| 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 | 64.4 | Low | 81.3 | Confident | 60 Ų | 60 | 59.3 Ų | 59.3 | 30% | 0.296 | 32% | 0.321 | S | S | . | . | 0 | 107.2 | 0 | -162.3 | 172.5 | -68.6 | 0 | 0 | 112.4 | V4 M10 C13 R78 R189 | M1-V4 HydrophobicContact CG-CG2 3.91Å; M1-V4 HydrophobicContact SD-CG2 3.39Å; M1-V4 WeakPolarHBondContact SD-CG2 3.37Å; M1-M10 HydrophobicContact CE-CE 3.41Å; M1-M10 VanDerWaalsContact CE-CE 3.41Å; M1-M10 HydrophobicContact CG-CE 3.99Å; M1-M10 HydrophobicContact SD-CB 4.21Å; M1-M10 HydrophobicContact SD-CE 3.81Å; M1-C13 HydrophobicContact CE-CB 3.4Å; M1-C13 VanDerWaalsContact CE-CB 3.4Å; M1-C13 HydrophobicContact SD-CB 4.3Å; M1-R78 VanDerWaalsContact C-NH2 3.33Å; M1-R78 PolarHBondContact O-NH2 3.29Å; M1-R189 PolarHBondContact O-N 3.49Å | |||
| 2 | S | 76.4 | Confident | 82.2 | Confident | 83 Ų | 83 | 61.3 Ų | 61.3 | 58% | 0.58 | 32% | 0.32 | S | S | * | . | trans | -71.4 | -61.3 | -174.9 | 47.5 | 0 | 0 | 0 | 0 | 112.5 | R189 H190 | S2-R189 CarbonylContact O-C 3.59Å; S2-R189 WeakPolarHBondContact O-CA 3.47Å; S2-R189 VanDerWaalsContact O-CB 3.27Å; S2-R189 WeakPolarHBondContact O-CB 3.35Å; S2-R189 PolarHBondContact O-N 3.49Å; S2-R189 VanDerWaalsContact O-N 3.1Å; S2-H190 PolarHBondContact O-N 3.48Å | ||
| 3 | T | 81 | Confident | 83 | Confident | 50 Ų | 50 | 59.6 Ų | 59.6 | 31% | 0.307 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 131.9 | -169.8 | -51.1 | 0 | 0 | 0 | 0 | 110.5 | H190 I192 | T3-H190 WeakPolarHBondContact CA-O 3.47Å; T3-H190 HydrophobicContact CG2-CB 4.44Å; T3-I192 HydrophobicContact CG2-CD1 3.37Å; T3-I192 HydrophobicContact CG2-CG1 3.73Å |
| 4 | V | 81.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 131.9 | 174.3 | 169.8 | 0 | 0 | 0 | 0 | 108.7 | M1 M10 A11 P188 H190 I191 I192 | M1-V4 HydrophobicContact CG-CG2 3.91Å; M1-V4 HydrophobicContact SD-CG2 3.39Å; M1-V4 WeakPolarHBondContact SD-CG2 3.37Å; V4-M10 HydrophobicContact CG2-CB 4.08Å; V4-A11 HydrophobicContact CG1-CB 3.69Å; V4-P188 HydrophobicContact CB-CB 3.82Å; V4-P188 HydrophobicContact CB-CG 4.47Å; V4-P188 HydrophobicContact CG2-CB 3.65Å; V4-P188 HydrophobicContact CG2-CG 4.48Å; V4-H190 PolarHBondContact N-O 2.82Å; V4-I191 WeakPolarHBondContact O-CA 3.43Å; V4-I192 PolarHBondContact O-N 2.88Å |
| 5 | Y | 81 | Confident | 84.2 | Confident | 99 Ų | 99 | 52.1 Ų | 52.1 | 39% | 0.388 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 139.2 | 171.6 | -65.5 | -85.5 | 0 | 0 | 0 | 109.4 | R8 I192 | Y5-R8 PolarHBondContact O-N 3.5Å; Y5-I192 WeakPolarHBondContact CA-O 3.38Å; Y5-I192 HydrophobicContact CD1-CB 4.04Å; Y5-I192 HydrophobicContact CD1-CG2 4.1Å; Y5-I192 HydrophobicContact CE1-CB 4.13Å; Y5-I192 HydrophobicContact CE1-CD1 4.29Å; Y5-I192 HydrophobicContact CE1-CG2 4.01Å |
| 6 | V | 84.3 | Confident | 84.8 | Confident | 12 Ų | 12 | 54.1 Ų | 54.1 | 7% | 0.073 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 138.4 | 178.1 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | R8 C130 K132 I191 I192 D193 | V6-R8 PolarHBondContact O-N 2.93Å; V6-R8 VanDerWaalsContact O-N 3.08Å; V6-C130 WeakPolarHBondContact CA-O 3.02Å; V6-K132 HydrophobicContact CG1-CB 4.37Å; V6-K132 HydrophobicContact CG1-CD 4.19Å; V6-K132 HydrophobicContact CG1-CG 3.95Å; V6-I191 HydrophobicContact CG2-CG2 4.03Å; V6-I192 PolarHBondContact N-O 3.11Å; V6-I192 VanDerWaalsContact N-O 3.13Å; V6-D193 HydrophobicContact CG2-CB 3.91Å |
| 7 | D | 80.1 | Confident | 85.3 | Confident | 44 Ų | 44 | 50.9 Ų | 50.9 | 24% | 0.235 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 14 | 178.6 | -66.4 | -42.4 | 0 | 0 | 0 | 116.1 | C130 F131 K132 R133 Y134 | D7-C130 PolarHBondContact N-O 3.49Å; D7-F131 VanDerWaalsContact OD1-CA 3.26Å; D7-F131 WeakPolarHBondContact OD1-CA 3.38Å; D7-F131 WeakPolarHBondContact OD1-CD1 3.45Å; D7-K132 PolarHBondContact OD1-N 3.14Å; D7-K132 PolarHBondContact OD2-N 2.95Å; D7-R133 PolarHBondContact OD1-N 2.87Å; D7-R133 WeakPolarHBondContact OD2-CB 3.36Å; D7-R133 PolarHBondContact OD2-N 3.22Å; D7-Y134 HydrophobicContact CB-CD2 4.46Å |
| 8 | R | 85.8 | Confident | 85.8 | Confident | 143 Ų | 143 | 48.2 Ų | 48.2 | 54% | 0.54 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -95.9 | 165.9 | 177.5 | -62.6 | -152.8 | -175.2 | -168.7 | -4.2 | 113.7 | Y5 V6 M10 A11 | Y5-R8 PolarHBondContact O-N 3.5Å; V6-R8 PolarHBondContact O-N 2.93Å; V6-R8 VanDerWaalsContact O-N 3.08Å; R8-M10 VanDerWaalsContact C-N 3.27Å; R8-M10 PolarHBondContact O-N 3.49Å; R8-M10 VanDerWaalsContact O-N 3.1Å; R8-A11 WeakPolarHBondContact O-CB 3.32Å; R8-A11 PolarHBondContact O-N 3.44Å |
| 9 | G | 84.1 | Confident | 86.2 | Confident | 59 Ų | 59 | 49 Ų | 49 | 61% | 0.608 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -46.7 | -42.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | A11 W12 | G9-A11 VanDerWaalsContact C-N 3.27Å; G9-A11 PolarHBondContact O-N 2.92Å; G9-W12 WeakPolarHBondContact O-CB 3.34Å; G9-W12 PolarHBondContact O-N 2.9Å; G9-W12 VanDerWaalsContact O-N 3.13Å |
| 10 | M | 87.1 | Confident | 86.7 | Confident | 102 Ų | 102 | 48.6 Ų | 48.6 | 50% | 0.502 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.1 | -23.7 | -179.9 | -63.9 | -62.5 | -76.8 | 0 | 0 | 113.8 | M1 V4 R8 W12 C13 | M1-M10 HydrophobicContact CE-CE 3.41Å; M1-M10 VanDerWaalsContact CE-CE 3.41Å; M1-M10 HydrophobicContact CG-CE 3.99Å; M1-M10 HydrophobicContact SD-CB 4.21Å; M1-M10 HydrophobicContact SD-CE 3.81Å; V4-M10 HydrophobicContact CG2-CB 4.08Å; R8-M10 VanDerWaalsContact C-N 3.27Å; R8-M10 PolarHBondContact O-N 3.49Å; R8-M10 VanDerWaalsContact O-N 3.1Å; M10-W12 PolarHBondContact O-N 2.96Å; M10-C13 WeakPolarHBondContact O-CB 3.29Å; M10-C13 PolarHBondContact O-N 3.36Å |
| 11 | A | 88.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.4 | -30.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V4 R8 G9 C13 T14 V15 C130 F131 | V4-A11 HydrophobicContact CG1-CB 3.69Å; R8-A11 WeakPolarHBondContact O-CB 3.32Å; R8-A11 PolarHBondContact O-N 3.44Å; G9-A11 VanDerWaalsContact C-N 3.27Å; G9-A11 PolarHBondContact O-N 2.92Å; A11-C13 PolarHBondContact O-N 3.43Å; A11-T14 WeakPolarHBondContact O-CB 3.25Å; A11-T14 PolarHBondContact O-N 3.45Å; A11-T14 PolarHBondContact O-OG1 3.44Å; A11-V15 PolarHBondContact O-N 3.42Å; A11-C130 HydrophobicContact CB-CB 4.08Å; A11-F131 VanDerWaalsContact C-CZ 3.49Å; A11-F131 HydrophobicContact CB-CE1 3.89Å; A11-F131 HydrophobicContact CB-CE2 3.76Å; A11-F131 HydrophobicContact CB-CZ 3.44Å; A11-F131 VanDerWaalsContact CB-CZ 3.44Å |
| 12 | W | 91.9 | Very high | 88.5 | Confident | 83 Ų | 83 | 43.6 Ų | 43.6 | 31% | 0.314 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.3 | -26.1 | 176.9 | -68.6 | 96.2 | 0 | 0 | 0 | 113.3 | G9 M10 T14 V15 V16 F131 L137 I141 | G9-W12 WeakPolarHBondContact O-CB 3.34Å; G9-W12 PolarHBondContact O-N 2.9Å; G9-W12 VanDerWaalsContact O-N 3.13Å; M10-W12 PolarHBondContact O-N 2.96Å; W12-T14 PolarHBondContact O-N 2.78Å; W12-V15 HydrophobicContact CE3-CB 4.27Å; W12-V15 HydrophobicContact CE3-CG1 4.45Å; W12-V15 HydrophobicContact CE3-CG2 4.02Å; W12-V15 HydrophobicContact CZ3-CG2 4.45Å; W12-V15 WeakPolarHBondContact O-CB 3.44Å; W12-V15 PolarHBondContact O-N 3.41Å; W12-V15 VanDerWaalsContact O-N 3.09Å; W12-V16 PolarHBondContact O-N 2.97Å; W12-F131 HydrophobicContact CD2-CE1 4.13Å; W12-F131 AromaticContact CD2-CZ 3.99Å; W12-F131 HydrophobicContact CD2-CZ 3.99Å; W12-F131 AromaticContact CE2-CE1 3.77Å; W12-F131 HydrophobicContact CE3-CZ 4.37Å; W12-F131 HydrophobicContact CG-CE1 4.44Å; W12-F131 HydrophobicContact CG-CZ 4.16Å; W12-F131 HydrophobicContact CZ2-CE1 4.07Å; W12-F131 AromaticContact NE1-CE1 3.84Å; W12-L137 HydrophobicContact CH2-CD2 3.89Å; W12-L137 HydrophobicContact CH2-CG 4.1Å; W12-I141 HydrophobicContact CH2-CD1 4.39Å; W12-I141 HydrophobicContact CZ3-CD1 3.79Å |
| 13 | C | 92.8 | Very high | 89.5 | Confident | 40 Ų | 40 | 41 Ų | 41 | 27% | 0.27 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.6 | -31.7 | 171.2 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | M1 M10 A11 V15 V16 G17 L186 | M1-C13 HydrophobicContact CE-CB 3.4Å; M1-C13 VanDerWaalsContact CE-CB 3.4Å; M1-C13 HydrophobicContact SD-CB 4.3Å; M10-C13 WeakPolarHBondContact O-CB 3.29Å; M10-C13 PolarHBondContact O-N 3.36Å; A11-C13 PolarHBondContact O-N 3.43Å; C13-V15 VanDerWaalsContact C-N 3.33Å; C13-V16 PolarHBondContact O-N 3.44Å; C13-G17 PolarHBondContact O-N 3.38Å; C13-L186 HydrophobicContact CB-CD2 4.34Å |
| 14 | T | 91.9 | Very high | 90.2 | Very high | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.025 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.7 | -37.7 | 174.6 | -52.8 | 0 | 0 | 0 | 0 | 110.7 | A11 W12 G17 G18 V126 V127 P188 | A11-T14 WeakPolarHBondContact O-CB 3.25Å; A11-T14 PolarHBondContact O-N 3.45Å; A11-T14 PolarHBondContact O-OG1 3.44Å; W12-T14 PolarHBondContact O-N 2.78Å; T14-G17 PolarHBondContact O-N 3.3Å; T14-G18 PolarHBondContact O-N 2.89Å; T14-V126 HydrophobicContact CG2-CG1 3.66Å; T14-V127 HydrophobicContact CG2-CG2 4.06Å; T14-P188 WeakPolarHBondContact OG1-CD 3.26Å |
| 15 | V | 91.7 | Very high | 90.7 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.9 | -43.9 | 174.3 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | A11 W12 C13 G17 G18 F19 V127 F131 A138 I141 | A11-V15 PolarHBondContact O-N 3.42Å; W12-V15 HydrophobicContact CE3-CB 4.27Å; W12-V15 HydrophobicContact CE3-CG1 4.45Å; W12-V15 HydrophobicContact CE3-CG2 4.02Å; W12-V15 HydrophobicContact CZ3-CG2 4.45Å; W12-V15 WeakPolarHBondContact O-CB 3.44Å; W12-V15 PolarHBondContact O-N 3.41Å; W12-V15 VanDerWaalsContact O-N 3.09Å; C13-V15 VanDerWaalsContact C-N 3.33Å; V15-G17 VanDerWaalsContact C-N 3.34Å; V15-G17 PolarHBondContact O-N 3.21Å; V15-G18 PolarHBondContact O-N 3.29Å; V15-F19 WeakPolarHBondContact O-CB 3.47Å; V15-F19 PolarHBondContact O-N 2.59Å; V15-V127 HydrophobicContact CG2-CG1 4.45Å; V15-F131 HydrophobicContact CG2-CD2 4.43Å; V15-F131 HydrophobicContact CG2-CE2 3.43Å; V15-F131 VanDerWaalsContact CG2-CE2 3.43Å; V15-F131 HydrophobicContact CG2-CZ 3.69Å; V15-A138 WeakPolarHBondContact CG1-O 3.48Å; V15-A138 HydrophobicContact CG2-CB 3.78Å; V15-I141 HydrophobicContact CG1-CB 3.9Å; V15-I141 HydrophobicContact CG1-CG2 3.66Å |
