-N 3.08Å; I295-K298 PolarHBondContact O-N 3.4Å; K296-K298 PolarHBondContact O-N 3.02Å |
| 299 | L | 95 | Very high | 95.7 | Very high | 116 Ų | 116 | 42.3 Ų | 42.3 | 61% | 0.607 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -76.9 | -26.8 | 177.3 | -66.5 | 177.9 | 0 | 0 | 0 | 112 | I295 K296 F301 | I295-L299 HydrophobicContact CG2-CD1 3.73Å; I295-L299 HydrophobicContact CG2-CG 4.29Å; I295-L299 WeakPolarHBondContact O-CG 3.42Å; I295-L299 PolarHBondContact O-N 3.13Å; K296-L299 PolarHBondContact O-N 2.92Å; L299-F301 HydrophobicContact CB-CD1 3.78Å; L299-F301 HydrophobicContact CB-CE1 3.72Å; L299-F301 HydrophobicContact CD1-CD1 4.45Å; L299-F301 HydrophobicContact CD1-CE1 3.79Å; L299-F301 HydrophobicContact CG-CE1 4.38Å |
| 300 | G | 91.4 | Very high | 95.7 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 8% | 0.082 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 36.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R177 K296 | R177-G300 PolarHBondContact NE-O 2.64Å; R177-G300 PolarHBondContact NH2-O 2.86Å; K296-G300 WeakPolarHBondContact O-CA 3.16Å; K296-G300 PolarHBondContact O-N 3.05Å |
| 301 | F | 93.2 | Very high | 95.8 | Very high | 24 Ų | 24 | 36.7 Ų | 36.7 | 11% | 0.105 | 19% | 0.189 | C | C | . | . | trans | -87.6 | 153.8 | 163 | 56.5 | -97 | 0 | 0 | 0 | 109.9 | L169 I173 Y181 F291 K296 L299 D303 | L169-F301 HydrophobicContact CD1-CD1 4.2Å; L169-F301 HydrophobicContact CD1-CD2 3.37Å; L169-F301 HydrophobicContact CD1-CE1 4.28Å; L169-F301 HydrophobicContact CD1-CE2 3.47Å; L169-F301 VanDerWaalsContact CD1-CE2 3.47Å; L169-F301 HydrophobicContact CD1-CG 3.78Å; L169-F301 HydrophobicContact CD1-CZ 3.97Å; I173-F301 HydrophobicContact CG1-CB 4.08Å; Y181-F301 PolarHBondContact OH-O 3.48Å; F291-F301 HydrophobicContact CE1-CE2 4.32Å; F291-F301 AromaticContact CE1-CZ 3.9Å; F291-F301 HydrophobicContact CE1-CZ 3.9Å; F291-F301 HydrophobicContact CE2-CZ 4.49Å; F291-F301 HydrophobicContact CZ-CE1 4.4Å; F291-F301 HydrophobicContact CZ-CE2 4.27Å; F291-F301 AromaticContact CZ-CZ 3.5Å; F291-F301 HydrophobicContact CZ-CZ 3.5Å; K296-F301 HydrophobicContact CB-CE2 4.03Å; K296-F301 HydrophobicContact CB-CZ 3.82Å; K296-F301 HydrophobicContact CD-CE2 4.07Å; K296-F301 HydrophobicContact CG-CD2 4.06Å; K296-F301 HydrophobicContact CG-CE2 3.53Å; K296-F301 HydrophobicContact CG-CZ 3.83Å; L299-F301 HydrophobicContact CB-CD1 3.78Å; L299-F301 HydrophobicContact CB-CE1 3.72Å; L299-F301 HydrophobicContact CD1-CD1 4.45Å; L299-F301 HydrophobicContact CD1-CE1 3.79Å; L299-F301 HydrophobicContact CG-CE1 4.38Å; F301-D303 HydrophobicContact CD2-CB 4.08Å; F301-D303 HydrophobicContact CE2-CB 4.05Å | ||
| 302 | D | 95.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.011 | 19% | 0.185 | C | C | . | . | trans | -104.3 | 74.7 | -177.4 | -173.1 | 14 | 0 | 0 | 0 | 111.3 | R115 A172 R177 R178 Y181 A304 | R115-D302 PolarHBondContact NH1-O 2.92Å; R115-D302 PolarHBondContact NH2-O 3.28Å; A172-D302 WeakPolarHBondContact CB-O 3.39Å; R177-D302 HydrophobicContact CB-CB 4.17Å; R177-D302 HydrophobicContact CG-CB 4.15Å; R178-D302 VanDerWaalsContact CB-OD2 3.22Å; R178-D302 WeakPolarHBondContact CB-OD2 3.38Å; R178-D302 WeakPolarHBondContact CG-OD2 3.49Å; R178-D302 IonicContact CZ-OD1 3.89Å; R178-D302 IonicContact CZ-OD2 3.27Å; R178-D302 PolarHBondContact N-OD2 3.49Å; R178-D302 IonicContact NE-OD1 2.69Å; R178-D302 PolarHBondContact NE-OD1 2.74Å; R178-D302 IonicContact NE-OD2 3.8Å; R178-D302 PolarHBondContact NE-OD2 3.13Å; R178-D302 IonicContact NH2-OD1 2.88Å; R178-D302 PolarHBondContact NH2-OD1 3.37Å; R178-D302 IonicContact NH2-OD2 3.78Å; Y181-D302 HydrophobicContact CD2-CB 3.61Å; Y181-D302 VanDerWaalsContact CD2-OD1 3.24Å; Y181-D302 WeakPolarHBondContact CD2-OD1 3.41Å; Y181-D302 HydrophobicContact CE2-CB 3.56Å; Y181-D302 WeakPolarHBondContact CE2-OD1 3.41Å; Y181-D302 HydrophobicContact CG-CB 4.41Å; D302-A304 PolarHBondContact O-N 3.15Å; D302-A304 VanDerWaalsContact O-N 3.16Å | ||
| 303 | D | 96.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -72.2 | 99.1 | 166.7 | -178.5 | 15.3 | 0 | 0 | 0 | 108.6 | S111 K296 F301 L305 D306 A307 F308 G309 | S111-D303 VanDerWaalsContact CA-OD1 3.24Å; S111-D303 WeakPolarHBondContact CA-OD1 3.49Å; S111-D303 VanDerWaalsContact CB-OD1 3.22Å; S111-D303 WeakPolarHBondContact CB-OD1 3.37Å; S111-D303 PolarHBondContact OG-OD1 3.49Å; K296-D303 HydrophobicContact CD-CB 4.31Å; F301-D303 HydrophobicContact CD2-CB 4.08Å; F301-D303 HydrophobicContact CE2-CB 4.05Å; D303-L305 PolarHBondContact O-N 3.37Å; D303-D306 PolarHBondContact O-N 3.06Å; D303-D306 VanDerWaalsContact OD2-CA 3.24Å; D303-D306 WeakPolarHBondContact OD2-CA 3.33Å; D303-A307 PolarHBondContact OD1-N 3.5Å; D303-A307 PolarHBondContact OD2-N 2.85Å; D303-A307 VanDerWaalsContact OD2-N 3.11Å; D303-F308 WeakPolarHBondContact OD2-CA 3.41Å; D303-F308 WeakPolarHBondContact OD2-CB 3.48Å; D303-F308 PolarHBondContact OD2-N 3.46Å; D303-G309 PolarHBondContact OD2-N 3.48Å; D303-G309 VanDerWaalsContact OD2-N 3.11Å | ||
| 304 | A | 95.3 | Very high | 96.1 | Very high | 11 Ų | 11 | 33.2 Ų | 33.2 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -42.6 | -154.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | G110 S111 A113 R178 D302 | G110-A304 WeakPolarHBondContact O-CB 2.99Å; S111-A304 WeakPolarHBondContact O-CB 3.4Å; S111-A304 PolarHBondContact O-N 2.63Å; S111-A304 VanDerWaalsContact O-N 3.12Å; A113-A304 HydrophobicContact CB-CB 3.98Å; R178-A304 VanDerWaalsContact NH2-CA 3.34Å; R178-A304 PolarHBondContact NH2-O 3.35Å; R178-A304 VanDerWaalsContact NH2-O 3.14Å; D302-A304 PolarHBondContact O-N 3.15Å; D302-A304 VanDerWaalsContact O-N 3.16Å |
| 305 | L | 96.4 | Very high | 96.3 | Very high | 15 Ų | 15 | 29.9 Ų | 29.9 | 8% | 0.079 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 24.8 | 179.7 | -53.5 | -179.1 | 0 | 0 | 0 | 111.6 | Y26 L29 E30 T38 G110 A113 D303 A307 | Y26-L305 HydrophobicContact CD1-CB 4.34Å; Y26-L305 HydrophobicContact CD1-CD1 3.86Å; Y26-L305 HydrophobicContact CD2-CD1 4.24Å; Y26-L305 HydrophobicContact CG-CD1 3.62Å; L29-L305 HydrophobicContact CB-CD2 3.85Å; E30-L305 HydrophobicContact CB-CD2 4.19Å; T38-L305 HydrophobicContact CG2-CD1 4.13Å; G110-L305 WeakPolarHBondContact O-CB 3.47Å; G110-L305 WeakPolarHBondContact O-CG 3.3Å; G110-L305 PolarHBondContact O-N 3.45Å; A113-L305 HydrophobicContact CB-CD1 3.93Å; A113-L305 HydrophobicContact CB-CG 4.02Å; D303-L305 PolarHBondContact O-N 3.37Å; L305-A307 VanDerWaalsContact C-N 3.32Å; L305-A307 PolarHBondContact O-N 3.2Å |
| 306 | D | 96.9 | Very high | 96.4 | Very high | 32 Ų | 32 | 29 Ų | 29 | 17% | 0.171 | 14% | 0.143 | C | C | . | . | trans | 57.4 | 37.3 | 178 | -73 | -56.1 | 0 | 0 | 0 | 114.6 | I292 K296 D303 G309 C310 | I292-D306 HydrophobicContact CD1-CB 3.93Å; I292-D306 HydrophobicContact CG1-CB 4.21Å; I292-D306 WeakPolarHBondContact CG2-OD2 3.34Å; K296-D306 WeakPolarHBondContact CD-OD1 3.35Å; K296-D306 WeakPolarHBondContact CE-OD1 3.28Å; K296-D306 IonicContact NZ-OD1 3.32Å; K296-D306 PolarHBondContact NZ-OD1 3.09Å; K296-D306 IonicContact NZ-OD2 3.39Å; K296-D306 PolarHBondContact NZ-OD2 3.22Å; D303-D306 PolarHBondContact O-N 3.06Å; D303-D306 VanDerWaalsContact OD2-CA 3.24Å; D303-D306 WeakPolarHBondContact OD2-CA 3.33Å; D306-G309 PolarHBondContact O-N 3.39Å; D306-C310 VanDerWaalsContact O-CB 3.29Å; D306-C310 WeakPolarHBondContact O-CB 3.41Å; D306-C310 PolarHBondContact O-N 2.96Å; D306-C310 PolarHBondContact O-SG 2.87Å | ||
| 307 | A | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.6 | -39.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | D303 L305 H311 G312 | D303-A307 PolarHBondContact OD1-N 3.5Å; D303-A307 PolarHBondContact OD2-N 2.85Å; D303-A307 VanDerWaalsContact OD2-N 3.11Å; L305-A307 VanDerWaalsContact C-N 3.32Å; L305-A307 PolarHBondContact O-N 3.2Å; A307-H311 WeakPolarHBondContact O-CA 3.37Å; A307-H311 WeakPolarHBondContact O-CB 3.37Å; A307-H311 PolarHBondContact O-CD2 3.49Å; A307-H311 PolarHBondContact O-N 3.41Å; A307-G312 PolarHBondContact O-N 2.86Å |
| 308 | F | 98.5 | Very high | 97 | Very high | 17 Ų | 17 | 24.1 Ų | 24.1 | 8% | 0.075 | 12% | 0.121 | C | C | . | . | I | π-helix | trans | -69.8 | -42.7 | 169.4 | -179.6 | -107.4 | 0 | 0 | 0 | 111.1 | G165 I166 L169 F291 D303 C310 G312 V313 | G165-F308 WeakPolarHBondContact O-CD2 3.49Å; I166-F308 HydrophobicContact CB-CE2 4.43Å; I166-F308 HydrophobicContact CD1-CE2 3.96Å; L169-F308 HydrophobicContact CB-CB 3.9Å; L169-F308 HydrophobicContact CB-CD1 4.37Å; L169-F308 HydrophobicContact CB-CD2 3.97Å; L169-F308 HydrophobicContact CB-CG 3.81Å; L169-F308 HydrophobicContact CD1-CB 4.49Å; L169-F308 HydrophobicContact CD1-CD1 4.22Å; L169-F308 HydrophobicContact CD1-CG 4.4Å; L169-F308 HydrophobicContact CD2-CD1 3.76Å; L169-F308 HydrophobicContact CD2-CD2 4.14Å; L169-F308 HydrophobicContact CD2-CE1 3.71Å; L169-F308 HydrophobicContact CD2-CE2 4.1Å; L169-F308 HydrophobicContact CD2-CG 3.97Å; L169-F308 HydrophobicContact CD2-CZ 3.89Å; L169-F308 HydrophobicContact CG-CD1 4.34Å; L169-F308 HydrophobicContact CG-CG 4.27Å; F291-F308 AromaticContact CE1-CD1 3.58Å; F291-F308 HydrophobicContact CE1-CD1 3.58Å; F291-F308 AromaticContact CE1-CE1 3.91Å; F291-F308 HydrophobicContact CE1-CE1 3.91Å; F291-F308 HydrophobicContact CE2-CD1 4.25Å; F291-F308 AromaticContact CE2-CE1 3.71Å; F291-F308 HydrophobicContact CE2-CE1 3.71Å; F291-F308 AromaticContact CZ-CD1 3.31Å; F291-F308 HydrophobicContact CZ-CD1 3.31Å; F291-F308 AromaticContact CZ-CE1 3.21Å; F291-F308 HydrophobicContact CZ-CE1 3.21Å; D303-F308 WeakPolarHBondContact OD2-CA 3.41Å; D303-F308 WeakPolarHBondContact OD2-CB 3.48Å; D303-F308 PolarHBondContact OD2-N 3.46Å; F308-C310 VanDerWaalsContact C-N 3.26Å; F308-C310 PolarHBondContact O-N 2.88Å; F308-G312 CarbonylContact O-C 3.35Å; F308-G312 WeakPolarHBondContact O-CA 3.1Å; F308-G312 PolarHBondContact O-N 3.35Å; F308-V313 HydrophobicContact CD1-CG2 4.33Å; F308-V313 HydrophobicContact CE1-CG2 4.01Å; F308-V313 HydrophobicContact CZ-CG2 4.41Å; F308-V313 PolarHBondContact O-N 2.84Å |