| 16 | V | 94.2 | Very high | 91.1 | Very high | 84 Ų | 84 | 35.2 Ų | 35.2 | 51% | 0.509 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.3 | -44.2 | 174.7 | 175.5 | 0 | 0 | 0 | 0 | 111 | W12 C13 G18 F19 V20 L186 | W12-V16 PolarHBondContact O-N 2.97Å; C13-V16 PolarHBondContact O-N 3.44Å; V16-G18 VanDerWaalsContact C-N 3.32Å; V16-G18 PolarHBondContact O-N 3.06Å; V16-F19 WeakPolarHBondContact O-CB 3.1Å; V16-F19 PolarHBondContact O-N 3.22Å; V16-V20 WeakPolarHBondContact O-CG2 3.42Å; V16-V20 PolarHBondContact O-N 2.9Å; V16-L186 HydrophobicContact CG1-CD1 4.25Å |
| 17 | G | 93.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.4 | -42 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | C13 T14 V15 V20 A21 T183 | C13-G17 PolarHBondContact O-N 3.38Å; T14-G17 PolarHBondContact O-N 3.3Å; V15-G17 VanDerWaalsContact C-N 3.34Å; V15-G17 PolarHBondContact O-N 3.21Å; G17-V20 PolarHBondContact O-N 3.49Å; G17-A21 PolarHBondContact O-N 3.35Å; G17-T183 WeakPolarHBondContact O-CB 3.28Å; G17-T183 VanDerWaalsContact O-CG2 3.22Å; G17-T183 WeakPolarHBondContact O-CG2 3.36Å; G17-T183 PolarHBondContact O-OG1 3.41Å |
| 18 | G | 93.6 | Very high | 92 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -39.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T14 V15 V16 A21 N22 V123 S142 | T14-G18 PolarHBondContact O-N 2.89Å; V15-G18 PolarHBondContact O-N 3.29Å; V16-G18 VanDerWaalsContact C-N 3.32Å; V16-G18 PolarHBondContact O-N 3.06Å; G18-A21 PolarHBondContact O-N 3.41Å; G18-N22 WeakPolarHBondContact O-CB 3.46Å; G18-N22 PolarHBondContact O-N 2.72Å; G18-N22 PolarHBondContact O-ND2 3.35Å; G18-N22 VanDerWaalsContact O-ND2 3.12Å; G18-V123 VanDerWaalsContact CA-CG1 3.4Å; G18-S142 WeakPolarHBondContact CA-OG 3.44Å |
| 19 | F | 94.3 | Very high | 92.2 | Very high | 64 Ų | 64 | 27.5 Ų | 27.5 | 28% | 0.281 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -58.7 | -50.1 | 173.2 | 179.8 | -90.2 | 0 | 0 | 0 | 111.4 | V15 V16 A21 N22 V23 I141 S142 G145 V148 | V15-F19 WeakPolarHBondContact O-CB 3.47Å; V15-F19 PolarHBondContact O-N 2.59Å; V16-F19 WeakPolarHBondContact O-CB 3.1Å; V16-F19 PolarHBondContact O-N 3.22Å; F19-A21 VanDerWaalsContact C-N 3.32Å; F19-A21 PolarHBondContact O-N 3.4Å; F19-N22 PolarHBondContact O-N 2.92Å; F19-N22 VanDerWaalsContact O-N 3.17Å; F19-V23 HydrophobicContact CD1-CG2 3.97Å; F19-V23 HydrophobicContact CE1-CG2 3.61Å; F19-V23 HydrophobicContact CZ-CG2 3.95Å; F19-V23 WeakPolarHBondContact O-CG2 3.15Å; F19-V23 PolarHBondContact O-N 3.24Å; F19-I141 WeakPolarHBondContact CD2-O 3.48Å; F19-S142 WeakPolarHBondContact CA-O 3.46Å; F19-G145 VanDerWaalsContact CE2-CA 3.48Å; F19-V148 HydrophobicContact CE2-CG2 4.32Å; F19-V148 HydrophobicContact CZ-CB 4.29Å; F19-V148 HydrophobicContact CZ-CG1 4.45Å; F19-V148 HydrophobicContact CZ-CG2 4.02Å |
| 20 | V | 95.4 | Very high | 92.5 | Very high | 40 Ų | 40 | 25.7 Ų | 25.7 | 24% | 0.242 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.8 | -43.9 | 177.6 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | V16 G17 V23 V24 | V16-V20 WeakPolarHBondContact O-CG2 3.42Å; V16-V20 PolarHBondContact O-N 2.9Å; G17-V20 PolarHBondContact O-N 3.49Å; V20-V23 PolarHBondContact O-N 3.32Å; V20-V24 PolarHBondContact O-N 2.85Å |
| 21 | A | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.2 | -48.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G17 G18 F19 V23 V24 L25 I119 V123 L180 T183 | G17-A21 PolarHBondContact O-N 3.35Å; G18-A21 PolarHBondContact O-N 3.41Å; F19-A21 VanDerWaalsContact C-N 3.32Å; F19-A21 PolarHBondContact O-N 3.4Å; A21-V23 VanDerWaalsContact C-N 3.31Å; A21-V23 PolarHBondContact O-N 2.8Å; A21-V24 PolarHBondContact O-N 2.87Å; A21-L25 WeakPolarHBondContact O-CB 3.42Å; A21-L25 WeakPolarHBondContact O-CD1 3.5Å; A21-L25 PolarHBondContact O-N 3.09Å; A21-I119 HydrophobicContact CB-CG2 3.87Å; A21-V123 HydrophobicContact CB-CG2 4.11Å; A21-L180 HydrophobicContact CB-CD2 4.09Å; A21-T183 HydrophobicContact CB-CG2 3.88Å; A21-T183 WeakPolarHBondContact CB-OG1 3.41Å; A21-T183 PolarHBondContact N-OG1 3.47Å |
| 22 | N | 94.3 | Very high | 93 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67 | -28.7 | -179.2 | -76.6 | -41.5 | 0 | 0 | 0 | 113.3 | G18 F19 G26 S142 G145 V146 | G18-N22 WeakPolarHBondContact O-CB 3.46Å; G18-N22 PolarHBondContact O-N 2.72Å; G18-N22 PolarHBondContact O-ND2 3.35Å; G18-N22 VanDerWaalsContact O-ND2 3.12Å; F19-N22 PolarHBondContact O-N 2.92Å; F19-N22 VanDerWaalsContact O-N 3.17Å; N22-G26 WeakPolarHBondContact O-CA 3.43Å; N22-G26 PolarHBondContact O-N 2.72Å; N22-S142 WeakPolarHBondContact CB-O 3.37Å; N22-S142 PolarHBondContact ND2-O 3.22Å; N22-S142 PolarHBondContact ND2-OG 3.17Å; N22-G145 CarbonylContact O-C 3.33Å; N22-V146 HydrophobicContact CB-CG2 3.91Å; N22-V146 WeakPolarHBondContact O-CA 3.26Å; N22-V146 PolarHBondContact O-N 3.21Å |
| 23 | V | 96 | Very high | 93 | Very high | 28 Ų | 28 | 17.4 Ų | 17.4 | 17% | 0.17 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.6 | -49.4 | 170.3 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | F19 V20 A21 G27 G145 V148 G149 F153 | F19-V23 HydrophobicContact CD1-CG2 3.97Å; F19-V23 HydrophobicContact CE1-CG2 3.61Å; F19-V23 HydrophobicContact CZ-CG2 3.95Å; F19-V23 WeakPolarHBondContact O-CG2 3.15Å; F19-V23 PolarHBondContact O-N 3.24Å; V20-V23 PolarHBondContact O-N 3.32Å; A21-V23 VanDerWaalsContact C-N 3.31Å; A21-V23 PolarHBondContact O-N 2.8Å; V23-G27 WeakPolarHBondContact O-CA 3.12Å; V23-G27 PolarHBondContact O-N 3.01Å; V23-G145 VanDerWaalsContact CA-O 3.23Å; V23-G145 WeakPolarHBondContact CA-O 3.28Å; V23-G145 WeakPolarHBondContact CG2-O 3.41Å; V23-V148 HydrophobicContact CG2-CB 4.25Å; V23-V148 HydrophobicContact CG2-CG1 4.31Å; V23-G149 WeakPolarHBondContact O-CA 3.27Å; V23-F153 HydrophobicContact CG1-CE2 4.09Å |
| 24 | V | 95.7 | Very high | 93 | Very high | 9 Ų | 9 | 16 Ų | 16 | 6% | 0.055 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -70.1 | -46.6 | -179 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | V20 A21 L28 F153 L180 | V20-V24 PolarHBondContact O-N 2.85Å; A21-V24 PolarHBondContact O-N 2.87Å; V24-L28 HydrophobicContact CG1-CD1 3.88Å; V24-L28 WeakPolarHBondContact O-CB 3.29Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.43Å; V24-L28 PolarHBondContact O-N 3.45Å; V24-F153 HydrophobicContact CB-CZ 4.42Å; V24-F153 HydrophobicContact CG1-CZ 4.48Å; V24-F153 HydrophobicContact CG2-CZ 4.41Å; V24-L180 HydrophobicContact CB-CD2 3.87Å; V24-L180 HydrophobicContact CB-CG 4.39Å; V24-L180 HydrophobicContact CG1-CD1 4.09Å; V24-L180 HydrophobicContact CG1-CD2 4.12Å; V24-L180 HydrophobicContact CG1-CG 4.14Å; V24-L180 HydrophobicContact CG2-CD2 4.29Å |
| 25 | L | 92.2 | Very high | 93.1 | Very high | 13 Ų | 13 | 16.8 Ų | 16.8 | 7% | 0.068 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.4 | -50.4 | 179.6 | -92.1 | 68.2 | 0 | 0 | 0 | 111.8 | A21 G29 L116 I119 Y120 L180 | A21-L25 WeakPolarHBondContact O-CB 3.42Å; A21-L25 WeakPolarHBondContact O-CD1 3.5Å; A21-L25 PolarHBondContact O-N 3.09Å; L25-G29 PolarHBondContact O-N 3.2Å; L25-L116 HydrophobicContact CD1-CD2 3.84Å; L25-L116 HydrophobicContact CD2-CB 4.43Å; L25-L116 HydrophobicContact CD2-CD2 4.14Å; L25-L116 HydrophobicContact CG-CD1 4.33Å; L25-L116 HydrophobicContact CG-CD2 3.61Å; L25-L116 HydrophobicContact CG-CG 4.4Å; L25-I119 HydrophobicContact CD1-CD1 4.46Å; L25-I119 HydrophobicContact CD1-CG2 4.1Å; L25-I119 HydrophobicContact CD2-CB 4.43Å; L25-I119 HydrophobicContact CD2-CG2 4.27Å; L25-Y120 HydrophobicContact CD2-CD2 4.24Å; L25-Y120 HydrophobicContact CD2-CG 4.49Å; L25-L180 HydrophobicContact CD1-CD1 4.21Å; L25-L180 HydrophobicContact CD1-CD2 3.71Å |
| 26 | G | 88.7 | Confident | 93.2 | Very high | 7 Ų | 7 | 16.7 Ų | 16.7 | 7% | 0.072 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.9 | -41.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N22 G29 K30 | N22-G26 WeakPolarHBondContact O-CA 3.43Å; N22-G26 PolarHBondContact O-N 2.72Å; G26-G29 PolarHBondContact O-N 3.34Å; G26-K30 VanDerWaalsContact O-CB 3.25Å; G26-K30 WeakPolarHBondContact O-CB 3.31Å; G26-K30 WeakPolarHBondContact O-CG 3.29Å; G26-K30 PolarHBondContact O-N 2.94Å |
| 27 | G | 92.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.2 | -48.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V23 S31 G149 F153 | V23-G27 WeakPolarHBondContact O-CA 3.12Å; V23-G27 PolarHBondContact O-N 3.01Å; G27-S31 WeakPolarHBondContact O-CB 3.36Å; G27-S31 PolarHBondContact O-N 3.11Å; G27-S31 VanDerWaalsContact O-N 3.08Å; G27-S31 PolarHBondContact O-OG 3.09Å; G27-G149 VanDerWaalsContact CA-C 3.42Å; G27-G149 WeakPolarHBondContact CA-O 3.43Å; G27-F153 VanDerWaalsContact CA-CG 3.4Å; G27-F153 WeakPolarHBondContact O-CB 3.33Å |
| 28 | L | 91.5 | Very high | 93.2 | Very high | 26 Ų | 26 | 15.6 Ų | 15.6 | 14% | 0.136 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.9 | -42.9 | 175.9 | -73.5 | 172.6 | 0 | 0 | 0 | 112.4 | V24 Y32 F153 M173 | V24-L28 HydrophobicContact CG1-CD1 3.88Å; V24-L28 WeakPolarHBondContact O-CB 3.29Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.43Å; V24-L28 PolarHBondContact O-N 3.45Å; L28-Y32 WeakPolarHBondContact O-CA 3.41Å; L28-Y32 PolarHBondContact O-N 3Å; L28-F153 HydrophobicContact CD2-CD1 4.18Å; L28-F153 HydrophobicContact CD2-CE1 4Å; L28-F153 HydrophobicContact CG-CD1 4.21Å; L28-F153 HydrophobicContact CG-CE1 3.81Å; L28-M173 HydrophobicContact CD2-CE 3.4Å; L28-M173 HydrophobicContact CG-CE 4.43Å |
| 29 | G | 90 | Very high | 93.3 | Very high | 10 Ų | 10 | 15.7 Ų | 15.7 | 10% | 0.103 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67.3 | -50.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L25 G26 S31 Y32 | L25-G29 PolarHBondContact O-N 3.2Å; G26-G29 PolarHBondContact O-N 3.34Å; G29-S31 VanDerWaalsContact C-N 3.3Å; G29-S31 PolarHBondContact O-N 3.28Å; G29-Y32 VanDerWaalsContact O-CB 3.25Å; G29-Y32 WeakPolarHBondContact O-CB 3.46Å; G29-Y32 PolarHBondContact O-N 3.34Å |
| 30 | K | 90.6 | Very high | 93.3 | Very high | 22 Ų | 22 | 14.8 Ų | 14.8 | 10% | 0.096 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -73.3 | -20 | -178.5 | -67.5 | -64.7 | -163.4 | 174.1 | 0 | 113.5 | G26 Q150 D320 S434 | G26-K30 VanDerWaalsContact O-CB 3.25Å; G26-K30 WeakPolarHBondContact O-CB 3.31Å; G26-K30 WeakPolarHBondContact O-CG 3.29Å; G26-K30 PolarHBondContact O-N 2.94Å; K30-Q150 HydrophobicContact CB-CB 4.08Å; K30-Q150 HydrophobicContact CB-CG 3.92Å; K30-Q150 HydrophobicContact CG-CB 4.31Å; K30-Q150 HydrophobicContact CG-CG 4.32Å; K30-D320 IonicContact NZ-OD2 3.36Å; K30-S434 PolarHBondContact NZ-OG 3.34Å |