| 309 | G | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | I | π-helix | trans | -59.5 | -33.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D303 D306 V313 | D303-G309 PolarHBondContact OD2-N 3.48Å; D303-G309 VanDerWaalsContact OD2-N 3.11Å; D306-G309 PolarHBondContact O-N 3.39Å; G309-V313 WeakPolarHBondContact O-CB 3.31Å |
| 310 | C | 98.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 12.1 Ų | 12.1 | 7% | 0.074 | 7% | 0.066 | C | C | . | . | I | π-helix | trans | -96.1 | -50.4 | 179.6 | -60.3 | 0 | 0 | 0 | 0 | 112.5 | V260 D306 F308 G314 | V260-C310 HydrophobicContact CG1-CB 3.76Å; D306-C310 VanDerWaalsContact O-CB 3.29Å; D306-C310 WeakPolarHBondContact O-CB 3.41Å; D306-C310 PolarHBondContact O-N 2.96Å; D306-C310 PolarHBondContact O-SG 2.87Å; F308-C310 VanDerWaalsContact C-N 3.26Å; F308-C310 PolarHBondContact O-N 2.88Å; C310-G314 WeakPolarHBondContact O-CA 3.26Å; C310-G314 PolarHBondContact O-N 3.48Å |
| 311 | H | 98.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 12.3 Ų | 12.3 | 2% | 0.023 | 7% | 0.066 | C | C | . | . | I | π-helix | trans | -88.5 | -45.8 | -174.9 | -60.6 | -84.6 | 0 | 0 | 0 | 112.6 | I107 H161 V263 A307 G315 | I107-H311 HydrophobicContact CG2-CB 3.94Å; I107-H311 VanDerWaalsContact CG2-CD2 3.42Å; I107-H311 WeakPolarHBondContact CG2-CD2 3.41Å; H161-H311 HydrophobicContact CB-CB 4.31Å; H161-H311 WeakPolarHBondContact CB-O 3.39Å; H161-H311 AromaticContact CE1-ND1 3.93Å; H161-H311 AromaticContact ND1-ND1 3.39Å; H161-H311 PolarHBondContact ND1-ND1 3.09Å; H161-H311 CarbonylContact O-C 3.55Å; V263-H311 VanDerWaalsContact CG2-ND1 3.29Å; V263-H311 WeakPolarHBondContact CG2-ND1 3.26Å; A307-H311 WeakPolarHBondContact O-CA 3.37Å; A307-H311 WeakPolarHBondContact O-CB 3.37Å; A307-H311 PolarHBondContact O-CD2 3.49Å; A307-H311 PolarHBondContact O-N 3.41Å; H311-G315 WeakPolarHBondContact O-CA 3.33Å; H311-G315 PolarHBondContact O-N 2.89Å |
| 312 | G | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.061 | C | C | . | . | I | π-helix | trans | -62.3 | -59.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A307 F308 G315 I316 | A307-G312 PolarHBondContact O-N 2.86Å; F308-G312 CarbonylContact O-C 3.35Å; F308-G312 WeakPolarHBondContact O-CA 3.1Å; F308-G312 PolarHBondContact O-N 3.35Å; G312-G315 PolarHBondContact O-N 2.81Å; G312-I316 WeakPolarHBondContact O-CD1 3.4Å; G312-I316 WeakPolarHBondContact O-CG1 3.17Å; G312-I316 PolarHBondContact O-N 2.66Å |
| 313 | V | 98.8 | Very high | 98.2 | Very high | 20 Ų | 20 | 11.1 Ų | 11.1 | 12% | 0.121 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -66.6 | -43.6 | -179.4 | 179.3 | 0 | 0 | 0 | 0 | 111.8 | F291 F308 G309 G315 I316 F317 | F291-V313 HydrophobicContact CB-CG1 4.31Å; F291-V313 HydrophobicContact CB-CG2 4.15Å; F291-V313 HydrophobicContact CD1-CG2 3.75Å; F291-V313 HydrophobicContact CD2-CG2 3.74Å; F291-V313 HydrophobicContact CE1-CG2 4.06Å; F291-V313 HydrophobicContact CE2-CG2 4.06Å; F291-V313 HydrophobicContact CG-CG2 3.59Å; F291-V313 HydrophobicContact CZ-CG2 4.2Å; F308-V313 HydrophobicContact CD1-CG2 4.33Å; F308-V313 HydrophobicContact CE1-CG2 4.01Å; F308-V313 HydrophobicContact CZ-CG2 4.41Å; F308-V313 PolarHBondContact O-N 2.84Å; G309-V313 WeakPolarHBondContact O-CB 3.31Å; V313-G315 VanDerWaalsContact C-N 3.32Å; V313-G315 PolarHBondContact O-N 3.49Å; V313-I316 PolarHBondContact O-N 3.26Å; V313-F317 WeakPolarHBondContact O-CB 3.25Å; V313-F317 PolarHBondContact O-N 3.35Å |
| 314 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.5 | -40.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C310 G318 | C310-G314 WeakPolarHBondContact O-CA 3.26Å; C310-G314 PolarHBondContact O-N 3.48Å; G314-G318 PolarHBondContact O-N 2.8Å |
| 315 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -67.8 | -43.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H311 G312 V313 G318 G319 | H311-G315 WeakPolarHBondContact O-CA 3.33Å; H311-G315 PolarHBondContact O-N 2.89Å; G312-G315 PolarHBondContact O-N 2.81Å; V313-G315 VanDerWaalsContact C-N 3.32Å; V313-G315 PolarHBondContact O-N 3.49Å; G315-G318 PolarHBondContact O-N 3Å; G315-G319 PolarHBondContact O-N 2.94Å |
| 316 | I | 98.9 | Very high | 98.6 | Very high | 39 Ų | 39 | 13.1 Ų | 13.1 | 20% | 0.2 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.1 | -52.2 | 173.4 | -70.6 | 162.2 | 0 | 0 | 0 | 109.8 | I162 G312 V313 G318 G319 I320 V351 L355 | I162-I316 HydrophobicContact CD1-CG1 4.4Å; I162-I316 HydrophobicContact CG1-CG1 4.13Å; I162-I316 HydrophobicContact CG2-CG1 4.49Å; G312-I316 WeakPolarHBondContact O-CD1 3.4Å; G312-I316 WeakPolarHBondContact O-CG1 3.17Å; G312-I316 PolarHBondContact O-N 2.66Å; V313-I316 PolarHBondContact O-N 3.26Å; I316-G318 VanDerWaalsContact C-N 3.33Å; I316-G318 PolarHBondContact O-N 3.18Å; I316-G319 PolarHBondContact O-N 3.05Å; I316-I320 HydrophobicContact CG2-CD1 3.83Å; I316-I320 VanDerWaalsContact O-CG1 3.26Å; I316-I320 WeakPolarHBondContact O-CG1 3.35Å; I316-I320 PolarHBondContact O-N 3.4Å; I316-I320 VanDerWaalsContact O-N 3.12Å; I316-V351 HydrophobicContact CB-CG1 4.42Å; I316-V351 HydrophobicContact CG1-CG1 4.01Å; I316-V351 HydrophobicContact CG2-CG1 4.18Å; I316-L355 HydrophobicContact CD1-CD1 4.08Å; I316-L355 HydrophobicContact CD1-CD2 4.09Å; I316-L355 HydrophobicContact CG1-CD1 4.34Å; I316-L355 HydrophobicContact CG1-CD2 4.48Å |
| 317 | F | 98.9 | Very high | 98.6 | Very high | 20 Ų | 20 | 12.4 Ų | 12.4 | 9% | 0.088 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -55.7 | -51.1 | 177.8 | 174.6 | -92.2 | 0 | 0 | 0 | 110.4 | A264 I280 L283 V284 F287 V313 G319 I320 V321 | A264-F317 HydrophobicContact CB-CD1 4.05Å; A264-F317 HydrophobicContact CB-CE1 4.48Å; I280-F317 HydrophobicContact CG2-CE1 4.12Å; L283-F317 HydrophobicContact CB-CE2 4.21Å; L283-F317 HydrophobicContact CB-CZ 3.64Å; V284-F317 HydrophobicContact CB-CD1 3.65Å; V284-F317 HydrophobicContact CB-CE1 3.7Å; V284-F317 HydrophobicContact CB-CG 4.4Å; V284-F317 HydrophobicContact CB-CZ 4.49Å; V284-F317 HydrophobicContact CG2-CB 4.5Å; V284-F317 HydrophobicContact CG2-CD1 3.82Å; V284-F317 HydrophobicContact CG2-CE1 4.39Å; V284-F317 HydrophobicContact CG2-CG 4.27Å; F287-F317 AromaticContact CD2-CD2 3.57Å; F287-F317 HydrophobicContact CD2-CD2 3.57Å; F287-F317 AromaticContact CD2-CE2 3.45Å; F287-F317 HydrophobicContact CD2-CE2 3.45Å; F287-F317 VanDerWaalsContact CD2-CE2 3.45Å; F287-F317 HydrophobicContact CD2-CZ 4.4Å; F287-F317 AromaticContact CE2-CD2 3.9Å; F287-F317 HydrophobicContact CE2-CD2 3.9Å; F287-F317 AromaticContact CE2-CE2 3.49Å; F287-F317 HydrophobicContact CE2-CE2 3.49Å; F287-F317 VanDerWaalsContact CE2-CE2 3.49Å; F287-F317 HydrophobicContact CG-CD2 4.01Å; F287-F317 HydrophobicContact CG-CE2 4.35Å; F287-F317 HydrophobicContact CZ-CE2 4.37Å; V313-F317 WeakPolarHBondContact O-CB 3.25Å; V313-F317 PolarHBondContact O-N 3.35Å; F317-G319 PolarHBondContact O-N 3.45Å; F317-I320 PolarHBondContact O-N 3.28Å; F317-V321 HydrophobicContact CD1-CG1 4.37Å; F317-V321 HydrophobicContact CD1-CG2 4.23Å; F317-V321 HydrophobicContact CD2-CG1 4.17Å; F317-V321 HydrophobicContact CE1-CG1 3.98Å; F317-V321 HydrophobicContact CE1-CG2 3.97Å; F317-V321 HydrophobicContact CE2-CG1 3.74Å; F317-V321 HydrophobicContact CG-CG1 4.46Å; F317-V321 HydrophobicContact CZ-CG1 3.64Å; F317-V321 HydrophobicContact CZ-CG2 4.44Å; F317-V321 WeakPolarHBondContact O-CG1 3.4Å; F317-V321 VanDerWaalsContact O-CG2 3.28Å; F317-V321 WeakPolarHBondContact O-CG2 3.38Å; F317-V321 PolarHBondContact O-N 3.29Å |
| 318 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -56.1 | -47.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A264 P267 G314 G315 I316 V321 T322 | A264-G318 WeakPolarHBondContact O-CA 3.39Å; P267-G318 VanDerWaalsContact CG-C 3.41Å; G314-G318 PolarHBondContact O-N 2.8Å; G315-G318 PolarHBondContact O-N 3Å; I316-G318 VanDerWaalsContact C-N 3.33Å; I316-G318 PolarHBondContact O-N 3.18Å; G318-V321 WeakPolarHBondContact O-CG2 3.27Å; G318-T322 WeakPolarHBondContact O-CB 3.49Å; G318-T322 PolarHBondContact O-N 3.37Å; G318-T322 PolarHBondContact O-OG1 3.43Å |
| 319 | G | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.7 | -45.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | G315 I316 F317 T322 G323 Q347 | G315-G319 PolarHBondContact O-N 2.94Å; I316-G319 PolarHBondContact O-N 3.05Å; F317-G319 PolarHBondContact O-N 3.45Å; G319-T322 PolarHBondContact O-N 2.94Å; G319-G323 PolarHBondContact O-N 2.95Å; G319-Q347 PolarHBondContact O-NE2 3.18Å |
| 320 | I | 98.8 | Very high | 98.4 | Very high | 50 Ų | 50 | 20 Ų | 20 | 26% | 0.256 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -64.3 | -51.3 | 178.3 | -63.3 | 174.2 | 0 | 0 | 0 | 110.8 | I316 F317 T322 G323 I324 F344 I348 | I316-I320 HydrophobicContact CG2-CD1 3.83Å; I316-I320 VanDerWaalsContact O-CG1 3.26Å; I316-I320 WeakPolarHBondContact O-CG1 3.35Å; I316-I320 PolarHBondContact O-N 3.4Å; I316-I320 VanDerWaalsContact O-N 3.12Å; F317-I320 PolarHBondContact O-N 3.28Å; I320-T322 PolarHBondContact O-N 2.89Å; I320-G323 PolarHBondContact O-N 3.47Å; I320-G323 VanDerWaalsContact O-N 3.07Å; I320-I324 HydrophobicContact CG2-CD1 4.34Å; I320-I324 PolarHBondContact O-N 2.8Å; I320-F344 HydrophobicContact CG2-CE2 3.98Å; I320-I348 HydrophobicContact CB-CD1 4.41Å; I320-I348 HydrophobicContact CD1-CD1 4.18Å; I320-I348 HydrophobicContact CG1-CD1 3.75Å; I320-I348 HydrophobicContact CG2-CD1 4.06Å |
| 321 | V | 98.6 | Very high | 98.2 | Very high | 12 Ų | 12 | 21.3 Ų | 21.3 | 7% | 0.073 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.3 | -24.2 | -177.1 | -59.2 | 0 | 0 | 0 | 0 | 112.6 | I280 F317 G318 G323 I324 F325 | I280-V321 HydrophobicContact CD1-CG2 4.04Å; I280-V321 HydrophobicContact CG1-CB 4.41Å; I280-V321 HydrophobicContact CG1-CG2 3.77Å; I280-V321 HydrophobicContact CG2-CG2 4.15Å; F317-V321 HydrophobicContact CD1-CG1 4.37Å; F317-V321 HydrophobicContact CD1-CG2 4.23Å; F317-V321 HydrophobicContact CD2-CG1 4.17Å; F317-V321 HydrophobicContact CE1-CG1 3.98Å; F317-V321 HydrophobicContact CE1-CG2 3.97Å; F317-V321 HydrophobicContact CE2-CG1 3.74Å; F317-V321 HydrophobicContact CG-CG1 4.46Å; F317-V321 HydrophobicContact CZ-CG1 3.64Å; F317-V321 HydrophobicContact CZ-CG2 4.44Å; F317-V321 WeakPolarHBondContact O-CG1 3.4Å; F317-V321 VanDerWaalsContact O-CG2 3.28Å; F317-V321 WeakPolarHBondContact O-CG2 3.38Å; F317-V321 PolarHBondContact O-N 3.29Å; G318-V321 WeakPolarHBondContact O-CG2 3.27Å; V321-G323 VanDerWaalsContact C-N 3.34Å; V321-I324 WeakPolarHBondContact O-CB 3.48Å; V321-I324 PolarHBondContact O-N 3.38Å; V321-I324 VanDerWaalsContact O-N 3.12Å; V321-F325 HydrophobicContact CB-CD2 4.05Å; V321-F325 HydrophobicContact CB-CE2 4.35Å; V321-F325 WeakPolarHBondContact O-CB 3.29Å; V321-F325 WeakPolarHBondContact O-CD2 3.21Å; V321-F325 PolarHBondContact O-N 3.43Å |
| 322 | T | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.2 | -43.4 | 169.5 | -61.9 | 0 | 0 | 0 | 0 | 110.8 | I152 G268 G318 G319 I320 I324 F325 A326 | I152-T322 HydrophobicContact CD1-CG2 3.89Å; I152-T322 HydrophobicContact CG1-CG2 3.89Å; G268-T322 WeakPolarHBondContact CA-OG1 3.35Å; G268-T322 PolarHBondContact N-OG1 3.09Å; G318-T322 WeakPolarHBondContact O-CB 3.49Å; G318-T322 PolarHBondContact O-N 3.37Å; G318-T322 PolarHBondContact O-OG1 3.43Å; G319-T322 PolarHBondContact O-N 2.94Å; I320-T322 PolarHBondContact O-N 2.89Å; T322-I324 PolarHBondContact O-N 3.4Å; T322-F325 PolarHBondContact O-N 2.86Å; T322-A326 VanDerWaalsContact O-CB 3.27Å; T322-A326 WeakPolarHBondContact O-CB 3.24Å; T322-A326 PolarHBondContact O-N 3.47Å |
| 323 | G | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.8 | -20.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | G319 I320 V321 G335 L336 | G319-G323 PolarHBondContact O-N 2.95Å; I320-G323 PolarHBondContact O-N 3.47Å; I320-G323 VanDerWaalsContact O-N 3.07Å; V321-G323 VanDerWaalsContact C-N 3.34Å; G323-G335 CarbonylContact O-C 3.56Å; G323-G335 VanDerWaalsContact O-CA 3.23Å; G323-G335 WeakPolarHBondContact O-CA 3.46Å; G323-L336 PolarHBondContact O-N 2.89Å |
| 324 | I | 98.6 | Very high | 97.8 | Very high | 40 Ų | 40 | 29.5 Ų | 29.5 | 21% | 0.205 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -83.8 | -47.6 | 175.7 | -62.5 | 174.7 | 0 | 0 | 0 | 111.2 | I320 V321 T322 G335 L336 I337 F344 | I320-I324 HydrophobicContact CG2-CD1 4.34Å; I320-I324 PolarHBondContact O-N 2.8Å; V321-I324 WeakPolarHBondContact O-CB 3.48Å; V321-I324 PolarHBondContact O-N 3.38Å; V321-I324 VanDerWaalsContact O-N 3.12Å; T322-I324 PolarHBondContact O-N 3.4Å; I324-G335 CarbonylContact O-C 3.21Å; I324-L336 PolarHBondContact O-N 3.26Å; I324-I337 HydrophobicContact CG2-CG2 3.68Å; I324-I337 WeakPolarHBondContact O-CG1 3.28Å; I324-I337 PolarHBondContact O-N 3.06Å; I324-F344 HydrophobicContact CD1-CE2 3.96Å; I324-F344 HydrophobicContact CG1-CD2 3.66Å; I324-F344 HydrophobicContact CG1-CE2 3.6Å |
| 325 | F | 98.6 | Very high | 97.8 | Very high | 27 Ų | 27 | 29.5 Ų | 29.5 | 12% | 0.118 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -104.3 | 2.4 | -167.5 | -69.6 | -70.2 | 0 | 0 | 0 | 115.1 | V272 W275 L279 I280 V321 T322 D327 I337 | V272-F325 HydrophobicContact CB-CB 4.35Å; V272-F325 HydrophobicContact CG1-CB 4.03Å; W275-F325 AromaticContact CH2-CD1 3.75Å; W275-F325 HydrophobicContact CH2-CD1 3.75Å; W275-F325 AromaticContact CH2-CE1 3.62Å; W275-F325 HydrophobicContact CH2-CE1 3.62Å; W275-F325 HydrophobicContact CZ2-CD1 4.37Å; W275-F325 HydrophobicContact CZ3-CD1 4.31Å; W275-F325 AromaticContact CZ3-CE1 3.94Å; W275-F325 HydrophobicContact CZ3-CE1 3.94Å; L279-F325 HydrophobicContact CD1-CE1 4.34Å; L279-F325 HydrophobicContact CD1-CZ 4.21Å; I280-F325 HydrophobicContact CD1-CD2 4.47Å; I280-F325 HydrophobicContact CG1-CD2 4.3Å; V321-F325 HydrophobicContact CB-CD2 4.05Å; V321-F325 HydrophobicContact CB-CE2 4.35Å; V321-F325 WeakPolarHBondContact O-CB 3.29Å; V321-F325 WeakPolarHBondContact O-CD2 3.21Å; V321-F325 PolarHBondContact O-N 3.43Å; T322-F325 PolarHBondContact O-N 2.86Å; F325-D327 PolarHBondContact O-N 3.07Å; F325-D327 VanDerWaalsContact O-N 3.08Å; F325-I337 HydrophobicContact CD1-CD1 3.56Å; F325-I337 HydrophobicContact CE1-CD1 3.93Å |
| 326 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -54.2 | 118.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | I152 F271 T322 K333 G335 Y338 L343 | I152-A326 HydrophobicContact CD1-CB 4.28Å; F271-A326 CarbonylContact O-C 3.57Å; F271-A326 WeakPolarHBondContact O-CA 3.48Å; T322-A326 VanDerWaalsContact O-CB 3.27Å; T322-A326 WeakPolarHBondContact O-CB 3.24Å; T322-A326 PolarHBondContact O-N 3.47Å; A326-K333 CarbonylContact C-O 3.45Å; A326-K333 HydrophobicContact CB-CB 4.26Å; A326-G335 WeakPolarHBondContact O-CA 3.47Å; A326-G335 PolarHBondContact O-N 3.46Å; A326-Y338 WeakPolarHBondContact O-CD2 3.36Å; A326-Y338 WeakPolarHBondContact O-CE2 3.23Å; A326-L343 HydrophobicContact CB-CD2 3.58Å |
| 327 | D | 98.2 | Very high | 97.7 | Very high | 18 Ų | 18 | 35 Ų | 35 | 10% | 0.096 | 22% | 0.216 | C | C | . | . | trans | -98.5 | 123.2 | -172.7 | -172.9 | -42 | 0 | 0 | 0 | 108.8 | F271 F325 S329 V330 K333 Y338 | F271-D327 PolarHBondContact O-N 3.49Å; F325-D327 PolarHBondContact O-N 3.07Å; F325-D327 VanDerWaalsContact O-N 3.08Å; D327-S329 VanDerWaalsContact CG-OG 3.28Å; D327-S329 PolarHBondContact O-N 2.91Å; D327-S329 WeakPolarHBondContact OD1-CB 3.45Å; D327-S329 PolarHBondContact OD1-N 3.25Å; D327-S329 PolarHBondContact OD1-OG 3.32Å; D327-V330 HydrophobicContact CB-CB 4.26Å; D327-V330 HydrophobicContact CB-CG2 4.17Å; D327-V330 CarbonylContact O-C 3.44Å; D327-V330 WeakPolarHBondContact O-CA 3.49Å; D327-V330 PolarHBondContact O-N 2.86Å; D327-K333 CarbonylContact C-O 3.6Å; D327-Y338 HydrophobicContact CB-CE2 3.98Å; D327-Y338 VanDerWaalsContact CG-OH 3.28Å; D327-Y338 PolarHBondContact OD2-OH 3.44Å | ||
| 328 | P | 97 | Very high | 97.7 | Very high | 61 Ų | 61 | 37.8 Ų | 37.8 | 40% | 0.396 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -26.7 | -179.8 | 17.8 | -29.7 | 0 | 0 | 0 | 114.1 | V330 K333 V334 Y338 | P328-V330 VanDerWaalsContact C-N 3.25Å; P328-V330 PolarHBondContact O-N 3.41Å; P328-K333 WeakPolarHBondContact CA-O 3.41Å; P328-V334 HydrophobicContact CB-CG2 4.17Å; P328-Y338 HydrophobicContact CG-CD1 4.21Å; P328-Y338 HydrophobicContact CG-CG 4.39Å |
| 329 | S | 96.8 | Very high | 97.5 | Very high | 98 Ų | 98 | 41 Ų | 41 | 69% | 0.685 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -11 | 176.7 | 69.7 | 0 | 0 | 0 | 0 | 113.7 | D327 | D327-S329 VanDerWaalsContact CG-OG 3.28Å; D327-S329 PolarHBondContact O-N 2.91Å; D327-S329 WeakPolarHBondContact OD1-CB 3.45Å; D327-S329 PolarHBondContact OD1-N 3.25Å; D327-S329 PolarHBondContact OD1-OG 3.32Å |
| 330 | V | 96.7 | Very high | 97.4 | Very high | 16 Ų | 16 | 45 Ų | 45 | 10% | 0.097 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -123.1 | 106.7 | -177.5 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | H222 G270 D327 P328 G332 | H222-V330 VanDerWaalsContact NE2-CG1 3.31Å; H222-V330 WeakPolarHBondContact NE2-CG1 3.29Å; G270-V330 WeakPolarHBondContact O-CG1 3.44Å; D327-V330 HydrophobicContact CB-CB 4.26Å; D327-V330 HydrophobicContact CB-CG2 4.17Å; D327-V330 CarbonylContact O-C 3.44Å; D327-V330 WeakPolarHBondContact O-CA 3.49Å; D327-V330 PolarHBondContact O-N 2.86Å; P328-V330 VanDerWaalsContact C-N 3.25Å; P328-V330 PolarHBondContact O-N 3.41Å; V330-G332 PolarHBondContact O-N 3.12Å; V330-G332 VanDerWaalsContact O-N 3.1Å |
| 331 | G | 93.1 | Very high | 97.3 | Very high | 40 Ų | 40 | 46.3 Ų | 46.3 | 41% | 0.412 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 3.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | K333 | G331-K333 PolarHBondContact O-N 2.88Š|
| 332 | G | 94.5 | Very high | 97.3 | Very high | 56 Ų | 56 | 51 Ų | 51 | 58% | 0.577 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 15.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | V330 | V330-G332 PolarHBondContact O-N 3.12Å; V330-G332 VanDerWaalsContact O-N 3.1Å |
| 333 | K | 97 | Very high | 97.3 | Very high | 88 Ų | 88 | 51.4 Ų | 51.4 | 38% | 0.383 | 31% | 0.311 | S | S | . | . | trans | -106.7 | 142.7 | 179.9 | -59.3 | -68 | -178 | 172.4 | 0 | 110.2 | I152 F271 A326 D327 P328 G331 L343 | I152-K333 HydrophobicContact CD1-CB 3.93Å; I152-K333 HydrophobicContact CD1-CG 3.98Å; I152-K333 HydrophobicContact CG2-CD 3.94Å; I152-K333 HydrophobicContact CG2-CG 4.07Å; F271-K333 HydrophobicContact CD1-CB 4.21Å; F271-K333 HydrophobicContact CD1-CG 3.74Å; F271-K333 HydrophobicContact CE1-CG 3.7Å; A326-K333 CarbonylContact C-O 3.45Å; A326-K333 HydrophobicContact CB-CB 4.26Å; D327-K333 CarbonylContact C-O 3.6Å; P328-K333 WeakPolarHBondContact CA-O 3.41Å; G331-K333 PolarHBondContact O-N 2.88Å; K333-L343 HydrophobicContact CB-CD2 4.13Å | ||
| 334 | V | 98 | Very high | 97.3 | Very high | 53 Ų | 53 | 54 Ų | 54 | 32% | 0.321 | 32% | 0.322 | S | S | . | . | trans | -109.2 | 116.1 | -175.6 | -165.4 | 0 | 0 | 0 | 0 | 109.7 | P328 E340 L343 | P328-V334 HydrophobicContact CB-CG2 4.17Å; V334-E340 HydrophobicContact CB-CB 3.7Å; V334-E340 HydrophobicContact CB-CG 4.3Å; V334-E340 HydrophobicContact CG1-CB 3.6Å; V334-L343 WeakPolarHBondContact O-CB 3.49Å; V334-L343 WeakPolarHBondContact O-CD2 3.35Å | ||
| 335 | G | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -88.9 | 174 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G323 I324 A326 I337 Y338 G339 E340 | G323-G335 CarbonylContact O-C 3.56Å; G323-G335 VanDerWaalsContact O-CA 3.23Å; G323-G335 WeakPolarHBondContact O-CA 3.46Å; I324-G335 CarbonylContact O-C 3.21Å; A326-G335 WeakPolarHBondContact O-CA 3.47Å; A326-G335 PolarHBondContact O-N 3.46Å; G335-I337 VanDerWaalsContact C-N 3.34Å; G335-I337 PolarHBondContact O-N 3.41Å; G335-Y338 PolarHBondContact O-N 2.97Å; G335-G339 PolarHBondContact O-N 3.19Å; G335-E340 CarbonylContact C-O 3.49Å | ||
| 336 | L | 98.2 | Very high | 97.3 | Very high | 67 Ų | 67 | 55 Ų | 55 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -54.5 | -43 | -174.6 | -172.2 | 61.4 | 0 | 0 | 0 | 114.1 | G323 I324 Y338 G339 E340 T341 F344 | G323-L336 PolarHBondContact O-N 2.89Å; I324-L336 PolarHBondContact O-N 3.26Å; L336-Y338 PolarHBondContact O-N 3.42Å; L336-G339 PolarHBondContact O-N 3Å; L336-E340 VanDerWaalsContact CA-O 3.29Å; L336-E340 WeakPolarHBondContact CA-O 3.48Å; L336-E340 PolarHBondContact N-O 2.92Å; L336-T341 HydrophobicContact CD1-CG2 3.88Å; L336-F344 HydrophobicContact CB-CB 4.3Å; L336-F344 HydrophobicContact CD2-CD1 4.34Å; L336-F344 HydrophobicContact CD2-CD2 4.33Å; L336-F344 HydrophobicContact CD2-CG 4.21Å |