| 31 | S | 91.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 14.3 | 175.8 | -41.5 | 0 | 0 | 0 | 0 | 112.7 | G27 G29 S33 L34 F153 P154 I157 | G27-S31 WeakPolarHBondContact O-CB 3.36Å; G27-S31 PolarHBondContact O-N 3.11Å; G27-S31 VanDerWaalsContact O-N 3.08Å; G27-S31 PolarHBondContact O-OG 3.09Å; G29-S31 VanDerWaalsContact C-N 3.3Å; G29-S31 PolarHBondContact O-N 3.28Å; S31-S33 PolarHBondContact O-N 3.39Å; S31-L34 PolarHBondContact O-N 3.43Å; S31-L34 VanDerWaalsContact O-N 3.16Å; S31-F153 WeakPolarHBondContact OG-CB 3.37Å; S31-P154 WeakPolarHBondContact OG-CD 3.44Å; S31-P154 WeakPolarHBondContact OG-CG 3.49Å; S31-I157 VanDerWaalsContact CB-CD1 3.5Å |
| 32 | Y | 94.3 | Very high | 93.2 | Very high | 10 Ų | 10 | 23.2 Ų | 23.2 | 4% | 0.039 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -54.6 | -41.8 | -176.4 | 169.3 | -102.5 | 0 | 0 | 0 | 112.1 | L28 G29 L34 V35 M36 L50 G54 I57 W104 V108 F325 | L28-Y32 WeakPolarHBondContact O-CA 3.41Å; L28-Y32 PolarHBondContact O-N 3Å; G29-Y32 VanDerWaalsContact O-CB 3.25Å; G29-Y32 WeakPolarHBondContact O-CB 3.46Å; G29-Y32 PolarHBondContact O-N 3.34Å; Y32-L34 PolarHBondContact O-N 3.39Å; Y32-V35 WeakPolarHBondContact O-CB 3.48Å; Y32-V35 PolarHBondContact O-N 3.45Å; Y32-M36 HydrophobicContact CD1-CB 4.35Å; Y32-M36 HydrophobicContact CE1-CB 3.89Å; Y32-M36 HydrophobicContact CE1-CG 3.98Å; Y32-M36 HydrophobicContact CE1-SD 3.92Å; Y32-M36 WeakPolarHBondContact O-CB 3.44Å; Y32-M36 PolarHBondContact O-N 2.9Å; Y32-L50 PolarHBondContact OH-O 3.49Å; Y32-G54 VanDerWaalsContact CE1-CA 3.48Å; Y32-G54 VanDerWaalsContact CZ-CA 3.45Å; Y32-G54 PolarHBondContact OH-N 2.94Å; Y32-G54 VanDerWaalsContact OH-N 3.15Å; Y32-I57 HydrophobicContact CD2-CD1 4Å; Y32-I57 HydrophobicContact CE2-CD1 3.99Å; Y32-W104 HydrophobicContact CE2-CH2 4.15Å; Y32-W104 WeakPolarHBondContact OH-CH2 3.46Å; Y32-V108 HydrophobicContact CE2-CG1 3.83Å; Y32-F325 AromaticContact CD1-CD1 3.96Å; Y32-F325 HydrophobicContact CD1-CD1 3.96Å; Y32-F325 HydrophobicContact CD1-CD2 4.15Å; Y32-F325 AromaticContact CD1-CE1 3.52Å; Y32-F325 HydrophobicContact CD1-CE1 3.52Å; Y32-F325 AromaticContact CD1-CE2 3.75Å; Y32-F325 HydrophobicContact CD1-CE2 3.75Å; Y32-F325 HydrophobicContact CD1-CG 4.25Å; Y32-F325 AromaticContact CD1-CZ 3.4Å; Y32-F325 HydrophobicContact CD1-CZ 3.4Å; Y32-F325 HydrophobicContact CE1-CD2 4.34Å; Y32-F325 HydrophobicContact CE1-CE1 4.46Å; Y32-F325 AromaticContact CE1-CE2 3.9Å; Y32-F325 HydrophobicContact CE1-CE2 3.9Å; Y32-F325 AromaticContact CE1-CZ 3.94Å; Y32-F325 HydrophobicContact CE1-CZ 3.94Å; Y32-F325 HydrophobicContact CG-CE1 4.02Å; Y32-F325 HydrophobicContact CG-CZ 4.06Å |
| 33 | S | 91.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60 | -29.9 | -178 | 46.7 | 0 | 0 | 0 | 0 | 113.6 | S31 M36 E37 F325 P328 | S31-S33 PolarHBondContact O-N 3.39Å; S33-M36 WeakPolarHBondContact O-CB 3.48Å; S33-M36 PolarHBondContact O-N 3.17Å; S33-E37 WeakPolarHBondContact O-CB 3.43Å; S33-E37 PolarHBondContact O-N 2.93Å; S33-F325 WeakPolarHBondContact CB-O 3.07Å; S33-P328 WeakPolarHBondContact OG-CB 3.05Å; S33-P328 VanDerWaalsContact OG-CG 3.28Å; S33-P328 WeakPolarHBondContact OG-CG 3.33Å |
| 34 | L | 93.7 | Very high | 93.1 | Very high | 10 Ų | 10 | 32.4 Ų | 32.4 | 5% | 0.052 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -73.3 | -32.6 | 175.4 | -62 | 174.6 | 0 | 0 | 0 | 112.4 | S31 Y32 A38 P154 I157 N161 P328 I341 I345 | S31-L34 PolarHBondContact O-N 3.43Å; S31-L34 VanDerWaalsContact O-N 3.16Å; Y32-L34 PolarHBondContact O-N 3.39Å; L34-A38 PolarHBondContact O-N 2.89Å; L34-P154 HydrophobicContact CD1-CB 3.8Å; L34-I157 HydrophobicContact CB-CG2 3.88Å; L34-N161 PolarHBondContact O-ND2 3.35Å; L34-P328 HydrophobicContact CD2-CB 4.12Å; L34-I341 HydrophobicContact CD2-CG2 4.45Å; L34-I345 HydrophobicContact CD1-CD1 4.13Å |
| 35 | V | 94.1 | Very high | 92.9 | Very high | 21 Ų | 21 | 33.4 Ų | 33.4 | 13% | 0.127 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.6 | -46.2 | 172.4 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | Y32 E37 A38 F39 W104 I157 | Y32-V35 WeakPolarHBondContact O-CB 3.48Å; Y32-V35 PolarHBondContact O-N 3.45Å; V35-E37 PolarHBondContact O-N 3Å; V35-A38 PolarHBondContact O-N 2.66Å; V35-F39 HydrophobicContact CG1-CD2 4.04Å; V35-F39 HydrophobicContact CG1-CE2 4.15Å; V35-F39 WeakPolarHBondContact O-CD2 3.18Å; V35-F39 PolarHBondContact O-N 2.83Å; V35-F39 VanDerWaalsContact O-N 3.13Å; V35-W104 HydrophobicContact CG1-CZ2 4.43Å; V35-I157 HydrophobicContact CG2-CD1 3.93Å; V35-I157 HydrophobicContact CG2-CG1 4.33Å; V35-I157 HydrophobicContact CG2-CG2 3.86Å |
| 36 | M | 93.2 | Very high | 93 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.6 | -49.9 | 178.8 | -175.4 | -157.4 | 72.9 | 0 | 0 | 112 | Y32 S33 A38 F39 Q40 L50 F51 V329 | Y32-M36 HydrophobicContact CD1-CB 4.35Å; Y32-M36 HydrophobicContact CE1-CB 3.89Å; Y32-M36 HydrophobicContact CE1-CG 3.98Å; Y32-M36 HydrophobicContact CE1-SD 3.92Å; Y32-M36 WeakPolarHBondContact O-CB 3.44Å; Y32-M36 PolarHBondContact O-N 2.9Å; S33-M36 WeakPolarHBondContact O-CB 3.48Å; S33-M36 PolarHBondContact O-N 3.17Å; M36-A38 VanDerWaalsContact C-N 3.34Å; M36-A38 PolarHBondContact O-N 3.46Å; M36-F39 CarbonylContact O-C 3.55Å; M36-F39 PolarHBondContact O-N 3.24Å; M36-F39 VanDerWaalsContact O-N 3.16Å; M36-Q40 WeakPolarHBondContact O-CB 3.33Å; M36-Q40 PolarHBondContact O-N 3.12Å; M36-L50 HydrophobicContact CG-CB 3.5Å; M36-L50 VanDerWaalsContact CG-CB 3.5Å; M36-L50 HydrophobicContact CG-CD1 4.07Å; M36-L50 HydrophobicContact CG-CD2 4.25Å; M36-L50 HydrophobicContact CG-CG 4.16Å; M36-L50 HydrophobicContact SD-CB 3.93Å; M36-F51 HydrophobicContact CE-CD2 4Å; M36-F51 HydrophobicContact CE-CE2 3.5Å; M36-F51 HydrophobicContact CE-CZ 4.5Å; M36-F51 HydrophobicContact SD-CD2 3.39Å; M36-F51 WeakPolarHBondContact SD-CD2 3.18Å; M36-F51 HydrophobicContact SD-CE2 3.51Å; M36-F51 VanDerWaalsContact SD-CE2 3.51Å; M36-F51 HydrophobicContact SD-CG 4.44Å; M36-V329 HydrophobicContact CE-CG1 3.63Å |
| 37 | E | 93.8 | Very high | 93.2 | Very high | 49 Ų | 49 | 34 Ų | 34 | 23% | 0.229 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57 | -45.4 | 177.5 | 179.7 | 177.5 | -149.4 | 0 | 0 | 111.9 | S33 V35 F39 Q40 E41 V329 T332 | S33-E37 WeakPolarHBondContact O-CB 3.43Å; S33-E37 PolarHBondContact O-N 2.93Å; V35-E37 PolarHBondContact O-N 3Å; E37-F39 VanDerWaalsContact C-N 3.3Å; E37-F39 PolarHBondContact O-N 2.73Å; E37-Q40 VanDerWaalsContact O-CB 3.27Å; E37-Q40 WeakPolarHBondContact O-CB 3.39Å; E37-Q40 PolarHBondContact O-N 3.04Å; E37-Q40 VanDerWaalsContact O-N 3.11Å; E37-E41 PolarHBondContact O-N 3.43Å; E37-E41 VanDerWaalsContact O-N 3.11Å; E37-V329 HydrophobicContact CB-CG1 4.09Å; E37-V329 HydrophobicContact CG-CG1 4.46Å; E37-T332 WeakPolarHBondContact OE1-CB 3.11Å; E37-T332 WeakPolarHBondContact OE1-CG2 3.48Å; E37-T332 PolarHBondContact OE1-OG1 2.83Å |
| 38 | A | 94.6 | Very high | 93.3 | Very high | 13 Ų | 13 | 34.2 Ų | 34.2 | 11% | 0.107 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.9 | -34.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L34 V35 M36 V42 N161 A166 | L34-A38 PolarHBondContact O-N 2.89Å; V35-A38 PolarHBondContact O-N 2.66Å; M36-A38 VanDerWaalsContact C-N 3.34Å; M36-A38 PolarHBondContact O-N 3.46Å; A38-V42 WeakPolarHBondContact O-CG2 3.29Å; A38-V42 PolarHBondContact O-N 3.39Å; A38-N161 VanDerWaalsContact CB-ND2 3.34Å; A38-N161 WeakPolarHBondContact CB-ND2 3.37Å; A38-A166 HydrophobicContact CB-CB 3.74Å |
| 39 | F | 95.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 1% | 0.013 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -82.4 | -23.1 | 173.5 | -81.2 | -83.3 | 0 | 0 | 0 | 113.2 | V35 M36 E37 E41 V42 F43 W104 A166 R167 | V35-F39 HydrophobicContact CG1-CD2 4.04Å; V35-F39 HydrophobicContact CG1-CE2 4.15Å; V35-F39 WeakPolarHBondContact O-CD2 3.18Å; V35-F39 PolarHBondContact O-N 2.83Å; V35-F39 VanDerWaalsContact O-N 3.13Å; M36-F39 CarbonylContact O-C 3.55Å; M36-F39 PolarHBondContact O-N 3.24Å; M36-F39 VanDerWaalsContact O-N 3.16Å; E37-F39 VanDerWaalsContact C-N 3.3Å; E37-F39 PolarHBondContact O-N 2.73Å; F39-E41 VanDerWaalsContact C-N 3.3Å; F39-V42 PolarHBondContact O-N 3.29Å; F39-F43 HydrophobicContact CB-CD2 4.24Å; F39-F43 HydrophobicContact CB-CE2 4.17Å; F39-F43 HydrophobicContact CD1-CD2 4.42Å; F39-F43 AromaticContact CD1-CE2 3.68Å; F39-F43 HydrophobicContact CD1-CE2 3.68Å; F39-F43 HydrophobicContact CD1-CZ 4.18Å; F39-F43 HydrophobicContact CG-CE2 4.36Å; F39-F43 WeakPolarHBondContact O-CD2 3.43Å; F39-F43 PolarHBondContact O-N 2.98Å; F39-W104 HydrophobicContact CB-CZ2 3.99Å; F39-W104 AromaticContact CD1-CD1 3.52Å; F39-W104 AromaticContact CD1-NE1 3.24Å; F39-W104 AromaticContact CD2-CE2 3.86Å; F39-W104 AromaticContact CD2-CZ2 3.87Å; F39-W104 HydrophobicContact CD2-CZ2 3.87Å; F39-W104 AromaticContact CD2-NE1 3.34Å; F39-W104 VanDerWaalsContact CD2-NE1 3.34Å; F39-W104 AromaticContact CE1-CD1 3.72Å; F39-W104 AromaticContact CE1-NE1 3.52Å; F39-W104 AromaticContact CE2-NE1 3.63Å; F39-W104 AromaticContact CG-CD1 3.89Å; F39-W104 AromaticContact CG-CE2 3.71Å; F39-W104 HydrophobicContact CG-CZ2 4.01Å; F39-W104 AromaticContact CG-NE1 3.15Å; F39-W104 AromaticContact CZ-NE1 3.72Å; F39-A166 HydrophobicContact CD2-CB 4.38Å; F39-A166 HydrophobicContact CE2-CB 4.25Å; F39-A166 HydrophobicContact CZ-CB 4.36Å; F39-R167 HydrophobicContact CE1-CG 4.5Å |
| 40 | Q | 94.4 | Very high | 93.8 | Very high | 45 Ų | 45 | 38.8 Ų | 38.8 | 21% | 0.21 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.4 | -44.5 | 170.8 | -166.9 | 171.8 | -17.5 | 0 | 0 | 110.5 | M36 E37 E44 C45 S47 L50 | M36-Q40 WeakPolarHBondContact O-CB 3.33Å; M36-Q40 PolarHBondContact O-N 3.12Å; E37-Q40 VanDerWaalsContact O-CB 3.27Å; E37-Q40 WeakPolarHBondContact O-CB 3.39Å; E37-Q40 PolarHBondContact O-N 3.04Å; E37-Q40 VanDerWaalsContact O-N 3.11Å; Q40-E44 WeakPolarHBondContact O-CA 3.46Å; Q40-E44 PolarHBondContact O-N 3.45Å; Q40-C45 WeakPolarHBondContact CG-O 3.34Å; Q40-C45 PolarHBondContact NE2-O 2.99Å; Q40-C45 VanDerWaalsContact NE2-O 3.09Å; Q40-C45 PolarHBondContact O-N 3.44Å; Q40-S47 PolarHBondContact NE2-OG 3.33Å; Q40-S47 PolarHBondContact OE1-OG 2.99Å; Q40-L50 HydrophobicContact CB-CD1 3.41Å; Q40-L50 VanDerWaalsContact CB-CD1 3.41Å; Q40-L50 HydrophobicContact CG-CD1 3.62Å |