| 337 | I | 97.8 | Very high | 97.3 | Very high | 88 Ų | 88 | 55 Ų | 55 | 45% | 0.451 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -72.2 | -14.6 | -178 | 72.3 | 172.7 | 0 | 0 | 0 | 113 | W275 I324 F325 G335 | W275-I337 HydrophobicContact CH2-CD1 3.76Å; W275-I337 HydrophobicContact CZ2-CD1 3.82Å; I324-I337 HydrophobicContact CG2-CG2 3.68Å; I324-I337 WeakPolarHBondContact O-CG1 3.28Å; I324-I337 PolarHBondContact O-N 3.06Å; F325-I337 HydrophobicContact CD1-CD1 3.56Å; F325-I337 HydrophobicContact CE1-CD1 3.93Å; G335-I337 VanDerWaalsContact C-N 3.34Å; G335-I337 PolarHBondContact O-N 3.41Å |
| 338 | Y | 97.4 | Very high | 97.3 | Very high | 77 Ų | 77 | 56.7 Ų | 56.7 | 30% | 0.302 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -99.1 | 5.1 | 177.5 | -62.5 | -84.7 | 0 | 0 | 0 | 112.4 | A326 D327 P328 G335 L336 | A326-Y338 WeakPolarHBondContact O-CD2 3.36Å; A326-Y338 WeakPolarHBondContact O-CE2 3.23Å; D327-Y338 HydrophobicContact CB-CE2 3.98Å; D327-Y338 VanDerWaalsContact CG-OH 3.28Å; D327-Y338 PolarHBondContact OD2-OH 3.44Å; P328-Y338 HydrophobicContact CG-CD1 4.21Å; P328-Y338 HydrophobicContact CG-CG 4.39Å; G335-Y338 PolarHBondContact O-N 2.97Å; L336-Y338 PolarHBondContact O-N 3.42Å |
| 339 | G | 96.2 | Very high | 97.4 | Very high | 68 Ų | 68 | 58.6 Ų | 58.6 | 70% | 0.701 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.2 | 2.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | G335 L336 | G335-G339 PolarHBondContact O-N 3.19Å; L336-G339 PolarHBondContact O-N 3Å |
| 340 | E | 95 | Very high | 97.5 | Very high | 84 Ų | 84 | 53.9 Ų | 53.9 | 39% | 0.393 | 31% | 0.308 | S | S | . | . | trans | -111.3 | 130.9 | -178.6 | -175.9 | 56.3 | -117.8 | 0 | 0 | 111.7 | V334 G335 L336 H342 | V334-E340 HydrophobicContact CB-CB 3.7Å; V334-E340 HydrophobicContact CB-CG 4.3Å; V334-E340 HydrophobicContact CG1-CB 3.6Å; G335-E340 CarbonylContact C-O 3.49Å; L336-E340 VanDerWaalsContact CA-O 3.29Å; L336-E340 WeakPolarHBondContact CA-O 3.48Å; L336-E340 PolarHBondContact N-O 2.92Å; E340-H342 HydrophobicContact CG-CB 4.36Å; E340-H342 VanDerWaalsContact OE1-CB 3.28Å; E340-H342 WeakPolarHBondContact OE1-CB 3.49Å; E340-H342 PolarHBondContact OE1-N 3.19Å; E340-H342 VanDerWaalsContact OE1-N 3.12Å | ||
| 341 | T | 97.9 | Very high | 97.6 | Very high | 79 Ų | 79 | 53.3 Ų | 53.3 | 49% | 0.485 | 31% | 0.305 | S | S | . | . | trans | -99.5 | -24.4 | -178 | 55.7 | 0 | 0 | 0 | 0 | 113 | L336 L343 F344 I345 | L336-T341 HydrophobicContact CD1-CG2 3.88Å; T341-L343 PolarHBondContact O-N 3.26Å; T341-F344 PolarHBondContact O-N 3.19Å; T341-I345 PolarHBondContact O-N 3.16Å; T341-I345 VanDerWaalsContact O-N 3.13Å | ||
| 342 | H | 98.2 | Very high | 97.9 | Very high | 110 Ų | 110 | 56.2 Ų | 56.2 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.7 | -50.2 | -176.1 | 177.6 | -83.8 | 0 | 0 | 0 | 112.1 | I149 E340 F344 I345 A346 | I149-H342 PolarHBondContact O-CE1 3.13Å; E340-H342 HydrophobicContact CG-CB 4.36Å; E340-H342 VanDerWaalsContact OE1-CB 3.28Å; E340-H342 WeakPolarHBondContact OE1-CB 3.49Å; E340-H342 PolarHBondContact OE1-N 3.19Å; E340-H342 VanDerWaalsContact OE1-N 3.12Å; H342-F344 VanDerWaalsContact C-N 3.32Å; H342-F344 PolarHBondContact O-N 3.26Å; H342-I345 PolarHBondContact O-N 2.9Å; H342-A346 WeakPolarHBondContact O-CB 3.43Å; H342-A346 PolarHBondContact O-N 2.88Å |
| 343 | L | 98.4 | Very high | 98.1 | Very high | 9 Ų | 9 | 56.2 Ų | 56.2 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.9 | -42 | -178.9 | 178.9 | 61.9 | 0 | 0 | 0 | 111.9 | G150 I152 A326 K333 V334 T341 I345 A346 Q347 | G150-L343 WeakPolarHBondContact O-CD1 3.43Å; I152-L343 HydrophobicContact CB-CD1 4.48Å; I152-L343 HydrophobicContact CD1-CD1 3.97Å; I152-L343 HydrophobicContact CD1-CD2 3.81Å; I152-L343 HydrophobicContact CD1-CG 4.45Å; I152-L343 HydrophobicContact CG1-CD1 3.97Å; I152-L343 HydrophobicContact CG2-CD1 3.98Å; A326-L343 HydrophobicContact CB-CD2 3.58Å; K333-L343 HydrophobicContact CB-CD2 4.13Å; V334-L343 WeakPolarHBondContact O-CB 3.49Å; V334-L343 WeakPolarHBondContact O-CD2 3.35Å; T341-L343 PolarHBondContact O-N 3.26Å; L343-I345 VanDerWaalsContact C-N 3.34Å; L343-I345 PolarHBondContact O-N 3.26Å; L343-A346 PolarHBondContact O-N 3.33Å; L343-Q347 HydrophobicContact CD1-CG 4.35Å; L343-Q347 WeakPolarHBondContact O-CG 3.46Å; L343-Q347 PolarHBondContact O-N 3.27Å |
| 344 | F | 98.6 | Very high | 98.2 | Very high | 54 Ų | 54 | 52 Ų | 52 | 24% | 0.237 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 178.3 | 176.9 | -105 | 0 | 0 | 0 | 111.3 | I320 I324 L336 T341 H342 Q347 I348 | I320-F344 HydrophobicContact CG2-CE2 3.98Å; I324-F344 HydrophobicContact CD1-CE2 3.96Å; I324-F344 HydrophobicContact CG1-CD2 3.66Å; I324-F344 HydrophobicContact CG1-CE2 3.6Å; L336-F344 HydrophobicContact CB-CB 4.3Å; L336-F344 HydrophobicContact CD2-CD1 4.34Å; L336-F344 HydrophobicContact CD2-CD2 4.33Å; L336-F344 HydrophobicContact CD2-CG 4.21Å; T341-F344 PolarHBondContact O-N 3.19Å; H342-F344 VanDerWaalsContact C-N 3.32Å; H342-F344 PolarHBondContact O-N 3.26Å; F344-Q347 PolarHBondContact O-N 2.96Å; F344-I348 HydrophobicContact CE1-CG1 4.27Å; F344-I348 HydrophobicContact CE2-CD1 4.29Å; F344-I348 HydrophobicContact CZ-CD1 4.15Å; F344-I348 HydrophobicContact CZ-CG1 4.23Å; F344-I348 WeakPolarHBondContact O-CG1 3.49Å; F344-I348 PolarHBondContact O-N 2.81Å; F344-I348 VanDerWaalsContact O-N 3.14Å |
| 345 | I | 98.7 | Very high | 98.2 | Very high | 88 Ų | 88 | 51.4 Ų | 51.4 | 45% | 0.451 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 176.8 | -64.9 | 169.4 | 0 | 0 | 0 | 110.6 | T341 H342 L343 Q347 I348 E349 | T341-I345 PolarHBondContact O-N 3.16Å; T341-I345 VanDerWaalsContact O-N 3.13Å; H342-I345 PolarHBondContact O-N 2.9Å; L343-I345 VanDerWaalsContact C-N 3.34Å; L343-I345 PolarHBondContact O-N 3.26Å; I345-Q347 VanDerWaalsContact C-N 3.28Å; I345-Q347 PolarHBondContact O-N 3.31Å; I345-I348 WeakPolarHBondContact O-CB 3.45Å; I345-I348 PolarHBondContact O-N 2.87Å; I345-E349 HydrophobicContact CG2-CG 4.36Å; I345-E349 WeakPolarHBondContact O-CG 3.46Å; I345-E349 PolarHBondContact O-N 3.08Å |
| 346 | A | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 2% | 0.017 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59 | -37.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I149 H342 L343 S350 | I149-A346 WeakPolarHBondContact O-CB 3.44Å; H342-A346 WeakPolarHBondContact O-CB 3.43Å; H342-A346 PolarHBondContact O-N 2.88Å; L343-A346 PolarHBondContact O-N 3.33Å; A346-S350 WeakPolarHBondContact O-CB 3.46Å; A346-S350 PolarHBondContact O-N 2.69Å |
| 347 | Q | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 173.1 | -69.5 | -62.1 | 85.7 | 0 | 0 | 112.1 | I152 G319 L343 F344 I345 S350 V351 | I152-Q347 PolarHBondContact O-NE2 2.83Å; I152-Q347 PolarHBondContact O-OE1 3.37Å; I152-Q347 VanDerWaalsContact O-OE1 3.1Å; G319-Q347 PolarHBondContact O-NE2 3.18Å; L343-Q347 HydrophobicContact CD1-CG 4.35Å; L343-Q347 WeakPolarHBondContact O-CG 3.46Å; L343-Q347 PolarHBondContact O-N 3.27Å; F344-Q347 PolarHBondContact O-N 2.96Å; I345-Q347 VanDerWaalsContact C-N 3.28Å; I345-Q347 PolarHBondContact O-N 3.31Å; Q347-S350 PolarHBondContact O-N 3.43Å; Q347-V351 WeakPolarHBondContact O-CB 3.37Å; Q347-V351 VanDerWaalsContact O-CG2 3.25Å; Q347-V351 WeakPolarHBondContact O-CG2 3.45Å; Q347-V351 PolarHBondContact O-N 3.46Å |
| 348 | I | 98.8 | Very high | 98.3 | Very high | 53 Ų | 53 | 51.4 Ų | 51.4 | 27% | 0.272 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61 | -48.7 | 176.2 | -61.1 | -49.5 | 0 | 0 | 0 | 110.5 | I320 F344 I345 S350 V351 L352 | I320-I348 HydrophobicContact CB-CD1 4.41Å; I320-I348 HydrophobicContact CD1-CD1 4.18Å; I320-I348 HydrophobicContact CG1-CD1 3.75Å; I320-I348 HydrophobicContact CG2-CD1 4.06Å; F344-I348 HydrophobicContact CE1-CG1 4.27Å; F344-I348 HydrophobicContact CE2-CD1 4.29Å; F344-I348 HydrophobicContact CZ-CD1 4.15Å; F344-I348 HydrophobicContact CZ-CG1 4.23Å; F344-I348 WeakPolarHBondContact O-CG1 3.49Å; F344-I348 PolarHBondContact O-N 2.81Å; F344-I348 VanDerWaalsContact O-N 3.14Å; I345-I348 WeakPolarHBondContact O-CB 3.45Å; I345-I348 PolarHBondContact O-N 2.87Å; I348-S350 VanDerWaalsContact C-N 3.34Å; I348-S350 PolarHBondContact O-N 2.85Å; I348-V351 PolarHBondContact O-N 2.94Å; I348-L352 HydrophobicContact CG2-CD1 3.86Å; I348-L352 HydrophobicContact CG2-CG 4.31Å; I348-L352 WeakPolarHBondContact O-CB 3.27Å; I348-L352 VanDerWaalsContact O-CG 3.31Å; I348-L352 WeakPolarHBondContact O-CG 3.48Å; I348-L352 PolarHBondContact O-N 3.14Å |
| 349 | E | 98.7 | Very high | 98.4 | Very high | 100 Ų | 100 | 48.1 Ų | 48.1 | 47% | 0.467 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 178.8 | -70.2 | 179.9 | 158.3 | 0 | 0 | 111.6 | I149 I345 L352 F353 | I149-E349 HydrophobicContact CD1-CB 4.05Å; I345-E349 HydrophobicContact CG2-CG 4.36Å; I345-E349 WeakPolarHBondContact O-CG 3.46Å; I345-E349 PolarHBondContact O-N 3.08Å; E349-L352 PolarHBondContact O-N 3.48Å; E349-F353 VanDerWaalsContact O-CB 3.25Å; E349-F353 WeakPolarHBondContact O-CB 3.19Å; E349-F353 PolarHBondContact O-N 3.08Å |
| 350 | S | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 179 | -171.6 | 0 | 0 | 0 | 0 | 112.6 | S151 N158 A346 Q347 I348 T354 | S151-S350 WeakPolarHBondContact OG-CB 3.11Å; S151-S350 PolarHBondContact OG-OG 3.33Å; S151-S350 VanDerWaalsContact OG-OG 3.11Å; N158-S350 PolarHBondContact ND2-OG 3.17Å; N158-S350 VanDerWaalsContact ND2-OG 3.09Å; A346-S350 WeakPolarHBondContact O-CB 3.46Å; A346-S350 PolarHBondContact O-N 2.69Å; Q347-S350 PolarHBondContact O-N 3.43Å; I348-S350 VanDerWaalsContact C-N 3.34Å; I348-S350 PolarHBondContact O-N 2.85Å; S350-T354 WeakPolarHBondContact O-CB 3.15Å; S350-T354 PolarHBondContact O-N 2.92Å; S350-T354 PolarHBondContact O-OG1 3.19Å |