| 41 | E | 93 | Very high | 94.1 | Very high | 157 Ų | 157 | 37.8 Ų | 37.8 | 73% | 0.734 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -62.9 | -46.2 | 174.3 | -171.1 | -179.3 | 179.6 | 0 | 0 | 111.6 | E37 F39 F43 E44 | E37-E41 PolarHBondContact O-N 3.43Å; E37-E41 VanDerWaalsContact O-N 3.11Å; F39-E41 VanDerWaalsContact C-N 3.3Å; E41-F43 VanDerWaalsContact C-N 3.32Å; E41-F43 PolarHBondContact O-N 3.05Å; E41-E44 PolarHBondContact O-N 2.92Å |
| 42 | V | 94.8 | Very high | 94.3 | Very high | 60 Ų | 60 | 39.8 Ų | 39.8 | 36% | 0.364 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62 | -36.6 | 179.9 | 169.5 | 0 | 0 | 0 | 0 | 113.4 | A38 F39 A166 | A38-V42 WeakPolarHBondContact O-CG2 3.29Å; A38-V42 PolarHBondContact O-N 3.39Å; F39-V42 PolarHBondContact O-N 3.29Å; V42-A166 HydrophobicContact CG2-CB 3.82Å |
| 43 | F | 94.6 | Very high | 94.4 | Very high | 38 Ų | 38 | 39.3 Ų | 39.3 | 17% | 0.167 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -96.6 | -2.5 | -178.8 | -64.4 | -54.4 | 0 | 0 | 0 | 113.7 | F39 E41 C45 S98 L101 W104 | F39-F43 HydrophobicContact CB-CD2 4.24Å; F39-F43 HydrophobicContact CB-CE2 4.17Å; F39-F43 HydrophobicContact CD1-CD2 4.42Å; F39-F43 AromaticContact CD1-CE2 3.68Å; F39-F43 HydrophobicContact CD1-CE2 3.68Å; F39-F43 HydrophobicContact CD1-CZ 4.18Å; F39-F43 HydrophobicContact CG-CE2 4.36Å; F39-F43 WeakPolarHBondContact O-CD2 3.43Å; F39-F43 PolarHBondContact O-N 2.98Å; E41-F43 VanDerWaalsContact C-N 3.32Å; E41-F43 PolarHBondContact O-N 3.05Å; F43-C45 HydrophobicContact CB-CB 4.28Å; F43-C45 PolarHBondContact O-N 3.09Å; F43-S98 WeakPolarHBondContact CZ-OG 3.45Å; F43-L101 HydrophobicContact CD2-CB 4.45Å; F43-L101 HydrophobicContact CD2-CD1 3.95Å; F43-L101 HydrophobicContact CE2-CD1 4.47Å; F43-L101 HydrophobicContact CG-CB 4.39Å; F43-W104 HydrophobicContact CE2-CB 3.79Å; F43-W104 AromaticContact CE2-CD1 3.78Å; F43-W104 AromaticContact CE2-CG 3.78Å; F43-W104 HydrophobicContact CE2-CG 3.78Å; F43-W104 HydrophobicContact CZ-CB 4.05Å; F43-W104 HydrophobicContact CZ-CG 4.34Å |
| 44 | E | 94.2 | Very high | 94.5 | Very high | 187 Ų | 187 | 39.3 Ų | 39.3 | 87% | 0.874 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.7 | 47.6 | -177.2 | -61 | -179.2 | 177.2 | 0 | 0 | 112.1 | Q40 E41 | Q40-E44 WeakPolarHBondContact O-CA 3.46Å; Q40-E44 PolarHBondContact O-N 3.45Å; E41-E44 PolarHBondContact O-N 2.92Å |
| 45 | C | 92.9 | Very high | 94.6 | Very high | 30 Ų | 30 | 38.9 Ų | 38.9 | 20% | 0.203 | 20% | 0.197 | C | C | . | . | trans | -119.6 | 165 | -170.6 | 69.8 | 0 | 0 | 0 | 0 | 112.9 | Q40 F43 L101 | Q40-C45 WeakPolarHBondContact CG-O 3.34Å; Q40-C45 PolarHBondContact NE2-O 2.99Å; Q40-C45 VanDerWaalsContact NE2-O 3.09Å; Q40-C45 PolarHBondContact O-N 3.44Å; F43-C45 HydrophobicContact CB-CB 4.28Å; F43-C45 PolarHBondContact O-N 3.09Å; C45-L101 HydrophobicContact CB-CD2 3.97Å | ||
| 46 | G | 93.3 | Very high | 94.6 | Very high | 30 Ų | 30 | 40.1 Ų | 40.1 | 31% | 0.309 | 20% | 0.203 | S | C | . | . | trans | -67.9 | 164.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D481 | G46-D481 VanDerWaalsContact CA-OD1 3.28Å; G46-D481 WeakPolarHBondContact CA-OD1 3.39Å; G46-D481 WeakPolarHBondContact CA-OD2 3.39Å | ||
| 47 | S | 93.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -77.4 | -18.7 | -178.4 | -58.7 | 0 | 0 | 0 | 0 | 113.5 | Q40 Y49 L50 F51 D481 | Q40-S47 PolarHBondContact NE2-OG 3.33Å; Q40-S47 PolarHBondContact OE1-OG 2.99Å; S47-Y49 PolarHBondContact O-N 3.19Å; S47-L50 WeakPolarHBondContact O-CB 3.5Å; S47-L50 PolarHBondContact O-N 2.95Å; S47-F51 WeakPolarHBondContact O-CB 3.47Å; S47-F51 WeakPolarHBondContact O-CD2 3.44Å; S47-F51 PolarHBondContact O-N 3.45Å; S47-D481 VanDerWaalsContact N-CG 3.29Å; S47-D481 PolarHBondContact N-OD1 3Å; S47-D481 PolarHBondContact N-OD2 3.38Å; S47-D481 VanDerWaalsContact N-OD2 3.09Å |
| 48 | A | 95.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.033 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.6 | -53 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L50 F51 L52 F474 F478 D481 | A48-L50 VanDerWaalsContact C-N 3.28Å; A48-L50 PolarHBondContact O-N 3.26Å; A48-F51 PolarHBondContact O-N 3.08Å; A48-L52 WeakPolarHBondContact O-CB 3.27Å; A48-L52 PolarHBondContact O-N 3.38Å; A48-F474 HydrophobicContact CB-CD2 4.08Å; A48-F474 HydrophobicContact CB-CE2 3.81Å; A48-F474 HydrophobicContact CB-CZ 4.45Å; A48-F474 WeakPolarHBondContact O-CD2 3.32Å; A48-F478 HydrophobicContact CB-CB 4.13Å; A48-D481 VanDerWaalsContact CB-OD2 3.25Å; A48-D481 WeakPolarHBondContact CB-OD2 3.4Å; A48-D481 PolarHBondContact N-OD2 3.02Å |
| 49 | Y | 95.4 | Very high | 94.7 | Very high | 133 Ų | 133 | 40 Ų | 40 | 52% | 0.522 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -70.3 | -28.2 | -178.5 | -69.1 | -68.9 | 0 | 0 | 0 | 112.9 | S47 L52 A53 L101 V105 F474 | S47-Y49 PolarHBondContact O-N 3.19Å; Y49-L52 HydrophobicContact CD1-CD2 4.35Å; Y49-L52 WeakPolarHBondContact O-CB 3.5Å; Y49-A53 PolarHBondContact O-N 3.31Å; Y49-A53 VanDerWaalsContact O-N 3.09Å; Y49-L101 HydrophobicContact CD2-CD2 4.21Å; Y49-L101 HydrophobicContact CG-CD2 4.33Å; Y49-V105 WeakPolarHBondContact O-CG2 3.48Å; Y49-F474 HydrophobicContact CD1-CE2 4.49Å; Y49-F474 HydrophobicContact CE1-CE2 4.44Å |
| 50 | L | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.5 | -48.5 | 175.1 | -74.4 | 174.4 | 0 | 0 | 0 | 110.6 | Y32 M36 Q40 S47 A48 L52 A53 G54 L101 W104 | Y32-L50 PolarHBondContact OH-O 3.49Å; M36-L50 HydrophobicContact CG-CB 3.5Å; M36-L50 VanDerWaalsContact CG-CB 3.5Å; M36-L50 HydrophobicContact CG-CD1 4.07Å; M36-L50 HydrophobicContact CG-CD2 4.25Å; M36-L50 HydrophobicContact CG-CG 4.16Å; M36-L50 HydrophobicContact SD-CB 3.93Å; Q40-L50 HydrophobicContact CB-CD1 3.41Å; Q40-L50 VanDerWaalsContact CB-CD1 3.41Å; Q40-L50 HydrophobicContact CG-CD1 3.62Å; S47-L50 WeakPolarHBondContact O-CB 3.5Å; S47-L50 PolarHBondContact O-N 2.95Å; A48-L50 VanDerWaalsContact C-N 3.28Å; A48-L50 PolarHBondContact O-N 3.26Å; L50-L52 VanDerWaalsContact C-N 3.26Å; L50-L52 PolarHBondContact O-N 2.94Å; L50-A53 WeakPolarHBondContact O-CB 3.27Å; L50-A53 PolarHBondContact O-N 3.19Å; L50-G54 PolarHBondContact O-N 3.34Å; L50-L101 HydrophobicContact CD2-CD1 3.74Å; L50-L101 HydrophobicContact CG-CD1 4.15Å; L50-W104 HydrophobicContact CD2-CD2 4.46Å; L50-W104 HydrophobicContact CD2-CE3 3.74Å; L50-W104 HydrophobicContact CD2-CH2 3.8Å; L50-W104 HydrophobicContact CD2-CZ2 4.5Å; L50-W104 HydrophobicContact CD2-CZ3 3.37Å |
| 51 | F | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.3 | -37.2 | 171.6 | -89.1 | -121.3 | 0 | 0 | 0 | 112.4 | M36 S47 A48 A53 G54 G55 F325 I326 Q473 M476 F486 | M36-F51 HydrophobicContact CE-CD2 4Å; M36-F51 HydrophobicContact CE-CE2 3.5Å; M36-F51 HydrophobicContact CE-CZ 4.5Å; M36-F51 HydrophobicContact SD-CD2 3.39Å; M36-F51 WeakPolarHBondContact SD-CD2 3.18Å; M36-F51 HydrophobicContact SD-CE2 3.51Å; M36-F51 VanDerWaalsContact SD-CE2 3.51Å; M36-F51 HydrophobicContact SD-CG 4.44Å; S47-F51 WeakPolarHBondContact O-CB 3.47Å; S47-F51 WeakPolarHBondContact O-CD2 3.44Å; S47-F51 PolarHBondContact O-N 3.45Å; A48-F51 PolarHBondContact O-N 3.08Å; F51-A53 VanDerWaalsContact C-N 3.32Å; F51-A53 PolarHBondContact O-N 2.92Å; F51-G54 PolarHBondContact O-N 2.95Å; F51-G55 PolarHBondContact O-N 2.96Å; F51-F325 HydrophobicContact CD1-CB 4.39Å; F51-F325 HydrophobicContact CD1-CD2 4.07Å; F51-F325 HydrophobicContact CE1-CB 3.74Å; F51-F325 HydrophobicContact CE1-CD2 4.27Å; F51-F325 HydrophobicContact CG-CD2 4.46Å; F51-F325 HydrophobicContact CZ-CB 3.93Å; F51-I326 HydrophobicContact CE1-CD1 4.45Å; F51-I326 HydrophobicContact CE1-CG1 3.66Å; F51-I326 HydrophobicContact CZ-CG1 3.78Å; F51-Q473 HydrophobicContact CB-CB 4.37Å; F51-Q473 VanDerWaalsContact CB-O 3.29Å; F51-Q473 WeakPolarHBondContact CB-O 3.35Å; F51-Q473 WeakPolarHBondContact CD1-O 3.22Å; F51-Q473 WeakPolarHBondContact O-CB 3.31Å; F51-M476 HydrophobicContact CD1-CB 4.09Å; F51-M476 HydrophobicContact CE1-CB 4.14Å; F51-F486 HydrophobicContact CE2-CE1 4.04Å; F51-F486 HydrophobicContact CE2-CZ 4.42Å; F51-F486 AromaticContact CZ-CE1 3.86Å; F51-F486 HydrophobicContact CZ-CE1 3.86Å |
| 52 | L | 96.4 | Very high | 94.4 | Very high | 43 Ų | 43 | 33.1 Ų | 33.1 | 23% | 0.225 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58 | -44.6 | 172.7 | 178.3 | 70.8 | 0 | 0 | 0 | 111.7 | A48 Y49 L50 G55 L56 S470 F474 | A48-L52 WeakPolarHBondContact O-CB 3.27Å; A48-L52 PolarHBondContact O-N 3.38Å; Y49-L52 HydrophobicContact CD1-CD2 4.35Å; Y49-L52 WeakPolarHBondContact O-CB 3.5Å; L50-L52 VanDerWaalsContact C-N 3.26Å; L50-L52 PolarHBondContact O-N 2.94Å; L52-G55 PolarHBondContact O-N 3.19Å; L52-L56 HydrophobicContact CG-CD1 4.22Å; L52-L56 WeakPolarHBondContact O-CB 3.42Å; L52-L56 WeakPolarHBondContact O-CG 3.44Å; L52-L56 PolarHBondContact O-N 2.98Å; L52-S470 WeakPolarHBondContact CD1-OG 3.39Å; L52-F474 HydrophobicContact CB-CB 4.18Å; L52-F474 HydrophobicContact CB-CD2 3.96Å; L52-F474 HydrophobicContact CD1-CB 3.95Å; L52-F474 HydrophobicContact CD1-CD2 4.41Å; L52-F474 HydrophobicContact CD1-CG 4.44Å; L52-F474 HydrophobicContact CD2-CD2 4.4Å; L52-F474 HydrophobicContact CG-CD2 4.5Å |
| 53 | A | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.6 | -47.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | Y49 L50 F51 G55 L56 I57 W104 V105 V108 G109 | Y49-A53 PolarHBondContact O-N 3.31Å; Y49-A53 VanDerWaalsContact O-N 3.09Å; L50-A53 WeakPolarHBondContact O-CB 3.27Å; L50-A53 PolarHBondContact O-N 3.19Å; F51-A53 VanDerWaalsContact C-N 3.32Å; F51-A53 PolarHBondContact O-N 2.92Å; A53-G55 VanDerWaalsContact C-N 3.32Å; A53-G55 PolarHBondContact O-N 3.48Å; A53-L56 WeakPolarHBondContact O-CB 3.35Å; A53-L56 PolarHBondContact O-N 3.38Å; A53-L56 VanDerWaalsContact O-N 3.14Å; A53-I57 WeakPolarHBondContact O-CG1 3.05Å; A53-I57 PolarHBondContact O-N 3.21Å; A53-I57 VanDerWaalsContact O-N 3.11Å; A53-W104 HydrophobicContact CB-CE3 4.32Å; A53-W104 HydrophobicContact CB-CZ3 3.77Å; A53-V105 HydrophobicContact CB-CB 4.27Å; A53-V105 HydrophobicContact CB-CG1 4.04Å; A53-V105 HydrophobicContact CB-CG2 4.19Å; A53-V108 HydrophobicContact CB-CG1 4.5Å; A53-G109 VanDerWaalsContact O-CA 3.28Å; A53-G109 WeakPolarHBondContact O-CA 3.37Å |