| 351 | V | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.024 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64 | -48.2 | 175 | 169.4 | 0 | 0 | 0 | 0 | 111 | I162 I316 Q347 I348 T354 L355 | I162-V351 HydrophobicContact CD1-CG1 4.26Å; I162-V351 HydrophobicContact CD1-CG2 3.89Å; I316-V351 HydrophobicContact CB-CG1 4.42Å; I316-V351 HydrophobicContact CG1-CG1 4.01Å; I316-V351 HydrophobicContact CG2-CG1 4.18Å; Q347-V351 WeakPolarHBondContact O-CB 3.37Å; Q347-V351 VanDerWaalsContact O-CG2 3.25Å; Q347-V351 WeakPolarHBondContact O-CG2 3.45Å; Q347-V351 PolarHBondContact O-N 3.46Å; I348-V351 PolarHBondContact O-N 2.94Å; V351-T354 PolarHBondContact O-N 3Å; V351-L355 HydrophobicContact CG1-CD1 4.09Å; V351-L355 WeakPolarHBondContact O-CG 3.21Å; V351-L355 PolarHBondContact O-N 3.41Å |
| 352 | L | 98.8 | Very high | 98.8 | Very high | 101 Ų | 101 | 40.1 Ų | 40.1 | 53% | 0.529 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.6 | -44.4 | -179.8 | -71.2 | 176.8 | 0 | 0 | 0 | 111.7 | I348 E349 L355 V356 | I348-L352 HydrophobicContact CG2-CD1 3.86Å; I348-L352 HydrophobicContact CG2-CG 4.31Å; I348-L352 WeakPolarHBondContact O-CB 3.27Å; I348-L352 VanDerWaalsContact O-CG 3.31Å; I348-L352 WeakPolarHBondContact O-CG 3.48Å; I348-L352 PolarHBondContact O-N 3.14Å; E349-L352 PolarHBondContact O-N 3.48Å; L352-L355 PolarHBondContact O-N 3.17Å; L352-V356 WeakPolarHBondContact O-CG2 3.5Å; L352-V356 PolarHBondContact O-N 3.46Å |
| 353 | F | 98.8 | Very high | 98.8 | Very high | 55 Ų | 55 | 41.2 Ų | 41.2 | 24% | 0.241 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.2 | -48.2 | 175.3 | -178.5 | -83.7 | 0 | 0 | 0 | 110.7 | F68 M139 F145 L146 E349 L355 V356 F357 | F68-F353 HydrophobicContact CD1-CZ 4.3Å; F68-F353 HydrophobicContact CE1-CE2 4.3Å; F68-F353 HydrophobicContact CE1-CZ 4.03Å; M139-F353 HydrophobicContact CE-CE1 3.75Å; M139-F353 HydrophobicContact CE-CZ 4.35Å; M139-F353 HydrophobicContact SD-CD1 4.5Å; M139-F353 HydrophobicContact SD-CE1 3.44Å; M139-F353 WeakPolarHBondContact SD-CE1 3.3Å; M139-F353 HydrophobicContact SD-CZ 3.72Å; F145-F353 HydrophobicContact CD1-CD2 4.37Å; F145-F353 HydrophobicContact CD1-CE2 4.19Å; F145-F353 HydrophobicContact CD1-CZ 4.35Å; F145-F353 AromaticContact CE1-CD2 3.83Å; F145-F353 HydrophobicContact CE1-CD2 3.83Å; F145-F353 AromaticContact CE1-CE2 3.99Å; F145-F353 HydrophobicContact CE1-CE2 3.99Å; F145-F353 HydrophobicContact CE1-CG 4.28Å; L146-F353 HydrophobicContact CD1-CD1 4Å; L146-F353 HydrophobicContact CD2-CB 4.18Å; L146-F353 HydrophobicContact CD2-CD1 4.05Å; L146-F353 HydrophobicContact CD2-CG 4.15Å; L146-F353 HydrophobicContact CG-CD1 4.33Å; E349-F353 VanDerWaalsContact O-CB 3.25Å; E349-F353 WeakPolarHBondContact O-CB 3.19Å; E349-F353 PolarHBondContact O-N 3.08Å; F353-L355 VanDerWaalsContact C-N 3.32Å; F353-L355 PolarHBondContact O-N 3.43Å; F353-V356 PolarHBondContact O-N 3.33Å; F353-F357 HydrophobicContact CD1-CB 4.16Å; F353-F357 HydrophobicContact CE1-CB 3.79Å; F353-F357 HydrophobicContact CE1-CG 4.05Å; F353-F357 HydrophobicContact CZ-CB 4.24Å; F353-F357 HydrophobicContact CZ-CD2 4.46Å; F353-F357 HydrophobicContact CZ-CG 4.43Å; F353-F357 VanDerWaalsContact O-CB 3.24Å; F353-F357 WeakPolarHBondContact O-CB 3.21Å; F353-F357 PolarHBondContact O-N 3.04Å |
| 354 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.6 | -44.2 | 179.2 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | M136 N158 I162 S350 V351 A358 | M136-T354 HydrophobicContact CE-CG2 3.7Å; M136-T354 VanDerWaalsContact CE-OG1 3.28Å; M136-T354 WeakPolarHBondContact CE-OG1 3.42Å; M136-T354 HydrophobicContact SD-CG2 4.27Å; N158-T354 HydrophobicContact CB-CG2 4.3Å; I162-T354 HydrophobicContact CB-CG2 4.04Å; I162-T354 HydrophobicContact CG2-CG2 3.7Å; S350-T354 WeakPolarHBondContact O-CB 3.15Å; S350-T354 PolarHBondContact O-N 2.92Å; S350-T354 PolarHBondContact O-OG1 3.19Å; V351-T354 PolarHBondContact O-N 3Å; T354-A358 VanDerWaalsContact O-CB 3.22Å; T354-A358 WeakPolarHBondContact O-CB 3.39Å; T354-A358 PolarHBondContact O-N 2.67Å |
| 355 | L | 98.9 | Very high | 98.8 | Very high | 40 Ų | 40 | 44.2 Ų | 44.2 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.7 | -46.7 | 177.2 | -73.7 | 171.1 | 0 | 0 | 0 | 112.2 | I162 I166 I316 V351 L352 F353 G359 | I162-L355 HydrophobicContact CG2-CD2 3.65Å; I162-L355 HydrophobicContact CG2-CG 3.91Å; I166-L355 HydrophobicContact CB-CD2 3.93Å; I166-L355 HydrophobicContact CD1-CD2 4.13Å; I166-L355 HydrophobicContact CG1-CD2 3.96Å; I166-L355 HydrophobicContact CG2-CD2 4.49Å; I316-L355 HydrophobicContact CD1-CD1 4.08Å; I316-L355 HydrophobicContact CD1-CD2 4.09Å; I316-L355 HydrophobicContact CG1-CD1 4.34Å; I316-L355 HydrophobicContact CG1-CD2 4.48Å; V351-L355 HydrophobicContact CG1-CD1 4.09Å; V351-L355 WeakPolarHBondContact O-CG 3.21Å; V351-L355 PolarHBondContact O-N 3.41Å; L352-L355 PolarHBondContact O-N 3.17Å; F353-L355 VanDerWaalsContact C-N 3.32Å; F353-L355 PolarHBondContact O-N 3.43Å; L355-G359 WeakPolarHBondContact O-CA 3.42Å; L355-G359 PolarHBondContact O-N 3.06Å |
| 356 | V | 98.9 | Very high | 98.8 | Very high | 104 Ų | 104 | 40 Ų | 40 | 63% | 0.63 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -68.5 | -50.5 | -179.5 | 173 | 0 | 0 | 0 | 0 | 110.7 | L352 F353 A360 | L352-V356 WeakPolarHBondContact O-CG2 3.5Å; L352-V356 PolarHBondContact O-N 3.46Å; F353-V356 PolarHBondContact O-N 3.33Å; V356-A360 WeakPolarHBondContact O-CB 3.47Å; V356-A360 PolarHBondContact O-N 3.43Å |
| 357 | F | 98.8 | Very high | 98.8 | Very high | 52 Ų | 52 | 42 Ų | 42 | 23% | 0.228 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.7 | -57.7 | -177.5 | 175.2 | -102.6 | 0 | 0 | 0 | 111.6 | V131 V132 P135 M136 M139 F353 G359 A360 A361 | V131-F357 WeakPolarHBondContact O-CZ 3.48Å; V132-F357 HydrophobicContact CG1-CE1 4.19Å; P135-F357 HydrophobicContact CB-CE1 4.21Å; P135-F357 HydrophobicContact CB-CZ 3.87Å; P135-F357 HydrophobicContact CG-CZ 4.49Å; M136-F357 HydrophobicContact CG-CD1 3.95Å; M136-F357 HydrophobicContact CG-CE1 3.9Å; M136-F357 HydrophobicContact SD-CD1 3.47Å; M136-F357 WeakPolarHBondContact SD-CD1 3.2Å; M136-F357 HydrophobicContact SD-CE1 3.91Å; M136-F357 HydrophobicContact SD-CG 4.46Å; M139-F357 HydrophobicContact CE-CD1 4.08Å; M139-F357 HydrophobicContact CE-CE1 3.87Å; M139-F357 HydrophobicContact CE-CZ 4.17Å; F353-F357 HydrophobicContact CD1-CB 4.16Å; F353-F357 HydrophobicContact CE1-CB 3.79Å; F353-F357 HydrophobicContact CE1-CG 4.05Å; F353-F357 HydrophobicContact CZ-CB 4.24Å; F353-F357 HydrophobicContact CZ-CD2 4.46Å; F353-F357 HydrophobicContact CZ-CG 4.43Å; F353-F357 VanDerWaalsContact O-CB 3.24Å; F353-F357 WeakPolarHBondContact O-CB 3.21Å; F353-F357 PolarHBondContact O-N 3.04Å; F357-G359 VanDerWaalsContact C-N 3.34Å; F357-G359 PolarHBondContact O-N 3.21Å; F357-A360 PolarHBondContact O-N 3.36Å; F357-A361 WeakPolarHBondContact O-CB 3.39Å; F357-A361 PolarHBondContact O-N 3.41Å |
| 358 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.9 | -36.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V132 I166 T354 S362 | V132-A358 HydrophobicContact CG1-CB 3.7Å; I166-A358 HydrophobicContact CG2-CB 3.68Å; T354-A358 VanDerWaalsContact O-CB 3.22Å; T354-A358 WeakPolarHBondContact O-CB 3.39Å; T354-A358 PolarHBondContact O-N 2.67Å; A358-S362 WeakPolarHBondContact O-CB 3.29Å; A358-S362 PolarHBondContact O-N 2.9Å; A358-S362 PolarHBondContact O-OG 3.03Å |
| 359 | G | 98.9 | Very high | 98.8 | Very high | 8 Ų | 8 | 44.4 Ų | 44.4 | 8% | 0.082 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.7 | -50.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L355 F357 S362 Y363 | L355-G359 WeakPolarHBondContact O-CA 3.42Å; L355-G359 PolarHBondContact O-N 3.06Å; F357-G359 VanDerWaalsContact C-N 3.34Å; F357-G359 PolarHBondContact O-N 3.21Å; G359-S362 PolarHBondContact O-N 2.9Å; G359-Y363 PolarHBondContact O-N 2.59Å |
| 360 | A | 98.9 | Very high | 98.8 | Very high | 52 Ų | 52 | 47.3 Ų | 47.3 | 43% | 0.43 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.3 | -46.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V356 F357 S362 Y363 L364 | V356-A360 WeakPolarHBondContact O-CB 3.47Å; V356-A360 PolarHBondContact O-N 3.43Å; F357-A360 PolarHBondContact O-N 3.36Å; A360-S362 VanDerWaalsContact C-N 3.33Å; A360-S362 PolarHBondContact O-N 2.9Å; A360-Y363 WeakPolarHBondContact O-CB 3.34Å; A360-Y363 PolarHBondContact O-N 3.05Å; A360-L364 WeakPolarHBondContact O-CG 3.48Å; A360-L364 PolarHBondContact O-N 3.39Å |
| 361 | A | 98.9 | Very high | 98.8 | Very high | 11 Ų | 11 | 51 Ų | 51 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V131 V132 F357 Y363 L364 I365 | V131-A361 HydrophobicContact CG1-CB 4.3Å; V132-A361 HydrophobicContact CG2-CB 3.54Å; F357-A361 WeakPolarHBondContact O-CB 3.39Å; F357-A361 PolarHBondContact O-N 3.41Å; A361-Y363 VanDerWaalsContact C-N 3.33Å; A361-Y363 PolarHBondContact O-N 2.89Å; A361-L364 PolarHBondContact O-N 3.32Å; A361-I365 WeakPolarHBondContact O-CD1 3.44Å; A361-I365 WeakPolarHBondContact O-CG1 3.37Å; A361-I365 PolarHBondContact O-N 3.12Å |
| 362 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.2 | -42 | 175.3 | -64.8 | 0 | 0 | 0 | 0 | 112.5 | W128 S167 A358 G359 A360 L364 I365 I366 | W128-S362 PolarHBondContact NE1-OG 3.32Å; S167-S362 WeakPolarHBondContact CB-OG 3.37Å; S167-S362 PolarHBondContact OG-OG 3.16Å; A358-S362 WeakPolarHBondContact O-CB 3.29Å; A358-S362 PolarHBondContact O-N 2.9Å; A358-S362 PolarHBondContact O-OG 3.03Å; G359-S362 PolarHBondContact O-N 2.9Å; A360-S362 VanDerWaalsContact C-N 3.33Å; A360-S362 PolarHBondContact O-N 2.9Å; S362-L364 VanDerWaalsContact C-N 3.35Å; S362-L364 PolarHBondContact O-N 3.01Å; S362-I365 PolarHBondContact O-N 3.45Å; S362-I366 VanDerWaalsContact O-CG2 3.31Å; S362-I366 WeakPolarHBondContact O-CG2 3.39Å; S362-I366 PolarHBondContact O-N 3.41Å |
| 363 | Y | 98.9 | Very high | 98.7 | Very high | 133 Ų | 133 | 56.5 Ų | 56.5 | 52% | 0.522 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 176.8 | 177.8 | -100.4 | 0 | 0 | 0 | 111.8 | V170 V174 G359 A360 A361 I366 S367 | V170-Y363 HydrophobicContact CG1-CD2 4.43Å; V174-Y363 HydrophobicContact CG2-CD2 3.96Å; V174-Y363 HydrophobicContact CG2-CE2 4.15Å; G359-Y363 PolarHBondContact O-N 2.59Å; A360-Y363 WeakPolarHBondContact O-CB 3.34Å; A360-Y363 PolarHBondContact O-N 3.05Å; A361-Y363 VanDerWaalsContact C-N 3.33Å; A361-Y363 PolarHBondContact O-N 2.89Å; Y363-I366 WeakPolarHBondContact O-CG2 3.38Å; Y363-S367 WeakPolarHBondContact O-CB 3.4Å; Y363-S367 PolarHBondContact O-N 3.48Å; Y363-S367 PolarHBondContact O-OG 3.42Å |