| 54 | G | 94.3 | Very high | 94 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.5 | -42.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y32 L50 F51 L56 I57 Y58 | Y32-G54 VanDerWaalsContact CE1-CA 3.48Å; Y32-G54 VanDerWaalsContact CZ-CA 3.45Å; Y32-G54 PolarHBondContact OH-N 2.94Å; Y32-G54 VanDerWaalsContact OH-N 3.15Å; L50-G54 PolarHBondContact O-N 3.34Å; F51-G54 PolarHBondContact O-N 2.95Å; G54-L56 PolarHBondContact O-N 3.16Å; G54-I57 WeakPolarHBondContact O-CB 3.26Å; G54-I57 PolarHBondContact O-N 2.74Å; G54-Y58 WeakPolarHBondContact O-CD2 3.49Å |
| 55 | G | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.7 | -35.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F51 L52 A53 I57 Y58 T59 | F51-G55 PolarHBondContact O-N 2.96Å; L52-G55 PolarHBondContact O-N 3.19Å; A53-G55 VanDerWaalsContact C-N 3.32Å; A53-G55 PolarHBondContact O-N 3.48Å; G55-I57 VanDerWaalsContact C-N 3.31Å; G55-I57 PolarHBondContact O-N 3.11Å; G55-Y58 PolarHBondContact O-N 3.26Å; G55-T59 WeakPolarHBondContact O-CB 3.12Å; G55-T59 PolarHBondContact O-N 3.15Å; G55-T59 PolarHBondContact O-OG1 2.91Å |
| 56 | L | 95.3 | Very high | 93.1 | Very high | 48 Ų | 48 | 27.6 Ų | 27.6 | 25% | 0.251 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -64.6 | -33.6 | 175.2 | -79.8 | 171.1 | 0 | 0 | 0 | 112.4 | L52 A53 G54 Y58 T59 L60 V105 G109 | L52-L56 HydrophobicContact CG-CD1 4.22Å; L52-L56 WeakPolarHBondContact O-CB 3.42Å; L52-L56 WeakPolarHBondContact O-CG 3.44Å; L52-L56 PolarHBondContact O-N 2.98Å; A53-L56 WeakPolarHBondContact O-CB 3.35Å; A53-L56 PolarHBondContact O-N 3.38Å; A53-L56 VanDerWaalsContact O-N 3.14Å; G54-L56 PolarHBondContact O-N 3.16Å; L56-Y58 PolarHBondContact O-N 3.34Å; L56-T59 PolarHBondContact O-N 3.03Å; L56-L60 WeakPolarHBondContact O-CB 3.22Å; L56-L60 PolarHBondContact O-N 3.44Å; L56-V105 HydrophobicContact CD1-CG1 4.49Å; L56-G109 CarbonylContact C-O 3.48Å |
| 57 | I | 94.8 | Very high | 92.8 | Very high | 13 Ų | 13 | 28.2 Ų | 28.2 | 7% | 0.067 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -54.7 | -55.9 | 174.5 | -63.6 | 171.3 | 0 | 0 | 0 | 109.7 | Y32 A53 G54 G55 M61 V108 I112 G113 L116 | Y32-I57 HydrophobicContact CD2-CD1 4Å; Y32-I57 HydrophobicContact CE2-CD1 3.99Å; A53-I57 WeakPolarHBondContact O-CG1 3.05Å; A53-I57 PolarHBondContact O-N 3.21Å; A53-I57 VanDerWaalsContact O-N 3.11Å; G54-I57 WeakPolarHBondContact O-CB 3.26Å; G54-I57 PolarHBondContact O-N 2.74Å; G55-I57 VanDerWaalsContact C-N 3.31Å; G55-I57 PolarHBondContact O-N 3.11Å; I57-M61 VanDerWaalsContact O-CB 3.24Å; I57-M61 WeakPolarHBondContact O-CB 3.46Å; I57-M61 PolarHBondContact O-N 2.75Å; I57-V108 HydrophobicContact CD1-CG1 3.87Å; I57-V108 HydrophobicContact CG1-CG1 4.44Å; I57-I112 HydrophobicContact CD1-CG2 4.47Å; I57-I112 HydrophobicContact CG1-CB 4.4Å; I57-I112 HydrophobicContact CG2-CG2 4.34Å; I57-G113 VanDerWaalsContact O-CA 3.3Å; I57-G113 WeakPolarHBondContact O-CA 3.36Å; I57-L116 HydrophobicContact CG2-CD1 3.79Å |
| 58 | Y | 93.1 | Very high | 92.5 | Very high | 31 Ų | 31 | 28.7 Ų | 28.7 | 12% | 0.122 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.8 | -39.6 | -179.6 | -67.8 | -77.1 | 0 | 0 | 0 | 112.3 | G54 G55 L56 L60 M61 Y62 V321 F325 | G54-Y58 WeakPolarHBondContact O-CD2 3.49Å; G55-Y58 PolarHBondContact O-N 3.26Å; L56-Y58 PolarHBondContact O-N 3.34Å; Y58-L60 PolarHBondContact O-N 2.84Å; Y58-M61 HydrophobicContact CD1-CE 3.8Å; Y58-M61 HydrophobicContact CE1-CE 4.38Å; Y58-M61 WeakPolarHBondContact O-CB 3.35Å; Y58-M61 PolarHBondContact O-N 3.4Å; Y58-Y62 HydrophobicContact CD1-CE2 4.35Å; Y58-Y62 WeakPolarHBondContact O-CD2 3.41Å; Y58-Y62 PolarHBondContact O-N 3.3Å; Y58-V321 HydrophobicContact CD2-CG1 4.03Å; Y58-V321 HydrophobicContact CE2-CG1 3.88Å; Y58-F325 HydrophobicContact CD2-CZ 4.34Å; Y58-F325 AromaticContact CE2-CE1 3.99Å; Y58-F325 HydrophobicContact CE2-CE1 3.99Å; Y58-F325 AromaticContact CE2-CZ 3.79Å; Y58-F325 HydrophobicContact CE2-CZ 3.79Å |
| 59 | T | 94.6 | Very high | 92 | Very high | 15 Ų | 15 | 33.7 Ų | 33.7 | 9% | 0.092 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55 | -52.1 | 177.2 | -60.8 | 0 | 0 | 0 | 0 | 111 | G55 L56 Y62 C63 G466 S470 | G55-T59 WeakPolarHBondContact O-CB 3.12Å; G55-T59 PolarHBondContact O-N 3.15Å; G55-T59 PolarHBondContact O-OG1 2.91Å; L56-T59 PolarHBondContact O-N 3.03Å; T59-Y62 PolarHBondContact O-N 2.99Å; T59-C63 VanDerWaalsContact O-CB 3.24Å; T59-C63 WeakPolarHBondContact O-CB 3.32Å; T59-C63 PolarHBondContact O-N 3.31Å; T59-C63 PolarHBondContact O-SG 3.31Å; T59-G466 WeakPolarHBondContact CB-O 3.44Å; T59-G466 VanDerWaalsContact CG2-O 3.22Å; T59-G466 WeakPolarHBondContact CG2-O 3.46Å; T59-G466 PolarHBondContact OG1-O 3.37Å; T59-S470 WeakPolarHBondContact OG1-CB 3.37Å; T59-S470 PolarHBondContact OG1-N 3.3Å |
| 60 | L | 93.8 | Very high | 91.6 | Very high | 24 Ų | 24 | 32.4 Ų | 32.4 | 13% | 0.126 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -74.2 | -34.6 | -179.5 | -69 | 168.9 | 0 | 0 | 0 | 112.2 | L56 Y58 Y62 L64 F110 | L56-L60 WeakPolarHBondContact O-CB 3.22Å; L56-L60 PolarHBondContact O-N 3.44Å; Y58-L60 PolarHBondContact O-N 2.84Å; L60-Y62 PolarHBondContact O-N 3.43Å; L60-L64 HydrophobicContact CB-CD1 4.31Å; L60-L64 HydrophobicContact CD2-CD1 4.22Å; L60-L64 HydrophobicContact CD2-CG 4.38Å; L60-L64 VanDerWaalsContact O-CB 3.26Å; L60-L64 WeakPolarHBondContact O-CB 3.46Å; L60-L64 WeakPolarHBondContact O-CG 3.49Å; L60-L64 PolarHBondContact O-N 3.06Å; L60-F110 VanDerWaalsContact CD1-CA 3.43Å; L60-F110 HydrophobicContact CD1-CB 4.05Å; L60-F110 HydrophobicContact CD1-CD2 3.53Å; L60-F110 HydrophobicContact CD1-CE2 4.18Å; L60-F110 HydrophobicContact CD1-CG 3.92Å; L60-F110 HydrophobicContact CD2-CD2 4.41Å; L60-F110 HydrophobicContact CD2-CE2 4.36Å |
| 61 | M | 92.3 | Very high | 91.4 | Very high | 12 Ų | 12 | 35.8 Ų | 35.8 | 6% | 0.059 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -51.9 | -48.2 | 172 | -173 | -179.8 | 74.3 | 0 | 0 | 110.5 | I57 Y58 G113 L116 S117 Y120 F121 | I57-M61 VanDerWaalsContact O-CB 3.24Å; I57-M61 WeakPolarHBondContact O-CB 3.46Å; I57-M61 PolarHBondContact O-N 2.75Å; Y58-M61 HydrophobicContact CD1-CE 3.8Å; Y58-M61 HydrophobicContact CE1-CE 4.38Å; Y58-M61 WeakPolarHBondContact O-CB 3.35Å; Y58-M61 PolarHBondContact O-N 3.4Å; M61-G113 PolarHBondContact N-O 3.03Å; M61-L116 HydrophobicContact CG-CB 4.3Å; M61-L116 HydrophobicContact SD-CB 4.3Å; M61-S117 WeakPolarHBondContact O-CB 3.46Å; M61-S117 PolarHBondContact O-OG 3.23Å; M61-Y120 HydrophobicContact SD-CG 4.47Å; M61-F121 HydrophobicContact CG-CE2 4.32Å; M61-F121 VanDerWaalsContact O-CE2 3.29Å; M61-F121 WeakPolarHBondContact O-CE2 3.29Å |
| 62 | Y | 90.9 | Very high | 91 | Very high | 24 Ų | 24 | 36.8 Ų | 36.8 | 9% | 0.094 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -80 | -47.4 | -178.4 | -62.5 | -46.2 | 0 | 0 | 0 | 114.2 | Y58 T59 L60 L64 S65 F121 M462 L465 I469 | Y58-Y62 HydrophobicContact CD1-CE2 4.35Å; Y58-Y62 WeakPolarHBondContact O-CD2 3.41Å; Y58-Y62 PolarHBondContact O-N 3.3Å; T59-Y62 PolarHBondContact O-N 2.99Å; L60-Y62 PolarHBondContact O-N 3.43Å; Y62-L64 VanDerWaalsContact C-N 3.33Å; Y62-L64 PolarHBondContact O-N 3.27Å; Y62-S65 WeakPolarHBondContact O-CB 3.42Å; Y62-S65 PolarHBondContact O-N 3.11Å; Y62-S65 PolarHBondContact O-OG 2.77Å; Y62-F121 HydrophobicContact CD1-CE2 4.1Å; Y62-F121 AromaticContact CD1-CZ 3.86Å; Y62-F121 HydrophobicContact CD1-CZ 3.86Å; Y62-F121 HydrophobicContact CE1-CZ 4.29Å; Y62-M462 VanDerWaalsContact CB-O 3.29Å; Y62-M462 WeakPolarHBondContact CB-O 3.43Å; Y62-M462 HydrophobicContact CD1-CB 4.45Å; Y62-M462 HydrophobicContact CD1-CG 4.38Å; Y62-M462 HydrophobicContact CD1-SD 3.78Å; Y62-M462 HydrophobicContact CE1-SD 3.93Å; Y62-L465 HydrophobicContact CD2-CD2 3.86Å; Y62-L465 HydrophobicContact CD2-CG 4.07Å; Y62-L465 HydrophobicContact CE2-CD2 3.59Å; Y62-L465 HydrophobicContact CE2-CG 4.1Å; Y62-L465 HydrophobicContact CG-CD2 4.46Å; Y62-I469 HydrophobicContact CD2-CD1 3.84Å; Y62-I469 HydrophobicContact CE2-CD1 3.5Å; Y62-I469 VanDerWaalsContact CE2-CD1 3.5Å |
| 63 | C | 90.3 | Very high | 90.5 | Very high | 30 Ų | 30 | 43 Ų | 43 | 20% | 0.203 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.3 | -35.5 | -176.6 | -71.1 | 0 | 0 | 0 | 0 | 112.6 | T59 S65 | T59-C63 VanDerWaalsContact O-CB 3.24Å; T59-C63 WeakPolarHBondContact O-CB 3.32Å; T59-C63 PolarHBondContact O-N 3.31Å; T59-C63 PolarHBondContact O-SG 3.31Å; C63-S65 VanDerWaalsContact C-N 3.28Å; C63-S65 PolarHBondContact O-N 3.44Å |
| 64 | L | 90.2 | Very high | 90.3 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 29% | 0.293 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -0.8 | 179.1 | -59.1 | 179 | 0 | 0 | 0 | 113.5 | L60 Y62 L66 A67 N68 A114 | L60-L64 HydrophobicContact CB-CD1 4.31Å; L60-L64 HydrophobicContact CD2-CD1 4.22Å; L60-L64 HydrophobicContact CD2-CG 4.38Å; L60-L64 VanDerWaalsContact O-CB 3.26Å; L60-L64 WeakPolarHBondContact O-CB 3.46Å; L60-L64 WeakPolarHBondContact O-CG 3.49Å; L60-L64 PolarHBondContact O-N 3.06Å; Y62-L64 VanDerWaalsContact C-N 3.33Å; Y62-L64 PolarHBondContact O-N 3.27Å; L64-L66 VanDerWaalsContact C-N 3.34Å; L64-L66 PolarHBondContact O-N 3.42Å; L64-A67 PolarHBondContact O-N 3.34Å; L64-N68 WeakPolarHBondContact O-CB 3.11Å; L64-N68 PolarHBondContact O-N 3.16Å; L64-A114 HydrophobicContact CD1-CB 3.98Å |
| 65 | S | 85.1 | Confident | 90.1 | Very high | 13 Ų | 13 | 59.4 Ų | 59.4 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.7 | -43.9 | -178.8 | 63.5 | 0 | 0 | 0 | 0 | 112.8 | Y62 C63 N68 H69 S117 | Y62-S65 WeakPolarHBondContact O-CB 3.42Å; Y62-S65 PolarHBondContact O-N 3.11Å; Y62-S65 PolarHBondContact O-OG 2.77Å; C63-S65 VanDerWaalsContact C-N 3.28Å; C63-S65 PolarHBondContact O-N 3.44Å; S65-N68 PolarHBondContact O-N 3.09Å; S65-H69 PolarHBondContact O-N 3.25Å; S65-S117 PolarHBondContact N-OG 2.67Å |
| 66 | L | 83.8 | Confident | 89.8 | Confident | 100 Ų | 100 | 61 Ų | 61 | 52% | 0.524 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 178.6 | -178.1 | 63.4 | 0 | 0 | 0 | 111.8 | L64 N68 H69 L70 | L64-L66 VanDerWaalsContact C-N 3.34Å; L64-L66 PolarHBondContact O-N 3.42Å; L66-N68 VanDerWaalsContact C-N 3.32Å; L66-N68 PolarHBondContact O-N 2.86Å; L66-H69 WeakPolarHBondContact O-CB 3.29Å; L66-H69 PolarHBondContact O-N 3.41Å; L66-L70 WeakPolarHBondContact O-CG 3.31Å; L66-L70 PolarHBondContact O-N 3.33Å |
| 67 | A | 87.8 | Confident | 89.6 | Confident | 43 Ų | 43 | 59.8 Ų | 59.8 | 36% | 0.355 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L64 H69 L70 I71 | L64-A67 PolarHBondContact O-N 3.34Å; A67-H69 VanDerWaalsContact C-N 3.32Å; A67-H69 PolarHBondContact O-N 3.43Å; A67-L70 PolarHBondContact O-N 2.96Å; A67-L70 VanDerWaalsContact O-N 3.17Å; A67-I71 VanDerWaalsContact O-CG1 3.25Å; A67-I71 WeakPolarHBondContact O-CG1 3.36Å; A67-I71 PolarHBondContact O-N 3.03Å |
| 68 | N | 86.5 | Confident | 89.5 | Confident | 13 Ų | 13 | 61.8 Ų | 61.8 | 7% | 0.07 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.6 | -32.7 | 178.2 | -77.6 | -23.3 | 0 | 0 | 0 | 113.3 | L64 S65 L66 I71 S72 S117 C118 | L64-N68 WeakPolarHBondContact O-CB 3.11Å; L64-N68 PolarHBondContact O-N 3.16Å; S65-N68 PolarHBondContact O-N 3.09Å; L66-N68 VanDerWaalsContact C-N 3.32Å; L66-N68 PolarHBondContact O-N 2.86Å; N68-I71 PolarHBondContact O-N 2.77Å; N68-S72 VanDerWaalsContact O-CB 3.22Å; N68-S72 WeakPolarHBondContact O-CB 3.4Å; N68-S72 PolarHBondContact O-N 3.39Å; N68-S72 PolarHBondContact O-OG 2.81Å; N68-S117 WeakPolarHBondContact ND2-CB 3.26Å; N68-S117 PolarHBondContact ND2-O 3.16Å; N68-S117 PolarHBondContact ND2-OG 3.25Å; N68-C118 PolarHBondContact ND2-N 3.48Å; N68-C118 VanDerWaalsContact ND2-N 3.2Å |
| 69 | H | 84.2 | Confident | 89.6 | Confident | 109 Ų | 109 | 63.3 Ų | 63.3 | 51% | 0.505 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.7 | -47 | 171.2 | 178.1 | 75.7 | 0 | 0 | 0 | 111.6 | S65 L66 A67 S72 K73 | S65-H69 PolarHBondContact O-N 3.25Å; L66-H69 WeakPolarHBondContact O-CB 3.29Å; L66-H69 PolarHBondContact O-N 3.41Å; A67-H69 VanDerWaalsContact C-N 3.32Å; A67-H69 PolarHBondContact O-N 3.43Å; H69-S72 PolarHBondContact O-N 2.65Å; H69-K73 PolarHBondContact O-N 3.14Å |
| 70 | L | 87.6 | Confident | 89.6 | Confident | 107 Ų | 107 | 63 Ų | 63 | 56% | 0.56 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.8 | -42.4 | 178.3 | -63.2 | 175.2 | 0 | 0 | 0 | 112.1 | L66 A67 K73 R74 | L66-L70 WeakPolarHBondContact O-CG 3.31Å; L66-L70 PolarHBondContact O-N 3.33Å; A67-L70 PolarHBondContact O-N 2.96Å; A67-L70 VanDerWaalsContact O-N 3.17Å; L70-K73 PolarHBondContact O-N 3.27Å; L70-R74 PolarHBondContact O-N 3.11Å; L70-R74 VanDerWaalsContact O-N 3.16Å |
| 71 | I | 90.7 | Very high | 89.7 | Confident | 70 Ų | 70 | 61.9 Ų | 61.9 | 36% | 0.359 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 177 | -65.5 | 166.4 | 0 | 0 | 0 | 110.2 | A67 N68 K73 R74 Y75 V80 | A67-I71 VanDerWaalsContact O-CG1 3.25Å; A67-I71 WeakPolarHBondContact O-CG1 3.36Å; A67-I71 PolarHBondContact O-N 3.03Å; N68-I71 PolarHBondContact O-N 2.77Å; I71-K73 VanDerWaalsContact C-N 3.3Å; I71-K73 PolarHBondContact O-N 2.89Å; I71-R74 PolarHBondContact O-N 3.16Å; I71-Y75 HydrophobicContact CG2-CD2 3.75Å; I71-Y75 HydrophobicContact CG2-CE2 4.35Å; I71-Y75 WeakPolarHBondContact O-CD2 3.25Å; I71-Y75 PolarHBondContact O-N 3.2Å; I71-V80 HydrophobicContact CG2-CG2 3.7Å |
| 72 | S | 87.4 | Confident | 89.9 | Confident | 21 Ų | 21 | 65.3 Ų | 65.3 | 15% | 0.147 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.2 | -36.1 | 178.5 | -62.6 | 0 | 0 | 0 | 0 | 112.2 | N68 H69 R74 G76 | N68-S72 VanDerWaalsContact O-CB 3.22Å; N68-S72 WeakPolarHBondContact O-CB 3.4Å; N68-S72 PolarHBondContact O-N 3.39Å; N68-S72 PolarHBondContact O-OG 2.81Å; H69-S72 PolarHBondContact O-N 2.65Å; S72-R74 VanDerWaalsContact C-N 3.3Å; S72-R74 PolarHBondContact O-N 3.35Å; S72-G76 CarbonylContact O-C 3.52Å; S72-G76 WeakPolarHBondContact O-CA 3.47Å; S72-G76 PolarHBondContact O-N 2.86Å |
| 73 | K | 86.5 | Confident | 90.1 | Very high | 173 Ų | 173 | 68.8 Ų | 68.8 | 75% | 0.752 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.5 | -33.7 | 174.1 | -171.6 | 176.2 | 179.9 | 178.7 | 0 | 112.1 | H69 L70 I71 | H69-K73 PolarHBondContact O-N 3.14Å; L70-K73 PolarHBondContact O-N 3.27Å; I71-K73 VanDerWaalsContact C-N 3.3Å; I71-K73 PolarHBondContact O-N 2.89Å |
| 74 | R | 90.9 | Very high | 90.4 | Very high | 200 Ų | 200 | 67.4 Ų | 67.4 | 76% | 0.755 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -83.9 | -46.3 | -177.3 | -166.5 | 176.3 | -151.2 | -166.1 | 6.5 | 113.6 | L70 I71 S72 | L70-R74 PolarHBondContact O-N 3.11Å; L70-R74 VanDerWaalsContact O-N 3.16Å; I71-R74 PolarHBondContact O-N 3.16Å; S72-R74 VanDerWaalsContact C-N 3.3Å; S72-R74 PolarHBondContact O-N 3.35Å |
| 75 | Y | 90.2 | Very high | 90.8 | Very high | 145 Ų | 145 | 64.8 Ų | 64.8 | 57% | 0.569 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -103.2 | -7 | -173.1 | -61.8 | -75.9 | 0 | 0 | 0 | 113.4 | I71 | I71-Y75 HydrophobicContact CG2-CD2 3.75Å; I71-Y75 HydrophobicContact CG2-CE2 4.35Å; I71-Y75 WeakPolarHBondContact O-CD2 3.25Å; I71-Y75 PolarHBondContact O-N 3.2Å |
| 76 | G | 90 | Very high | 91.3 | Very high | 33 Ų | 33 | 68.6 Ų | 68.6 | 34% | 0.34 | 34% | 0.343 | S | S | . | . | trans | 84.8 | 163.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S72 V80 | S72-G76 CarbonylContact O-C 3.52Å; S72-G76 WeakPolarHBondContact O-CA 3.47Å; S72-G76 PolarHBondContact O-N 2.86Å; G76-V80 WeakPolarHBondContact O-CG2 3.47Å | ||
| 77 | S | 90.6 | Very high | 92 | Very high | 23 Ų | 23 | 64.8 Ų | 64.8 | 16% | 0.161 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71.9 | -39 | -176 | 50 | 0 | 0 | 0 | 0 | 113.7 | V80 V81 V126 | S77-V80 PolarHBondContact O-N 3.47Å; S77-V81 WeakPolarHBondContact O-CG2 3.45Å; S77-V81 PolarHBondContact O-N 3.36Å; S77-V126 VanDerWaalsContact CB-CG2 3.41Å |
| 78 | R | 93.8 | Very high | 92.4 | Very high | 56 Ų | 56 | 62.8 Ų | 62.8 | 21% | 0.211 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.7 | -51.7 | -175.5 | -64.8 | 179.2 | 163.9 | -175.5 | -7 | 113.9 | M1 V80 V81 M82 A184 M187 | M1-R78 VanDerWaalsContact C-NH2 3.33Å; M1-R78 PolarHBondContact O-NH2 3.29Å; R78-V80 PolarHBondContact O-N 3.35Å; R78-V81 PolarHBondContact O-N 3.07Å; R78-M82 VanDerWaalsContact O-CG 3.31Å; R78-M82 WeakPolarHBondContact O-CG 3.18Å; R78-M82 PolarHBondContact O-N 3.46Å; R78-A184 WeakPolarHBondContact CG-O 3.35Å; R78-M187 HydrophobicContact CG-CB 4.02Å; R78-M187 PolarHBondContact NE-O 3.39Å; R78-M187 PolarHBondContact NH2-O 3.15Å |
| 79 | P | 94.6 | Very high | 92.9 | Very high | 63 Ų | 63 | 64.6 Ų | 64.6 | 41% | 0.409 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.6 | -36.1 | -179.5 | -23 | 36.7 | 0 | 0 | 0 | 111.8 | M82 V83 | P79-M82 PolarHBondContact O-N 3.13Å; P79-V83 VanDerWaalsContact O-CG2 3.31Å; P79-V83 WeakPolarHBondContact O-CG2 3.39Å; P79-V83 PolarHBondContact O-N 3.4Å |
| 80 | V | 94.7 | Very high | 93.6 | Very high | 8 Ų | 8 | 63.7 Ų | 63.7 | 5% | 0.048 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 177.7 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | I71 G76 S77 R78 M82 V83 G84 C118 | I71-V80 HydrophobicContact CG2-CG2 3.7Å; G76-V80 WeakPolarHBondContact O-CG2 3.47Å; S77-V80 PolarHBondContact O-N 3.47Å; R78-V80 PolarHBondContact O-N 3.35Å; V80-M82 PolarHBondContact O-N 3.21Å; V80-V83 PolarHBondContact O-N 3.11Å; V80-G84 PolarHBondContact O-N 3.19Å; V80-C118 HydrophobicContact CG1-CB 3.92Å |
| 81 | V | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.3 | -37.2 | 176.3 | 178.4 | 0 | 0 | 0 | 0 | 111.7 | S77 R78 G84 A85 I119 T122 T183 A184 M187 | S77-V81 WeakPolarHBondContact O-CG2 3.45Å; S77-V81 PolarHBondContact O-N 3.36Å; R78-V81 PolarHBondContact O-N 3.07Å; V81-G84 PolarHBondContact O-N 3.02Å; V81-A85 WeakPolarHBondContact O-CB 3.36Å; V81-A85 PolarHBondContact O-N 3Å; V81-I119 HydrophobicContact CG1-CG1 4.3Å; V81-T122 HydrophobicContact CG2-CG2 3.65Å; V81-T183 HydrophobicContact CG1-CG2 4.25Å; V81-A184 HydrophobicContact CB-CB 4.06Å; V81-A184 HydrophobicContact CG1-CB 3.85Å; V81-M187 HydrophobicContact CB-SD 4.48Å; V81-M187 HydrophobicContact CG2-CE 3.66Å; V81-M187 HydrophobicContact CG2-SD 3.71Å |
| 82 | M | 96.4 | Very high | 94.4 | Very high | 85 Ų | 85 | 56.7 Ų | 56.7 | 42% | 0.419 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 174.9 | -69.3 | 175.1 | 71.7 | 0 | 0 | 111.7 | R78 P79 V80 G84 A85 F86 L181 A184 | R78-M82 VanDerWaalsContact O-CG 3.31Å; R78-M82 WeakPolarHBondContact O-CG 3.18Å; R78-M82 PolarHBondContact O-N 3.46Å; P79-M82 PolarHBondContact O-N 3.13Å; V80-M82 PolarHBondContact O-N 3.21Å; M82-G84 VanDerWaalsContact C-N 3.31Å; M82-G84 PolarHBondContact O-N 2.99Å; M82-A85 PolarHBondContact O-N 3.41Å; M82-F86 VanDerWaalsContact O-CD2 3.22Å; M82-F86 WeakPolarHBondContact O-CD2 3.19Å; M82-F86 PolarHBondContact O-N 3.24Å; M82-L181 HydrophobicContact CB-CD2 4.33Å; M82-L181 HydrophobicContact CG-CD2 4.23Å; M82-A184 HydrophobicContact CG-CB 3.56Å |
| 83 | V | 96.1 | Very high | 94.8 | Very high | 97 Ų | 97 | 58.5 Ų | 58.5 | 59% | 0.588 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.9 | -42.2 | 174.6 | 170 | 0 | 0 | 0 | 0 | 110.6 | P79 V80 G87 | P79-V83 VanDerWaalsContact O-CG2 3.31Å; P79-V83 WeakPolarHBondContact O-CG2 3.39Å; P79-V83 PolarHBondContact O-N 3.4Å; V80-V83 PolarHBondContact O-N 3.11Å; V83-G87 WeakPolarHBondContact O-CA 3.12Å; V83-G87 PolarHBondContact O-N 2.89Å |
| 84 | G | 96.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V80 V81 M82 G87 S88 S115 | V80-G84 PolarHBondContact O-N 3.19Å; V81-G84 PolarHBondContact O-N 3.02Å; M82-G84 VanDerWaalsContact C-N 3.31Å; M82-G84 PolarHBondContact O-N 2.99Å; G84-G87 PolarHBondContact O-N 3.21Å; G84-S88 PolarHBondContact O-N 3.23Å; G84-S88 PolarHBondContact O-OG 3.43Å; G84-S115 WeakPolarHBondContact O-CB 3.26Å |
| 85 | A | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.4 | -43.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V81 M82 S88 F89 L180 L181 | V81-A85 WeakPolarHBondContact O-CB 3.36Å; V81-A85 PolarHBondContact O-N 3Å; M82-A85 PolarHBondContact O-N 3.41Å; A85-S88 PolarHBondContact O-OG 3.48Å; A85-F89 PolarHBondContact O-N 3.09Å; A85-L180 HydrophobicContact CB-CB 3.65Å; A85-L181 HydrophobicContact CB-CD2 3.76Å; A85-L181 HydrophobicContact CB-CG 3.97Å |