| 364 | L | 98.8 | Very high | 98.7 | Very high | 118 Ų | 118 | 58 Ų | 58 | 62% | 0.618 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.7 | -46.9 | 177.1 | -68.2 | 173.9 | 0 | 0 | 0 | 111.7 | A360 A361 S362 S367 L368 | A360-L364 WeakPolarHBondContact O-CG 3.48Å; A360-L364 PolarHBondContact O-N 3.39Å; A361-L364 PolarHBondContact O-N 3.32Å; S362-L364 VanDerWaalsContact C-N 3.35Å; S362-L364 PolarHBondContact O-N 3.01Å; L364-S367 PolarHBondContact O-N 2.96Å; L364-L368 WeakPolarHBondContact O-CB 3.33Å; L364-L368 PolarHBondContact O-N 3.49Å |
| 365 | I | 98.9 | Very high | 98.6 | Very high | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.1 | -50.8 | 179.5 | -64.3 | 162.7 | 0 | 0 | 0 | 110.5 | F124 I127 W128 V131 V132 A361 S362 S367 L368 I369 | F124-I365 HydrophobicContact CD2-CB 4.18Å; F124-I365 HydrophobicContact CD2-CG2 3.56Å; F124-I365 HydrophobicContact CE2-CB 4Å; F124-I365 HydrophobicContact CE2-CG2 3.88Å; F124-I365 HydrophobicContact CG-CG2 4.38Å; I127-I365 HydrophobicContact CB-CG2 3.92Å; I127-I365 HydrophobicContact CD1-CG2 4.41Å; I127-I365 HydrophobicContact CG2-CB 4.46Å; I127-I365 HydrophobicContact CG2-CD1 4.04Å; I127-I365 HydrophobicContact CG2-CG1 3.83Å; I127-I365 HydrophobicContact CG2-CG2 3.79Å; W128-I365 HydrophobicContact CB-CD1 4.28Å; V131-I365 HydrophobicContact CB-CD1 4.05Å; V131-I365 HydrophobicContact CG1-CD1 4.16Å; V132-I365 HydrophobicContact CG2-CD1 4.11Å; A361-I365 WeakPolarHBondContact O-CD1 3.44Å; A361-I365 WeakPolarHBondContact O-CG1 3.37Å; A361-I365 PolarHBondContact O-N 3.12Å; S362-I365 PolarHBondContact O-N 3.45Å; I365-S367 VanDerWaalsContact C-N 3.31Å; I365-S367 PolarHBondContact O-N 3.38Å; I365-L368 WeakPolarHBondContact O-CB 3.08Å; I365-L368 PolarHBondContact O-N 2.94Å; I365-I369 HydrophobicContact CG2-CD1 3.92Å; I365-I369 WeakPolarHBondContact O-CG1 3.42Å; I365-I369 PolarHBondContact O-N 3.14Å |
| 366 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.3 | -32.9 | -178 | -166.5 | 60.8 | 0 | 0 | 0 | 112.1 | M116 F124 L171 V174 S362 Y363 I369 R370 I375 | M116-I366 HydrophobicContact CE-CD1 3.8Å; F124-I366 HydrophobicContact CD2-CB 4.11Å; F124-I366 HydrophobicContact CD2-CD1 4.23Å; F124-I366 HydrophobicContact CE2-CB 4.13Å; L171-I366 HydrophobicContact CD2-CB 3.7Å; L171-I366 HydrophobicContact CD2-CD1 3.71Å; L171-I366 HydrophobicContact CD2-CG1 3.55Å; L171-I366 HydrophobicContact CD2-CG2 4.23Å; V174-I366 HydrophobicContact CB-CG2 4.32Å; V174-I366 HydrophobicContact CG1-CG1 4.16Å; V174-I366 HydrophobicContact CG1-CG2 4.08Å; V174-I366 HydrophobicContact CG2-CG2 4.01Å; S362-I366 VanDerWaalsContact O-CG2 3.31Å; S362-I366 WeakPolarHBondContact O-CG2 3.39Å; S362-I366 PolarHBondContact O-N 3.41Å; Y363-I366 WeakPolarHBondContact O-CG2 3.38Å; I366-I369 PolarHBondContact O-N 2.77Å; I366-R370 WeakPolarHBondContact O-CB 3.46Å; I366-R370 PolarHBondContact O-N 3.24Å; I366-I375 HydrophobicContact CD1-CB 4.27Å; I366-I375 HydrophobicContact CD1-CD1 4.26Å; I366-I375 HydrophobicContact CD1-CG2 3.81Å; I366-I375 HydrophobicContact CG1-CD1 4.04Å |
| 367 | S | 98.7 | Very high | 98.6 | Very high | 42 Ų | 42 | 54.8 Ų | 54.8 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 175.3 | -62.8 | 0 | 0 | 0 | 0 | 111.6 | Y363 L364 I365 R370 A371 | Y363-S367 WeakPolarHBondContact O-CB 3.4Å; Y363-S367 PolarHBondContact O-N 3.48Å; Y363-S367 PolarHBondContact O-OG 3.42Å; L364-S367 PolarHBondContact O-N 2.96Å; I365-S367 VanDerWaalsContact C-N 3.31Å; I365-S367 PolarHBondContact O-N 3.38Å; S367-R370 PolarHBondContact O-N 2.63Å; S367-A371 PolarHBondContact O-N 2.91Å |
| 368 | L | 98.5 | Very high | 98.5 | Very high | 100 Ų | 100 | 54.8 Ų | 54.8 | 52% | 0.524 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63 | -50 | 173.9 | -175.9 | 67.9 | 0 | 0 | 0 | 110.9 | L364 I365 R370 A371 F372 | L364-L368 WeakPolarHBondContact O-CB 3.33Å; L364-L368 PolarHBondContact O-N 3.49Å; I365-L368 WeakPolarHBondContact O-CB 3.08Å; I365-L368 PolarHBondContact O-N 2.94Å; L368-R370 VanDerWaalsContact C-N 3.3Å; L368-R370 PolarHBondContact O-N 3.36Å; L368-A371 WeakPolarHBondContact O-CB 3.44Å; L368-A371 PolarHBondContact O-N 2.84Å; L368-F372 HydrophobicContact CD1-CE2 3.75Å; L368-F372 HydrophobicContact CG-CE2 4.22Å; L368-F372 WeakPolarHBondContact O-CD2 3.42Å |
| 369 | I | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 178.4 | -67 | 170.9 | 0 | 0 | 0 | 110.7 | A120 L123 F124 I127 I365 I366 A371 F372 M373 I375 | A120-I369 HydrophobicContact CB-CG2 4.34Å; L123-I369 HydrophobicContact CB-CD1 4.33Å; L123-I369 HydrophobicContact CD2-CD1 4.35Å; L123-I369 HydrophobicContact CD2-CG1 4.03Å; L123-I369 HydrophobicContact CD2-CG2 4.38Å; L123-I369 HydrophobicContact CG-CD1 4.03Å; L123-I369 HydrophobicContact CG-CG1 4.22Å; F124-I369 VanDerWaalsContact CA-CD1 3.44Å; F124-I369 HydrophobicContact CB-CD1 3.74Å; F124-I369 HydrophobicContact CD2-CD1 4.32Å; I127-I369 HydrophobicContact CD1-CD1 4.34Å; I127-I369 HydrophobicContact CD1-CG1 4.41Å; I365-I369 HydrophobicContact CG2-CD1 3.92Å; I365-I369 WeakPolarHBondContact O-CG1 3.42Å; I365-I369 PolarHBondContact O-N 3.14Å; I366-I369 PolarHBondContact O-N 2.77Å; I369-A371 PolarHBondContact O-N 2.89Å; I369-F372 PolarHBondContact O-N 3.48Å; I369-M373 HydrophobicContact CG2-CG 3.64Å; I369-M373 HydrophobicContact CG2-SD 3.75Å; I369-M373 WeakPolarHBondContact O-CG 3.27Å; I369-M373 PolarHBondContact O-N 2.95Å; I369-I375 HydrophobicContact CG2-CG2 3.9Å |
| 370 | R | 98.4 | Very high | 98 | Very high | 160 Ų | 160 | 68.8 Ų | 68.8 | 60% | 0.604 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58.9 | -27.1 | 177.5 | -176.7 | 179.6 | 176.9 | -178 | 0 | 113.2 | I366 S367 L368 F372 I375 | I366-R370 WeakPolarHBondContact O-CB 3.46Å; I366-R370 PolarHBondContact O-N 3.24Å; S367-R370 PolarHBondContact O-N 2.63Å; L368-R370 VanDerWaalsContact C-N 3.3Å; L368-R370 PolarHBondContact O-N 3.36Å; R370-F372 VanDerWaalsContact C-N 3.29Å; R370-I375 HydrophobicContact CB-CD1 4.19Å; R370-I375 HydrophobicContact CB-CG2 4.02Å; R370-I375 HydrophobicContact CG-CD1 4.16Å; R370-I375 HydrophobicContact CG-CG1 4.34Å |
| 371 | A | 98.1 | Very high | 97.9 | Very high | 79 Ų | 79 | 68.4 Ų | 68.4 | 65% | 0.653 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -71.6 | -23.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S367 L368 I369 | S367-A371 PolarHBondContact O-N 2.91Å; L368-A371 WeakPolarHBondContact O-CB 3.44Å; L368-A371 PolarHBondContact O-N 2.84Å; I369-A371 PolarHBondContact O-N 2.89Å |
| 372 | F | 98.2 | Very high | 97.7 | Very high | 171 Ų | 171 | 68.3 Ų | 68.3 | 75% | 0.75 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -110.9 | -20.5 | -175.9 | -63.1 | -76.3 | 0 | 0 | 0 | 114.3 | L368 I369 R370 | L368-F372 HydrophobicContact CD1-CE2 3.75Å; L368-F372 HydrophobicContact CG-CE2 4.22Å; L368-F372 WeakPolarHBondContact O-CD2 3.42Å; I369-F372 PolarHBondContact O-N 3.48Å; R370-F372 VanDerWaalsContact C-N 3.29Å |
| 373 | M | 98.3 | Very high | 97.4 | Very high | 48 Ų | 48 | 69.9 Ų | 69.9 | 24% | 0.236 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -152.4 | 155.9 | -177.8 | 66 | -175.5 | -62.9 | 0 | 0 | 112.9 | S119 A120 L123 I369 I375 | S119-M373 WeakPolarHBondContact OG-CE 3.4Å; A120-M373 HydrophobicContact CB-CE 4.02Å; A120-M373 HydrophobicContact CB-SD 4.4Å; L123-M373 HydrophobicContact CD2-SD 4.09Å; I369-M373 HydrophobicContact CG2-CG 3.64Å; I369-M373 HydrophobicContact CG2-SD 3.75Å; I369-M373 WeakPolarHBondContact O-CG 3.27Å; I369-M373 PolarHBondContact O-N 2.95Å; M373-I375 PolarHBondContact O-N 3.38Å |
| 374 | P | 98 | Very high | 97.2 | Very high | 87 Ų | 87 | 68.2 Ų | 68.2 | 57% | 0.565 | 35% | 0.354 | S | S | * | . | trans | -65.4 | 126.2 | 171.3 | 27.5 | -34.3 | 0 | 0 | 0 | 110.4 | R117 | R117-P374 WeakPolarHBondContact CG-O 3.44Š| ||
| 375 | I | 98.5 | Very high | 96.9 | Very high | 10 Ų | 10 | 62.6 Ų | 62.6 | 5% | 0.051 | 33% | 0.325 | C | S | . | . | trans | -90.7 | -17.6 | 177.1 | 59.6 | 168.1 | 0 | 0 | 0 | 113 | M116 R117 A120 V174 L175 I366 I369 R370 M373 | M116-I375 WeakPolarHBondContact CG-O 3.32Å; R117-I375 PolarHBondContact N-O 2.82Å; A120-I375 HydrophobicContact CB-CB 4.27Å; A120-I375 HydrophobicContact CB-CG2 4.12Å; V174-I375 HydrophobicContact CG1-CD1 3.74Å; L175-I375 HydrophobicContact CD2-CB 4.26Å; L175-I375 HydrophobicContact CD2-CD1 4Å; L175-I375 HydrophobicContact CD2-CG1 3.99Å; L175-I375 WeakPolarHBondContact CD2-O 3.47Å; I366-I375 HydrophobicContact CD1-CB 4.27Å; I366-I375 HydrophobicContact CD1-CD1 4.26Å; I366-I375 HydrophobicContact CD1-CG2 3.81Å; I366-I375 HydrophobicContact CG1-CD1 4.04Å; I369-I375 HydrophobicContact CG2-CG2 3.9Å; R370-I375 HydrophobicContact CB-CD1 4.19Å; R370-I375 HydrophobicContact CB-CG2 4.02Å; R370-I375 HydrophobicContact CG-CD1 4.16Å; R370-I375 HydrophobicContact CG-CG1 4.34Å; M373-I375 PolarHBondContact O-N 3.38Å | ||
| 376 | R | 98.2 | Very high | 96.8 | Very high | 60 Ų | 60 | 62.2 Ų | 62.2 | 23% | 0.226 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -123.4 | 143.8 | -175.7 | -164.1 | -164.9 | 170.6 | 96.8 | 2.1 | 110.5 | R115 L175 G176 R177 E382 | R115-R376 HydrophobicContact CB-CG 4.42Å; R115-R376 WeakPolarHBondContact O-CA 3.19Å; R115-R376 VanDerWaalsContact O-CG 3.27Å; R115-R376 WeakPolarHBondContact O-CG 3.36Å; L175-R376 HydrophobicContact CD2-CB 3.94Å; L175-R376 HydrophobicContact CD2-CG 4.27Å; L175-R376 PolarHBondContact O-NH1 3.14Å; G176-R376 PolarHBondContact O-NH1 3.08Å; R177-R376 PolarHBondContact O-NH1 3.4Å; R177-R376 PolarHBondContact O-NH2 3.1Å; R376-E382 IonicContact CZ-OE2 3.43Å; R376-E382 IonicContact NE-OE2 3.38Å; R376-E382 IonicContact NH2-OE1 3.61Å; R376-E382 IonicContact NH2-OE2 3.85Å; R376-E382 PolarHBondContact NH2-OE2 2.98Å |
| 377 | V | 97.8 | Very high | 96.7 | Very high | 6 Ų | 6 | 62.4 Ų | 62.4 | 4% | 0.036 | 32% | 0.324 | C | S | . | . | trans | -69 | 156.6 | 168.3 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | R115 R117 E381 E382 L386 | R115-V377 PolarHBondContact O-N 3.2Å; R117-V377 HydrophobicContact CG-CG1 4.37Å; V377-E381 HydrophobicContact CB-CB 3.87Å; V377-E381 HydrophobicContact CG2-CB 4.43Å; V377-E382 HydrophobicContact CG2-CB 3.86Å; V377-E382 HydrophobicContact CG2-CG 4.43Å; V377-L386 HydrophobicContact CG1-CG 4.28Å; V377-L386 HydrophobicContact CG2-CD1 4.11Å | ||
| 378 | S | 96.5 | Very high | 96.6 | Very high | 53 Ų | 53 | 65.3 Ų | 65.3 | 37% | 0.371 | 33% | 0.331 | S | S | . | . | trans | -67.3 | 162.2 | 171.4 | 68.4 | 0 | 0 | 0 | 0 | 111.7 | Q380 E381 E382 | S378-Q380 PolarHBondContact O-N 3.45Å; S378-E381 VanDerWaalsContact CB-OE2 3.27Å; S378-E381 WeakPolarHBondContact CB-OE2 3.22Å; S378-E381 PolarHBondContact N-OE2 2.8Å; S378-E381 PolarHBondContact O-N 3.19Å; S378-E381 WeakPolarHBondContact OG-CB 3.48Å; S378-E381 VanDerWaalsContact OG-CD 3.29Å; S378-E381 VanDerWaalsContact OG-CG 3.24Å; S378-E381 WeakPolarHBondContact OG-CG 3.43Å; S378-E381 PolarHBondContact OG-N 3.31Å; S378-E381 PolarHBondContact OG-OE2 3.26Å; S378-E382 WeakPolarHBondContact O-CB 3.31Å; S378-E382 PolarHBondContact O-N 3.09Å | ||
| 379 | Q | 94.5 | Very high | 96.5 | Very high | 146 Ų | 146 | 62.8 Ų | 62.8 | 68% | 0.682 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.3 | -30 | 177.8 | -67.2 | -174.9 | -4.1 | 0 | 0 | 113.3 | A383 | Q379-A383 PolarHBondContact O-N 3.44Å; Q379-A383 VanDerWaalsContact O-N 3.14Å |
| 380 | Q | 94.8 | Very high | 96.4 | Very high | 156 Ų | 156 | 64.7 Ų | 64.7 | 73% | 0.729 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -73.1 | -44.7 | 177.1 | -67.6 | -179.7 | -3.3 | 0 | 0 | 111 | S378 A383 L384 | S378-Q380 PolarHBondContact O-N 3.45Å; Q380-A383 WeakPolarHBondContact O-CB 3.49Å; Q380-A383 PolarHBondContact O-N 3.06Å; Q380-A383 VanDerWaalsContact O-N 3.14Å; Q380-L384 WeakPolarHBondContact O-CG 3.46Å; Q380-L384 PolarHBondContact O-N 2.97Å; Q380-L384 VanDerWaalsContact O-N 3.08Å |
| 381 | E | 96.3 | Very high | 96.3 | Very high | 44 Ų | 44 | 58.9 Ų | 58.9 | 21% | 0.206 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 174.9 | -75 | 168.3 | 134.9 | 0 | 0 | 111.7 | R117 V377 S378 A383 L384 G385 I389 | R117-E381 IonicContact CZ-OE1 3.31Å; R117-E381 VanDerWaalsContact CZ-OE1 3.31Å; R117-E381 IonicContact CZ-OE2 3.63Å; R117-E381 IonicContact NH1-OE1 3.09Å; R117-E381 PolarHBondContact NH1-OE1 2.78Å; R117-E381 VanDerWaalsContact NH1-OE1 3.09Å; R117-E381 IonicContact NH2-OE1 2.72Å; R117-E381 PolarHBondContact NH2-OE1 3.45Å; R117-E381 IonicContact NH2-OE2 2.89Å; R117-E381 PolarHBondContact NH2-OE2 2.89Å; V377-E381 HydrophobicContact CB-CB 3.87Å; V377-E381 HydrophobicContact CG2-CB 4.43Å; S378-E381 VanDerWaalsContact CB-OE2 3.27Å; S378-E381 WeakPolarHBondContact CB-OE2 3.22Å; S378-E381 PolarHBondContact N-OE2 2.8Å; S378-E381 PolarHBondContact O-N 3.19Å; S378-E381 WeakPolarHBondContact OG-CB 3.48Å; S378-E381 VanDerWaalsContact OG-CD 3.29Å; S378-E381 VanDerWaalsContact OG-CG 3.24Å; S378-E381 WeakPolarHBondContact OG-CG 3.43Å; S378-E381 PolarHBondContact OG-N 3.31Å; S378-E381 PolarHBondContact OG-OE2 3.26Å; E381-A383 PolarHBondContact O-N 3.41Å; E381-L384 PolarHBondContact O-N 3.11Å; E381-L384 VanDerWaalsContact O-N 3.15Å; E381-G385 PolarHBondContact O-N 3.45Å; E381-I389 HydrophobicContact CB-CB 4.46Å; E381-I389 HydrophobicContact CB-CD1 4.24Å; E381-I389 HydrophobicContact CB-CG1 3.86Å; E381-I389 HydrophobicContact CB-CG2 3.92Å; E381-I389 HydrophobicContact CG-CD1 3.93Å; E381-I389 HydrophobicContact CG-CG1 4.04Å; E381-I389 HydrophobicContact CG-CG2 3.79Å |
| 382 | E | 95.1 | Very high | 96.1 | Very high | 9 Ų | 9 | 60.5 Ų | 60.5 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.3 | -34.1 | 174 | -165.4 | 180 | 145.2 | 0 | 0 | 112.1 | K33 R178 R179 R376 V377 S378 | K33-E382 VanDerWaalsContact CE-O 3.3Å; K33-E382 WeakPolarHBondContact CE-O 3.34Å; K33-E382 PolarHBondContact NZ-O 3.4Å; R178-E382 WeakPolarHBondContact CA-OE1 3.49Å; R178-E382 WeakPolarHBondContact CB-OE1 3.28Å; R179-E382 PolarHBondContact N-OE1 3.23Å; R376-E382 IonicContact CZ-OE2 3.43Å; R376-E382 IonicContact NE-OE2 3.38Å; R376-E382 IonicContact NH2-OE1 3.61Å; R376-E382 IonicContact NH2-OE2 3.85Å; R376-E382 PolarHBondContact NH2-OE2 2.98Å; V377-E382 HydrophobicContact CG2-CB 3.86Å; V377-E382 HydrophobicContact CG2-CG 4.43Å; S378-E382 WeakPolarHBondContact O-CB 3.31Å; S378-E382 PolarHBondContact O-N 3.09Å |
| 383 | A | 92.5 | Very high | 95.8 | Very high | 32 Ų | 32 | 56.6 Ų | 56.6 | 26% | 0.264 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.8 | -46.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K33 R179 Q379 Q380 E381 | K33-A383 PolarHBondContact NZ-O 3.43Å; R179-A383 VanDerWaalsContact CZ-CB 3.47Å; Q379-A383 PolarHBondContact O-N 3.44Å; Q379-A383 VanDerWaalsContact O-N 3.14Å; Q380-A383 WeakPolarHBondContact O-CB 3.49Å; Q380-A383 PolarHBondContact O-N 3.06Å; Q380-A383 VanDerWaalsContact O-N 3.14Å; E381-A383 PolarHBondContact O-N 3.41Å |
| 384 | L | 92.9 | Very high | 95 | Very high | 99 Ų | 99 | 58.9 Ų | 58.9 | 52% | 0.518 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67 | -35.9 | -179.2 | -68.7 | 171 | 0 | 0 | 0 | 112.3 | Q380 E381 I389 | Q380-L384 WeakPolarHBondContact O-CG 3.46Å; Q380-L384 PolarHBondContact O-N 2.97Å; Q380-L384 VanDerWaalsContact O-N 3.08Å; E381-L384 PolarHBondContact O-N 3.11Å; E381-L384 VanDerWaalsContact O-N 3.15Å; L384-I389 HydrophobicContact CB-CD1 4.11Å; L384-I389 HydrophobicContact CB-CG1 4.21Å; L384-I389 HydrophobicContact CD1-CD1 3.87Å |
| 385 | G | 94.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | 102.8 | 142.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | K33 N34 E381 D387 K388 I389 | K33-G385 CarbonylContact O-C 3.37Å; K33-G385 WeakPolarHBondContact O-CA 3.44Å; N34-G385 WeakPolarHBondContact OD1-CA 3.38Å; E381-G385 PolarHBondContact O-N 3.45Å; G385-D387 VanDerWaalsContact C-N 3.29Å; G385-D387 PolarHBondContact O-N 3.13Å; G385-K388 PolarHBondContact O-N 3.19Å; G385-I389 WeakPolarHBondContact O-CG1 3.25Å; G385-I389 PolarHBondContact O-N 2.88Å | ||
| 386 | L | 96.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.8 | -20.3 | -169.2 | -81.2 | 66.6 | 0 | 0 | 0 | 113.1 | K33 N34 N37 G114 M116 V377 K388 I389 E390 | K33-L386 PolarHBondContact O-N 3.43Å; N34-L386 PolarHBondContact OD1-N 3.41Å; N37-L386 HydrophobicContact CB-CB 3.72Å; N37-L386 WeakPolarHBondContact ND2-CD2 3.36Å; G114-L386 WeakPolarHBondContact O-CD1 3.41Å; M116-L386 VanDerWaalsContact O-CD2 3.3Å; M116-L386 WeakPolarHBondContact O-CD2 3.4Å; V377-L386 HydrophobicContact CG1-CG 4.28Å; V377-L386 HydrophobicContact CG2-CD1 4.11Å; L386-K388 VanDerWaalsContact C-N 3.29Å; L386-K388 PolarHBondContact O-N 3Å; L386-I389 PolarHBondContact O-N 3.3Å; L386-E390 HydrophobicContact CB-CG 4.32Å; L386-E390 HydrophobicContact CG-CG 4.36Å; L386-E390 WeakPolarHBondContact O-CB 3.31Å; L386-E390 PolarHBondContact O-N 3.29Å |
| 387 | D | 96.7 | Very high | 89.7 | Confident | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.7 | -46 | 175.5 | -64.6 | -4 | 0 | 0 | 0 | 110.4 | K33 N34 I35 L36 N37 G385 H391 D392 E393 | K33-D387 WeakPolarHBondContact O-CB 3.48Å; K33-D387 PolarHBondContact O-N 2.76Å; K33-D387 VanDerWaalsContact O-N 3.17Å; N34-D387 WeakPolarHBondContact CA-OD1 3.43Å; N34-D387 PolarHBondContact N-OD2 2.84Å; I35-D387 WeakPolarHBondContact CG2-OD2 3.5Å; I35-D387 PolarHBondContact N-OD1 3.36Å; I35-D387 VanDerWaalsContact N-OD1 3.17Å; I35-D387 PolarHBondContact N-OD2 2.96Å; I35-D387 VanDerWaalsContact N-OD2 3.11Å; L36-D387 HydrophobicContact CB-CB 4.2Å; L36-D387 HydrophobicContact CD1-CB 4.37Å; L36-D387 VanDerWaalsContact N-CG 3.33Å; L36-D387 PolarHBondContact N-OD1 2.87Å; L36-D387 PolarHBondContact N-OD2 3.45Å; N37-D387 PolarHBondContact N-OD1 3.32Å; G385-D387 VanDerWaalsContact C-N 3.29Å; G385-D387 PolarHBondContact O-N 3.13Å; D387-H391 CarbonylContact O-C 3.51Å; D387-H391 WeakPolarHBondContact O-CB 3.47Å; D387-H391 PolarHBondContact O-N 3.36Å; D387-D392 PolarHBondContact O-N 3.48Å; D387-E393 CarbonylContact C-O 3.37Å; D387-E393 VanDerWaalsContact C-O 3.29Å; D387-E393 PolarHBondContact O-N 2.96Å; D387-E393 VanDerWaalsContact O-N 3.13Å |
| 388 | K | 95.7 | Very high | 87.4 | Confident | 103 Ų | 103 | 66.8 Ų | 66.8 | 45% | 0.448 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -73.9 | -44 | 176.8 | -176.5 | 177.7 | 179.9 | -179.6 | 0 | 111.7 | G385 L386 D392 E393 | G385-K388 PolarHBondContact O-N 3.19Å; L386-K388 VanDerWaalsContact C-N 3.29Å; L386-K388 PolarHBondContact O-N 3Å; K388-D392 WeakPolarHBondContact O-CA 3.35Å; K388-D392 PolarHBondContact O-N 3.37Å; K388-D392 VanDerWaalsContact O-N 3.16Å; K388-E393 WeakPolarHBondContact CA-O 3.37Å; K388-E393 PolarHBondContact N-O 3.06Å |
| 389 | I | 96.2 | Very high | 85.2 | Confident | 47 Ų | 47 | 69.4 Ų | 69.4 | 24% | 0.241 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -72.9 | -41 | -171.3 | -64.3 | -54.3 | 0 | 0 | 0 | 112.8 | E381 L384 G385 L386 | E381-I389 HydrophobicContact CB-CB 4.46Å; E381-I389 HydrophobicContact CB-CD1 4.24Å; E381-I389 HydrophobicContact CB-CG1 3.86Å; E381-I389 HydrophobicContact CB-CG2 3.92Å; E381-I389 HydrophobicContact CG-CD1 3.93Å; E381-I389 HydrophobicContact CG-CG1 4.04Å; E381-I389 HydrophobicContact CG-CG2 3.79Å; L384-I389 HydrophobicContact CB-CD1 4.11Å; L384-I389 HydrophobicContact CB-CG1 4.21Å; L384-I389 HydrophobicContact CD1-CD1 3.87Å; G385-I389 WeakPolarHBondContact O-CG1 3.25Å; G385-I389 PolarHBondContact O-N 2.88Å; L386-I389 PolarHBondContact O-N 3.3Å |
| 390 | E | 96.9 | Very high | 83.1 | Confident | 44 Ų | 44 | 66.1 Ų | 66.1 | 21% | 0.206 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -95.4 | -25.7 | -175.1 | -62 | -68.2 | 125.6 | 0 | 0 | 112.5 | R117 F118 L386 | R117-E390 WeakPolarHBondContact CD-OE1 3.38Å; R117-E390 IonicContact CZ-OE1 3.64Å; R117-E390 IonicContact NE-OE1 3.74Å; R117-E390 IonicContact NH1-OE1 2.78Å; R117-E390 PolarHBondContact NH1-OE1 3.34Å; F118-E390 HydrophobicContact CB-CB 4.21Å; F118-E390 HydrophobicContact CB-CG 4.32Å; F118-E390 WeakPolarHBondContact CB-OE2 3.46Å; F118-E390 PolarHBondContact N-OE2 3.03Å; L386-E390 HydrophobicContact CB-CG 4.32Å; L386-E390 HydrophobicContact CG-CG 4.36Å; L386-E390 WeakPolarHBondContact O-CB 3.31Å; L386-E390 PolarHBondContact O-N 3.29Å |