| 86 | F | 97.5 | Very high | 96 | Very high | 94 Ų | 94 | 37.4 Ų | 37.4 | 41% | 0.412 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.1 | -38.8 | 173.2 | -76.1 | -64.6 | 0 | 0 | 0 | 111.6 | M82 S88 F89 I90 L178 L181 | M82-F86 VanDerWaalsContact O-CD2 3.22Å; M82-F86 WeakPolarHBondContact O-CD2 3.19Å; M82-F86 PolarHBondContact O-N 3.24Å; F86-S88 PolarHBondContact O-N 3.32Å; F86-F89 PolarHBondContact O-N 3.1Å; F86-I90 WeakPolarHBondContact O-CB 3.08Å; F86-I90 VanDerWaalsContact O-CG1 3.26Å; F86-I90 WeakPolarHBondContact O-CG1 3.24Å; F86-I90 PolarHBondContact O-N 3.42Å; F86-L178 HydrophobicContact CD1-CD2 4.11Å; F86-L178 HydrophobicContact CE1-CD2 4.2Å; F86-L181 HydrophobicContact CD2-CD2 4.13Å; F86-L181 HydrophobicContact CE1-CD1 4.14Å; F86-L181 HydrophobicContact CE2-CD1 4.38Å; F86-L181 HydrophobicContact CE2-CD2 3.74Å; F86-L181 HydrophobicContact CZ-CD1 3.88Å; F86-L181 HydrophobicContact CZ-CD2 4.09Å |
| 87 | G | 97.2 | Very high | 96.3 | Very high | 19 Ų | 19 | 39.7 Ų | 39.7 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.1 | -45.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | V83 G84 I90 S91 S115 | V83-G87 WeakPolarHBondContact O-CA 3.12Å; V83-G87 PolarHBondContact O-N 2.89Å; G84-G87 PolarHBondContact O-N 3.21Å; G87-I90 PolarHBondContact O-N 3.31Å; G87-S91 WeakPolarHBondContact O-CB 3.42Å; G87-S91 PolarHBondContact O-N 2.93Å; G87-S91 PolarHBondContact O-OG 3.33Å; G87-S115 WeakPolarHBondContact CA-OG 3.27Å |
| 88 | S | 96.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.2 | -40.5 | 179.3 | 60.4 | 0 | 0 | 0 | 0 | 112.1 | G84 A85 F86 L92 I112 S115 | G84-S88 PolarHBondContact O-N 3.23Å; G84-S88 PolarHBondContact O-OG 3.43Å; A85-S88 PolarHBondContact O-OG 3.48Å; F86-S88 PolarHBondContact O-N 3.32Å; S88-L92 WeakPolarHBondContact O-CB 3.47Å; S88-L92 PolarHBondContact O-N 3.44Å; S88-I112 WeakPolarHBondContact O-CD1 3.44Å; S88-S115 PolarHBondContact N-OG 3.46Å; S88-S115 VanDerWaalsContact N-OG 3.09Å |
| 89 | F | 97.7 | Very high | 96.5 | Very high | 51 Ų | 51 | 40.5 Ų | 40.5 | 22% | 0.224 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.7 | -54.1 | 172.2 | 166.9 | -110.8 | 0 | 0 | 0 | 112 | A85 F86 S91 L92 L93 A174 L178 | A85-F89 PolarHBondContact O-N 3.09Å; F86-F89 PolarHBondContact O-N 3.1Å; F89-S91 VanDerWaalsContact C-N 3.33Å; F89-S91 PolarHBondContact O-N 2.86Å; F89-L92 PolarHBondContact O-N 3.2Å; F89-L93 HydrophobicContact CE1-CD2 4.33Å; F89-L93 HydrophobicContact CZ-CD2 3.98Å; F89-L93 VanDerWaalsContact O-CB 3.25Å; F89-L93 WeakPolarHBondContact O-CB 3.1Å; F89-L93 PolarHBondContact O-N 2.81Å; F89-A174 HydrophobicContact CD2-CB 3.95Å; F89-A174 WeakPolarHBondContact CD2-O 3.48Å; F89-A174 HydrophobicContact CE2-CB 4.28Å; F89-L178 HydrophobicContact CB-CD2 3.7Å; F89-L178 HydrophobicContact CB-CG 3.96Å; F89-L178 HydrophobicContact CD1-CD2 3.98Å; F89-L178 HydrophobicContact CD1-CG 4.41Å; F89-L178 HydrophobicContact CD2-CD1 3.88Å; F89-L178 HydrophobicContact CD2-CD2 4.22Å; F89-L178 HydrophobicContact CD2-CG 3.78Å; F89-L178 HydrophobicContact CE2-CD1 3.98Å; F89-L178 HydrophobicContact CE2-CG 4.39Å; F89-L178 HydrophobicContact CG-CD1 4.15Å; F89-L178 HydrophobicContact CG-CD2 3.69Å; F89-L178 HydrophobicContact CG-CG 3.78Å; F89-L178 HydrophobicContact CZ-CD1 4.34Å |
| 90 | I | 98 | Very high | 96.5 | Very high | 89 Ų | 89 | 41.2 Ų | 41.2 | 46% | 0.456 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.5 | -43.1 | -178.2 | -67.6 | 165.7 | 0 | 0 | 0 | 110.4 | F86 G87 L93 I94 | F86-I90 WeakPolarHBondContact O-CB 3.08Å; F86-I90 VanDerWaalsContact O-CG1 3.26Å; F86-I90 WeakPolarHBondContact O-CG1 3.24Å; F86-I90 PolarHBondContact O-N 3.42Å; G87-I90 PolarHBondContact O-N 3.31Å; I90-L93 PolarHBondContact O-N 3.18Å; I90-I94 HydrophobicContact CG2-CD1 3.7Å; I90-I94 HydrophobicContact CG2-CG1 4.35Å; I90-I94 VanDerWaalsContact O-CG1 3.26Å; I90-I94 WeakPolarHBondContact O-CG1 3.18Å; I90-I94 PolarHBondContact O-N 3.44Å |
| 91 | S | 97.8 | Very high | 96.5 | Very high | 15 Ų | 15 | 42.3 Ų | 42.3 | 11% | 0.105 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.9 | -47 | -179.8 | -62 | 0 | 0 | 0 | 0 | 111.7 | G87 F89 L93 I94 A95 A107 G111 | G87-S91 WeakPolarHBondContact O-CB 3.42Å; G87-S91 PolarHBondContact O-N 2.93Å; G87-S91 PolarHBondContact O-OG 3.33Å; F89-S91 VanDerWaalsContact C-N 3.33Å; F89-S91 PolarHBondContact O-N 2.86Å; S91-L93 VanDerWaalsContact C-N 3.35Å; S91-I94 PolarHBondContact O-N 2.97Å; S91-A95 WeakPolarHBondContact O-CB 3.37Å; S91-A95 PolarHBondContact O-N 3.24Å; S91-A107 WeakPolarHBondContact CB-O 3.49Å; S91-G111 WeakPolarHBondContact OG-CA 3.42Å; S91-G111 PolarHBondContact OG-O 3.11Å |
| 92 | L | 96.5 | Very high | 96.5 | Very high | 15 Ų | 15 | 45.6 Ų | 45.6 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -72.2 | -31 | 179.8 | -163 | 53.9 | 0 | 0 | 0 | 112 | S88 F89 A95 S96 I112 M173 A174 | S88-L92 WeakPolarHBondContact O-CB 3.47Å; S88-L92 PolarHBondContact O-N 3.44Å; F89-L92 PolarHBondContact O-N 3.2Å; L92-A95 HydrophobicContact CD1-CB 4.46Å; L92-A95 PolarHBondContact O-N 3.47Å; L92-S96 WeakPolarHBondContact O-CB 3.37Å; L92-S96 PolarHBondContact O-N 3.07Å; L92-S96 PolarHBondContact O-OG 3.41Å; L92-I112 HydrophobicContact CB-CD1 4.05Å; L92-M173 HydrophobicContact CD2-CB 3.68Å; L92-A174 HydrophobicContact CB-CB 3.82Å; L92-A174 HydrophobicContact CD2-CB 4.4Å; L92-A174 HydrophobicContact CG-CB 4.11Å |
| 93 | L | 97.6 | Very high | 96.6 | Very high | 59 Ų | 59 | 45 Ų | 45 | 31% | 0.309 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 172.7 | -174.5 | 65.5 | 0 | 0 | 0 | 111.5 | F89 I90 S91 A95 S96 C97 V171 A174 | F89-L93 HydrophobicContact CE1-CD2 4.33Å; F89-L93 HydrophobicContact CZ-CD2 3.98Å; F89-L93 VanDerWaalsContact O-CB 3.25Å; F89-L93 WeakPolarHBondContact O-CB 3.1Å; F89-L93 PolarHBondContact O-N 2.81Å; I90-L93 PolarHBondContact O-N 3.18Å; S91-L93 VanDerWaalsContact C-N 3.35Å; L93-A95 VanDerWaalsContact C-N 3.35Å; L93-S96 PolarHBondContact O-N 3.11Å; L93-C97 PolarHBondContact O-N 3.06Å; L93-C97 VanDerWaalsContact O-N 3.11Å; L93-V171 HydrophobicContact CD1-CG1 4.2Å; L93-V171 HydrophobicContact CD1-CG2 4.16Å; L93-A174 HydrophobicContact CB-CB 4.25Å |
| 94 | I | 97.7 | Very high | 96.6 | Very high | 75 Ų | 75 | 40.4 Ų | 40.4 | 39% | 0.385 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 174.9 | -68.6 | 168.1 | 0 | 0 | 0 | 110.3 | I90 S91 S96 C97 S98 L103 A107 | I90-I94 HydrophobicContact CG2-CD1 3.7Å; I90-I94 HydrophobicContact CG2-CG1 4.35Å; I90-I94 VanDerWaalsContact O-CG1 3.26Å; I90-I94 WeakPolarHBondContact O-CG1 3.18Å; I90-I94 PolarHBondContact O-N 3.44Å; S91-I94 PolarHBondContact O-N 2.97Å; I94-S96 VanDerWaalsContact C-N 3.32Å; I94-S96 PolarHBondContact O-N 3.17Å; I94-C97 CarbonylContact O-C 3.55Å; I94-C97 PolarHBondContact O-N 2.94Å; I94-S98 WeakPolarHBondContact O-CB 3.44Å; I94-S98 PolarHBondContact O-N 2.87Å; I94-L103 HydrophobicContact CG2-CD1 4.08Å; I94-L103 HydrophobicContact CG2-CD2 4.18Å; I94-L103 HydrophobicContact CG2-CG 4.08Å; I94-A107 HydrophobicContact CB-CB 4.19Å; I94-A107 HydrophobicContact CG2-CB 3.83Å |
| 95 | A | 97.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.2 | -45.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S91 L92 L93 C97 S98 W104 A107 V108 | S91-A95 WeakPolarHBondContact O-CB 3.37Å; S91-A95 PolarHBondContact O-N 3.24Å; L92-A95 HydrophobicContact CD1-CB 4.46Å; L92-A95 PolarHBondContact O-N 3.47Å; L93-A95 VanDerWaalsContact C-N 3.35Å; A95-C97 VanDerWaalsContact C-N 3.29Å; A95-C97 PolarHBondContact O-N 2.6Å; A95-S98 WeakPolarHBondContact O-CB 3.37Å; A95-S98 PolarHBondContact O-N 3.19Å; A95-S98 VanDerWaalsContact O-N 3.14Å; A95-S98 PolarHBondContact O-OG 3.34Å; A95-W104 VanDerWaalsContact O-CD1 3.29Å; A95-A107 HydrophobicContact CB-CB 4.01Å; A95-V108 HydrophobicContact CB-CG2 3.44Å; A95-V108 VanDerWaalsContact CB-CG2 3.44Å |
| 96 | S | 96.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.6 | -33.9 | -179.7 | -56 | 0 | 0 | 0 | 0 | 113.5 | L92 L93 I94 R167 G170 V171 | L92-S96 WeakPolarHBondContact O-CB 3.37Å; L92-S96 PolarHBondContact O-N 3.07Å; L92-S96 PolarHBondContact O-OG 3.41Å; L93-S96 PolarHBondContact O-N 3.11Å; I94-S96 VanDerWaalsContact C-N 3.32Å; I94-S96 PolarHBondContact O-N 3.17Å; S96-R167 WeakPolarHBondContact O-CB 3.36Å; S96-R167 WeakPolarHBondContact O-CG 3.46Å; S96-G170 WeakPolarHBondContact OG-CA 3.47Å; S96-G170 PolarHBondContact OG-O 2.7Å; S96-V171 PolarHBondContact OG-N 2.94Å |
| 97 | C | 96 | Very high | 96.6 | Very high | 80 Ų | 80 | 41.2 Ų | 41.2 | 54% | 0.541 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -93.8 | 1.6 | 178.5 | -64.3 | 0 | 0 | 0 | 0 | 113.4 | L93 I94 A95 | L93-C97 PolarHBondContact O-N 3.06Å; L93-C97 VanDerWaalsContact O-N 3.11Å; I94-C97 CarbonylContact O-C 3.55Å; I94-C97 PolarHBondContact O-N 2.94Å; A95-C97 VanDerWaalsContact C-N 3.29Å; A95-C97 PolarHBondContact O-N 2.6Å |
| 98 | S | 95.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -65.7 | 137 | -171.9 | 61.8 | 0 | 0 | 0 | 0 | 112.2 | F43 I94 A95 W104 R167 | F43-S98 WeakPolarHBondContact CZ-OG 3.45Å; I94-S98 WeakPolarHBondContact O-CB 3.44Å; I94-S98 PolarHBondContact O-N 2.87Å; A95-S98 WeakPolarHBondContact O-CB 3.37Å; A95-S98 PolarHBondContact O-N 3.19Å; A95-S98 VanDerWaalsContact O-N 3.14Å; A95-S98 PolarHBondContact O-OG 3.34Å; S98-W104 WeakPolarHBondContact OG-CB 3.26Å; S98-R167 PolarHBondContact O-NH1 3.33Å; S98-R167 PolarHBondContact O-NH2 3.18Å | ||
| 99 | P | 94.5 | Very high | 96.4 | Very high | 96 Ų | 96 | 40.5 Ų | 40.5 | 62% | 0.623 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -89.1 | -17.8 | 179.2 | 33.4 | -32.7 | 0 | 0 | 0 | 112.8 | ||
| 100 | N | 94.6 | Very high | 96.3 | Very high | 78 Ų | 78 | 43.9 Ų | 43.9 | 42% | 0.417 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -140.2 | 157.1 | -178.3 | 60.8 | 58.6 | 0 | 0 | 0 | 111.2 | A102 L103 W104 | N100-A102 VanDerWaalsContact C-N 3.3Å; N100-A102 PolarHBondContact O-N 3.29Å; N100-A102 PolarHBondContact OD1-N 3.39Å; N100-L103 PolarHBondContact O-N 3.26Å; N100-L103 WeakPolarHBondContact OD1-CB 3.34Å; N100-L103 PolarHBondContact OD1-N 3.46Å; N100-W104 PolarHBondContact O-N 2.85Å |