| 391 | H | 96.5 | Very high | 80.9 | Confident | 39 Ų | 39 | 60.3 Ų | 60.3 | 18% | 0.181 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -125 | -5.4 | -171.2 | -52.2 | -69.6 | 0 | 0 | 0 | 115.1 | N37 F118 D387 E393 | N37-H391 PolarHBondContact OD1-NE2 3.38Å; F118-H391 AromaticContact CD2-CE1 3.97Å; F118-H391 AromaticContact CG-CE1 3.81Å; D387-H391 CarbonylContact O-C 3.51Å; D387-H391 WeakPolarHBondContact O-CB 3.47Å; D387-H391 PolarHBondContact O-N 3.36Å; H391-E393 HydrophobicContact CB-CB 4.34Å; H391-E393 HydrophobicContact CB-CG 4.2Å; H391-E393 PolarHBondContact O-N 3.5Å |
| 392 | D | 94 | Very high | 78.6 | Confident | 113 Ų | 113 | 61.5 Ų | 61.5 | 60% | 0.604 | 35% | 0.346 | S | S | * | . | S | Bend | trans | 57.1 | 29.5 | -173.4 | -164.5 | 33.2 | 0 | 0 | 0 | 112.8 | D387 K388 K408 | D387-D392 PolarHBondContact O-N 3.48Å; K388-D392 WeakPolarHBondContact O-CA 3.35Å; K388-D392 PolarHBondContact O-N 3.37Å; K388-D392 VanDerWaalsContact O-N 3.16Å; D392-K408 IonicContact OD2-NZ 3.76Å |
| 393 | E | 91.9 | Very high | 76.3 | Confident | 89 Ų | 89 | 67.3 Ų | 67.3 | 42% | 0.416 | 38% | 0.377 | S | S | . | . | trans | -113 | 154.2 | -176.5 | -70.4 | -173.9 | -132.6 | 0 | 0 | 112.6 | L36 D387 K388 H391 | L36-E393 HydrophobicContact CD1-CB 3.63Å; D387-E393 CarbonylContact C-O 3.37Å; D387-E393 VanDerWaalsContact C-O 3.29Å; D387-E393 PolarHBondContact O-N 2.96Å; D387-E393 VanDerWaalsContact O-N 3.13Å; K388-E393 WeakPolarHBondContact CA-O 3.37Å; K388-E393 PolarHBondContact N-O 3.06Å; H391-E393 HydrophobicContact CB-CB 4.34Å; H391-E393 HydrophobicContact CB-CG 4.2Å; H391-E393 PolarHBondContact O-N 3.5Å | ||
| 394 | N | 80.9 | Confident | 74.4 | Confident | 95 Ų | 95 | 68.5 Ų | 68.5 | 51% | 0.508 | 38% | 0.383 | S | S | . | . | trans | -137.7 | 135.9 | 171.6 | -65.4 | -74 | 0 | 0 | 0 | 109.6 | I396 | N394-I396 PolarHBondContact O-N 2.69Š| ||
| 395 | Q | 67.5 | Low | 72.3 | Confident | 77 Ų | 77 | 68.4 Ų | 68.4 | 36% | 0.36 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -64.3 | -38.6 | -177.1 | -161.7 | -154.8 | 12.6 | 0 | 0 | 113.8 | R32 I35 H189 | R32-Q395 VanDerWaalsContact CG-OE1 3.28Å; I35-Q395 HydrophobicContact CG2-CG 4.36Å; H189-Q395 PolarHBondContact NE2-NE2 2.84Å; H189-Q395 PolarHBondContact NE2-OE1 3.12Å; H189-Q395 VanDerWaalsContact NE2-OE1 3.12Å |
| 396 | I | 62.8 | Low | 70.2 | Confident | 101 Ų | 101 | 75.2 Ų | 75.2 | 52% | 0.518 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -92.8 | 118.1 | 169 | -80.6 | 176.5 | 0 | 0 | 0 | 106.9 | N394 T398 | N394-I396 PolarHBondContact O-N 2.69Å; I396-T398 PolarHBondContact O-N 2.76Å |
| 397 | S | 52.7 | Low | 68 | Low | 66 Ų | 66 | 78 Ų | 78 | 46% | 0.462 | 44% | 0.438 | S | S | . | . | trans | -64.5 | 105.1 | 159 | 61 | 0 | 0 | 0 | 0 | 108.5 | S401 | S397-S401 WeakPolarHBondContact CA-OG 3.48Å; S397-S401 WeakPolarHBondContact CB-OG 3.44Å | ||
| 398 | T | 50.1 | Low | 65.8 | Low | 85 Ų | 85 | 85 Ų | 85 | 52% | 0.521 | 47% | 0.469 | S | S | . | . | trans | -58 | 144.3 | 150.6 | 51.9 | 0 | 0 | 0 | 0 | 105.9 | I396 S400 S401 | I396-T398 PolarHBondContact O-N 2.76Å; T398-S400 PolarHBondContact O-N 3.1Å; T398-S400 PolarHBondContact OG1-OG 3.47Å; T398-S401 PolarHBondContact O-N 2.82Å; T398-S401 PolarHBondContact O-OG 2.93Å | ||
| 399 | S | 50.2 | Low | 63.5 | Low | 108 Ų | 108 | 85.2 Ų | 85.2 | 76% | 0.755 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -48.4 | -19.3 | -177.3 | 47.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 400 | S | 50.9 | Low | 61 | Low | 77 Ų | 77 | 90.8 Ų | 90.8 | 54% | 0.538 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -73.1 | -28.6 | 171.9 | 52.3 | 0 | 0 | 0 | 0 | 116.4 | T398 S404 | T398-S400 PolarHBondContact O-N 3.1Å; T398-S400 PolarHBondContact OG1-OG 3.47Å; S400-S404 PolarHBondContact O-N 2.87Å |
| 401 | S | 48.7 | Very low | 58.4 | Low | 35 Ų | 35 | 97.9 Ų | 97.9 | 25% | 0.245 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -81.2 | -32.5 | -174 | 74.1 | 0 | 0 | 0 | 0 | 113.4 | S397 T398 L403 S404 C405 | S397-S401 WeakPolarHBondContact CA-OG 3.48Å; S397-S401 WeakPolarHBondContact CB-OG 3.44Å; T398-S401 PolarHBondContact O-N 2.82Å; T398-S401 PolarHBondContact O-OG 2.93Å; S401-L403 VanDerWaalsContact C-N 3.3Å; S401-L403 PolarHBondContact O-N 2.91Å; S401-S404 PolarHBondContact O-N 2.67Å; S401-S404 VanDerWaalsContact O-N 3.14Å; S401-S404 PolarHBondContact O-OG 3.32Å; S401-C405 PolarHBondContact O-N 2.92Å |
| 402 | V | 46.9 | Very low | 55.8 | Low | 69 Ų | 69 | 105.5 Ų | 105.5 | 42% | 0.418 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.3 | -45.2 | 174.2 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | S404 C405 F406 | V402-S404 VanDerWaalsContact C-N 3.32Å; V402-S404 PolarHBondContact O-N 3.02Å; V402-C405 PolarHBondContact O-N 3.03Å; V402-F406 HydrophobicContact CG1-CD2 4.08Å; V402-F406 HydrophobicContact CG1-CE2 3.76Å; V402-F406 WeakPolarHBondContact O-CD2 3.29Å; V402-F406 PolarHBondContact O-N 3.47Å |
| 403 | L | 48.1 | Very low | 53.3 | Low | 131 Ų | 131 | 109 Ų | 109 | 69% | 0.686 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.3 | -36 | 176.8 | -73 | 164.6 | 0 | 0 | 0 | 112.5 | S401 C405 F406 S407 | S401-L403 VanDerWaalsContact C-N 3.3Å; S401-L403 PolarHBondContact O-N 2.91Å; L403-C405 PolarHBondContact O-N 2.79Å; L403-F406 PolarHBondContact O-N 3.02Å; L403-S407 VanDerWaalsContact O-CB 3.32Å; L403-S407 WeakPolarHBondContact O-CB 3.36Å; L403-S407 PolarHBondContact O-N 3.25Å |
| 404 | S | 51.6 | Low | 50.7 | Low | 56 Ų | 56 | 111.3 Ų | 111.3 | 39% | 0.392 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.6 | -36.6 | -179.8 | 80.4 | 0 | 0 | 0 | 0 | 113 | S400 S401 V402 S407 K408 | S400-S404 PolarHBondContact O-N 2.87Å; S401-S404 PolarHBondContact O-N 2.67Å; S401-S404 VanDerWaalsContact O-N 3.14Å; S401-S404 PolarHBondContact O-OG 3.32Å; V402-S404 VanDerWaalsContact C-N 3.32Å; V402-S404 PolarHBondContact O-N 3.02Å; S404-S407 WeakPolarHBondContact CA-OG 3.4Å; S404-S407 PolarHBondContact O-N 3.35Å; S404-S407 PolarHBondContact O-OG 3.03Å; S404-K408 PolarHBondContact O-N 2.94Å |
| 405 | C | 49.4 | Very low | 49 | Very low | 97 Ų | 97 | 113.2 Ų | 113.2 | 66% | 0.655 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.9 | -36.2 | -179 | -140.5 | 0 | 0 | 0 | 0 | 111.4 | S401 V402 L403 | S401-C405 PolarHBondContact O-N 2.92Å; V402-C405 PolarHBondContact O-N 3.03Å; L403-C405 PolarHBondContact O-N 2.79Å |
| 406 | F | 49.1 | Very low | 47.7 | Very low | 144 Ų | 144 | 115.5 Ų | 115.5 | 63% | 0.632 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -79.5 | -25.7 | 172.6 | -66.8 | -69.8 | 0 | 0 | 0 | 113.5 | V402 L403 K408 T409 | V402-F406 HydrophobicContact CG1-CD2 4.08Å; V402-F406 HydrophobicContact CG1-CE2 3.76Å; V402-F406 WeakPolarHBondContact O-CD2 3.29Å; V402-F406 PolarHBondContact O-N 3.47Å; L403-F406 PolarHBondContact O-N 3.02Å; F406-K408 VanDerWaalsContact C-N 3.35Å; F406-K408 PolarHBondContact O-N 3.36Å; F406-T409 PolarHBondContact O-N 3.49Å; F406-T409 PolarHBondContact O-OG1 3.21Å |
| 407 | S | 51.9 | Low | 46.8 | Very low | 57 Ų | 57 | 119.6 Ų | 119.6 | 40% | 0.399 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -71.8 | -26.1 | -180 | 75.9 | 0 | 0 | 0 | 0 | 114.1 | L403 S404 T409 | L403-S407 VanDerWaalsContact O-CB 3.32Å; L403-S407 WeakPolarHBondContact O-CB 3.36Å; L403-S407 PolarHBondContact O-N 3.25Å; S404-S407 WeakPolarHBondContact CA-OG 3.4Å; S404-S407 PolarHBondContact O-N 3.35Å; S404-S407 PolarHBondContact O-OG 3.03Å; S407-T409 VanDerWaalsContact C-N 3.26Å; S407-T409 PolarHBondContact O-N 2.89Å |
| 408 | K | 49.8 | Very low | 46.5 | Very low | 152 Ų | 152 | 122.3 Ų | 122.3 | 66% | 0.661 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -70.6 | -21 | 178.7 | -74.4 | -177.7 | -177.9 | 172.9 | 0 | 112.1 | D392 S404 F406 | D392-K408 IonicContact OD2-NZ 3.76Å; S404-K408 PolarHBondContact O-N 2.94Å; F406-K408 VanDerWaalsContact C-N 3.35Å; F406-K408 PolarHBondContact O-N 3.36Å |
| 409 | T | 46.8 | Very low | 46.3 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 66% | 0.663 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -90.1 | -23.3 | 178.7 | 45.7 | 0 | 0 | 0 | 0 | 114.1 | F406 S407 | F406-T409 PolarHBondContact O-N 3.49Å; F406-T409 PolarHBondContact O-OG1 3.21Å; S407-T409 VanDerWaalsContact C-N 3.26Å; S407-T409 PolarHBondContact O-N 2.89Å |
| 410 | E | 43.5 | Very low | 46.1 | Very low | 163 Ų | 163 | 125.2 Ų | 125.2 | 76% | 0.762 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -80.1 | -22.1 | -179.4 | -80.5 | -172.8 | 156.9 | 0 | 0 | 114.6 | K412 | E410-K412 PolarHBondContact O-N 2.61Å |
| 411 | K | 42.7 | Very low | 45.8 | Very low | 193 Ų | 193 | 128 Ų | 128 | 84% | 0.839 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 10 | -175.8 | -75.3 | -166.9 | 177.2 | -176.7 | 0 | 116.2 | ||
| 412 | K | 42 | Very low | 45.7 | Very low | 200 Ų | 200 | 133.8 Ų | 133.8 | 87% | 0.87 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 12.2 | 179.1 | -82.3 | -168.1 | 177.2 | -177.5 | 0 | 116.1 | E410 | E410-K412 PolarHBondContact O-N 2.61Š|
| 413 | K | 40.7 | Very low | 45.6 | Very low | 185 Ų | 185 | 138.1 Ų | 138.1 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -122.5 | 91.1 | 172.3 | -70 | -174.1 | 179.5 | -179.9 | 0 | 111.3 | ||
| 414 | N | 39 | Very low | 45.4 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | trans | 156 | 112.3 | 137.7 | -81.6 | -12.6 | 0 | 0 | 0 | 111.4 | ||||
| 415 | P | 44.2 | Very low | 44.9 | Very low | 134 Ų | 134 | 145 Ų | 145 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | trans | -107.2 | 102.9 | 134.9 | 28.5 | -15.7 | 0 | 0 | 0 | 107.5 | ||||
| 416 | V | 40.8 | Very low | 44.6 | Very low | 126 Ų | 126 | 149 Ų | 149 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | trans | -105.7 | 108.8 | 164.8 | 177.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 417 | S | 44.2 | Very low | 44.1 | Very low | 187 Ų | 187 | 149.5 Ų | 149.5 | 100% | 1.308 | 79% | 0.789 | S | S | * | * | trans | -162.7 | 0 | 143.4 | 65.5 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 417 of 417 residues in 390.5 ms
(Link to these results)