| 101 | L | 94.3 | Very high | 96.2 | Very high | 32 Ų | 32 | 40.2 Ų | 40.2 | 17% | 0.168 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.8 | -38 | -178.6 | -179 | 61.6 | 0 | 0 | 0 | 112.6 | F43 C45 Y49 L50 L103 W104 V105 | F43-L101 HydrophobicContact CD2-CB 4.45Å; F43-L101 HydrophobicContact CD2-CD1 3.95Å; F43-L101 HydrophobicContact CE2-CD1 4.47Å; F43-L101 HydrophobicContact CG-CB 4.39Å; C45-L101 HydrophobicContact CB-CD2 3.97Å; Y49-L101 HydrophobicContact CD2-CD2 4.21Å; Y49-L101 HydrophobicContact CG-CD2 4.33Å; L50-L101 HydrophobicContact CD2-CD1 3.74Å; L50-L101 HydrophobicContact CG-CD1 4.15Å; L101-L103 PolarHBondContact O-N 2.87Å; L101-W104 WeakPolarHBondContact O-CB 3.36Å; L101-W104 PolarHBondContact O-N 2.91Å; L101-W104 VanDerWaalsContact O-N 3.17Å; L101-V105 HydrophobicContact CD1-CG2 3.98Å; L101-V105 HydrophobicContact CG-CG2 4.13Å; L101-V105 WeakPolarHBondContact O-CB 3.44Å; L101-V105 VanDerWaalsContact O-CG2 3.27Å; L101-V105 WeakPolarHBondContact O-CG2 3.28Å; L101-V105 PolarHBondContact O-N 3.33Å |
| 102 | A | 95.8 | Very high | 96.1 | Very high | 69 Ų | 69 | 40.1 Ų | 40.1 | 57% | 0.57 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -61 | -46.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N100 W104 V105 V106 | N100-A102 VanDerWaalsContact C-N 3.3Å; N100-A102 PolarHBondContact O-N 3.29Å; N100-A102 PolarHBondContact OD1-N 3.39Å; A102-W104 VanDerWaalsContact C-N 3.32Å; A102-W104 PolarHBondContact O-N 2.83Å; A102-V105 PolarHBondContact O-N 3.23Å; A102-V106 WeakPolarHBondContact O-CG2 3.43Å; A102-V106 PolarHBondContact O-N 2.84Å |
| 103 | L | 96.9 | Very high | 96 | Very high | 71 Ų | 71 | 39.4 Ų | 39.4 | 37% | 0.372 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.7 | -39 | 175.9 | -177.8 | 61.8 | 0 | 0 | 0 | 111.3 | I94 N100 L101 V106 A107 | I94-L103 HydrophobicContact CG2-CD1 4.08Å; I94-L103 HydrophobicContact CG2-CD2 4.18Å; I94-L103 HydrophobicContact CG2-CG 4.08Å; N100-L103 PolarHBondContact O-N 3.26Å; N100-L103 WeakPolarHBondContact OD1-CB 3.34Å; N100-L103 PolarHBondContact OD1-N 3.46Å; L101-L103 PolarHBondContact O-N 2.87Å; L103-V106 PolarHBondContact O-N 3.47Å; L103-A107 VanDerWaalsContact O-CB 3.22Å; L103-A107 WeakPolarHBondContact O-CB 3.38Å; L103-A107 PolarHBondContact O-N 3.39Å |
| 104 | W | 97 | Very high | 95.8 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.9 | -48.2 | 175.9 | -168.6 | 98.3 | 0 | 0 | 0 | 111.6 | Y32 V35 F39 F43 L50 A53 A95 S98 N100 L101 A102 V106 A107 V108 | Y32-W104 HydrophobicContact CE2-CH2 4.15Å; Y32-W104 WeakPolarHBondContact OH-CH2 3.46Å; V35-W104 HydrophobicContact CG1-CZ2 4.43Å; F39-W104 HydrophobicContact CB-CZ2 3.99Å; F39-W104 AromaticContact CD1-CD1 3.52Å; F39-W104 AromaticContact CD1-NE1 3.24Å; F39-W104 AromaticContact CD2-CE2 3.86Å; F39-W104 AromaticContact CD2-CZ2 3.87Å; F39-W104 HydrophobicContact CD2-CZ2 3.87Å; F39-W104 AromaticContact CD2-NE1 3.34Å; F39-W104 VanDerWaalsContact CD2-NE1 3.34Å; F39-W104 AromaticContact CE1-CD1 3.72Å; F39-W104 AromaticContact CE1-NE1 3.52Å; F39-W104 AromaticContact CE2-NE1 3.63Å; F39-W104 AromaticContact CG-CD1 3.89Å; F39-W104 AromaticContact CG-CE2 3.71Å; F39-W104 HydrophobicContact CG-CZ2 4.01Å; F39-W104 AromaticContact CG-NE1 3.15Å; F39-W104 AromaticContact CZ-NE1 3.72Å; F43-W104 HydrophobicContact CE2-CB 3.79Å; F43-W104 AromaticContact CE2-CD1 3.78Å; F43-W104 AromaticContact CE2-CG 3.78Å; F43-W104 HydrophobicContact CE2-CG 3.78Å; F43-W104 HydrophobicContact CZ-CB 4.05Å; F43-W104 HydrophobicContact CZ-CG 4.34Å; L50-W104 HydrophobicContact CD2-CD2 4.46Å; L50-W104 HydrophobicContact CD2-CE3 3.74Å; L50-W104 HydrophobicContact CD2-CH2 3.8Å; L50-W104 HydrophobicContact CD2-CZ2 4.5Å; L50-W104 HydrophobicContact CD2-CZ3 3.37Å; A53-W104 HydrophobicContact CB-CE3 4.32Å; A53-W104 HydrophobicContact CB-CZ3 3.77Å; A95-W104 VanDerWaalsContact O-CD1 3.29Å; S98-W104 WeakPolarHBondContact OG-CB 3.26Å; N100-W104 PolarHBondContact O-N 2.85Å; L101-W104 WeakPolarHBondContact O-CB 3.36Å; L101-W104 PolarHBondContact O-N 2.91Å; L101-W104 VanDerWaalsContact O-N 3.17Å; A102-W104 VanDerWaalsContact C-N 3.32Å; A102-W104 PolarHBondContact O-N 2.83Å; W104-V106 VanDerWaalsContact C-N 3.33Å; W104-V106 PolarHBondContact O-N 3.13Å; W104-A107 PolarHBondContact O-N 3.16Å; W104-V108 HydrophobicContact CD2-CB 4.37Å; W104-V108 HydrophobicContact CD2-CG2 3.76Å; W104-V108 HydrophobicContact CE3-CB 4.17Å; W104-V108 HydrophobicContact CE3-CG2 4.05Å; W104-V108 HydrophobicContact CG-CG2 4.37Å; W104-V108 HydrophobicContact CH2-CB 4.28Å; W104-V108 HydrophobicContact CH2-CG1 4.05Å; W104-V108 HydrophobicContact CH2-CG2 4.08Å; W104-V108 HydrophobicContact CZ2-CB 4.47Å; W104-V108 HydrophobicContact CZ2-CG1 4.46Å; W104-V108 HydrophobicContact CZ2-CG2 3.78Å; W104-V108 HydrophobicContact CZ3-CB 4.11Å; W104-V108 HydrophobicContact CZ3-CG1 4.18Å; W104-V108 HydrophobicContact CZ3-CG2 4.2Å; W104-V108 WeakPolarHBondContact O-CB 3.4Å; W104-V108 WeakPolarHBondContact O-CG2 3.33Å; W104-V108 PolarHBondContact O-N 3.02Å |
| 105 | V | 96.2 | Very high | 95.7 | Very high | 16 Ų | 16 | 34.6 Ų | 34.6 | 10% | 0.097 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.2 | -41 | 179.1 | 169 | 0 | 0 | 0 | 0 | 111.2 | Y49 A53 L56 L101 A102 G109 | Y49-V105 WeakPolarHBondContact O-CG2 3.48Å; A53-V105 HydrophobicContact CB-CB 4.27Å; A53-V105 HydrophobicContact CB-CG1 4.04Å; A53-V105 HydrophobicContact CB-CG2 4.19Å; L56-V105 HydrophobicContact CD1-CG1 4.49Å; L101-V105 HydrophobicContact CD1-CG2 3.98Å; L101-V105 HydrophobicContact CG-CG2 4.13Å; L101-V105 WeakPolarHBondContact O-CB 3.44Å; L101-V105 VanDerWaalsContact O-CG2 3.27Å; L101-V105 WeakPolarHBondContact O-CG2 3.28Å; L101-V105 PolarHBondContact O-N 3.33Å; A102-V105 PolarHBondContact O-N 3.23Å; V105-G109 VanDerWaalsContact O-CA 3.26Å; V105-G109 WeakPolarHBondContact O-CA 3.44Å; V105-G109 PolarHBondContact O-N 3.5Å |
| 106 | V | 97 | Very high | 95.4 | Very high | 88 Ų | 88 | 35 Ų | 35 | 53% | 0.533 | 21% | 0.213 | S | C | . | . | I | π-helix | trans | -67.8 | -47.2 | 175.6 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | A102 L103 W104 F110 G111 | A102-V106 WeakPolarHBondContact O-CG2 3.43Å; A102-V106 PolarHBondContact O-N 2.84Å; L103-V106 PolarHBondContact O-N 3.47Å; W104-V106 VanDerWaalsContact C-N 3.33Å; W104-V106 PolarHBondContact O-N 3.13Å; V106-F110 HydrophobicContact CG1-CB 4.48Å; V106-F110 WeakPolarHBondContact O-CA 3.14Å; V106-F110 WeakPolarHBondContact O-CB 3.16Å; V106-F110 PolarHBondContact O-N 2.7Å; V106-G111 PolarHBondContact O-N 3.14Å; V106-G111 VanDerWaalsContact O-N 3.09Å |
| 107 | A | 97.2 | Very high | 95.2 | Very high | 8 Ų | 8 | 35 Ų | 35 | 7% | 0.066 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -63.9 | -45.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S91 I94 A95 L103 W104 G111 I112 | S91-A107 WeakPolarHBondContact CB-O 3.49Å; I94-A107 HydrophobicContact CB-CB 4.19Å; I94-A107 HydrophobicContact CG2-CB 3.83Å; A95-A107 HydrophobicContact CB-CB 4.01Å; L103-A107 VanDerWaalsContact O-CB 3.22Å; L103-A107 WeakPolarHBondContact O-CB 3.38Å; L103-A107 PolarHBondContact O-N 3.39Å; W104-A107 PolarHBondContact O-N 3.16Å; A107-G111 WeakPolarHBondContact O-CA 3.19Å; A107-G111 PolarHBondContact O-N 3.15Å; A107-G111 VanDerWaalsContact O-N 3.16Å; A107-I112 PolarHBondContact O-N 2.76Å |
| 108 | V | 95.6 | Very high | 95 | Very high | 7 Ų | 7 | 32 Ų | 32 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -76.3 | -58.5 | 178.9 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | Y32 A53 I57 A95 W104 I112 | Y32-V108 HydrophobicContact CE2-CG1 3.83Å; A53-V108 HydrophobicContact CB-CG1 4.5Å; I57-V108 HydrophobicContact CD1-CG1 3.87Å; I57-V108 HydrophobicContact CG1-CG1 4.44Å; A95-V108 HydrophobicContact CB-CG2 3.44Å; A95-V108 VanDerWaalsContact CB-CG2 3.44Å; W104-V108 HydrophobicContact CD2-CB 4.37Å; W104-V108 HydrophobicContact CD2-CG2 3.76Å; W104-V108 HydrophobicContact CE3-CB 4.17Å; W104-V108 HydrophobicContact CE3-CG2 4.05Å; W104-V108 HydrophobicContact CG-CG2 4.37Å; W104-V108 HydrophobicContact CH2-CB 4.28Å; W104-V108 HydrophobicContact CH2-CG1 4.05Å; W104-V108 HydrophobicContact CH2-CG2 4.08Å; W104-V108 HydrophobicContact CZ2-CB 4.47Å; W104-V108 HydrophobicContact CZ2-CG1 4.46Å; W104-V108 HydrophobicContact CZ2-CG2 3.78Å; W104-V108 HydrophobicContact CZ3-CB 4.11Å; W104-V108 HydrophobicContact CZ3-CG1 4.18Å; W104-V108 HydrophobicContact CZ3-CG2 4.2Å; W104-V108 WeakPolarHBondContact O-CB 3.4Å; W104-V108 WeakPolarHBondContact O-CG2 3.33Å; W104-V108 PolarHBondContact O-N 3.02Å; V108-I112 WeakPolarHBondContact O-CB 3.35Å; V108-I112 WeakPolarHBondContact O-CG1 3.47Å; V108-I112 PolarHBondContact O-N 3Å; V108-I112 VanDerWaalsContact O-N 3.16Å |
| 109 | G | 94.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -62.5 | -56.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A53 L56 V105 G113 | A53-G109 VanDerWaalsContact O-CA 3.28Å; A53-G109 WeakPolarHBondContact O-CA 3.37Å; L56-G109 CarbonylContact C-O 3.48Å; V105-G109 VanDerWaalsContact O-CA 3.26Å; V105-G109 WeakPolarHBondContact O-CA 3.44Å; V105-G109 PolarHBondContact O-N 3.5Å; G109-G113 PolarHBondContact O-N 2.92Å |
| 110 | F | 94.8 | Very high | 94.7 | Very high | 122 Ų | 122 | 29.7 Ų | 29.7 | 54% | 0.535 | 17% | 0.172 | S | C | . | . | I | π-helix | trans | -77.1 | -52.9 | -178.7 | -170.8 | -84.8 | 0 | 0 | 0 | 112.7 | L60 V106 G113 A114 | L60-F110 VanDerWaalsContact CD1-CA 3.43Å; L60-F110 HydrophobicContact CD1-CB 4.05Å; L60-F110 HydrophobicContact CD1-CD2 3.53Å; L60-F110 HydrophobicContact CD1-CE2 4.18Å; L60-F110 HydrophobicContact CD1-CG 3.92Å; L60-F110 HydrophobicContact CD2-CD2 4.41Å; L60-F110 HydrophobicContact CD2-CE2 4.36Å; V106-F110 HydrophobicContact CG1-CB 4.48Å; V106-F110 WeakPolarHBondContact O-CA 3.14Å; V106-F110 WeakPolarHBondContact O-CB 3.16Å; V106-F110 PolarHBondContact O-N 2.7Å; F110-G113 PolarHBondContact O-N 2.82Å; F110-A114 WeakPolarHBondContact O-CB 3.41Å; F110-A114 PolarHBondContact O-N 3.41Å |
| 111 | G | 95.6 | Very high | 94.3 | Very high | 12 Ų | 12 | 27.9 Ų | 27.9 | 12% | 0.124 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -63.4 | -50.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S91 V106 A107 S115 | S91-G111 WeakPolarHBondContact OG-CA 3.42Å; S91-G111 PolarHBondContact OG-O 3.11Å; V106-G111 PolarHBondContact O-N 3.14Å; V106-G111 VanDerWaalsContact O-N 3.09Å; A107-G111 WeakPolarHBondContact O-CA 3.19Å; A107-G111 PolarHBondContact O-N 3.15Å; A107-G111 VanDerWaalsContact O-N 3.16Å; G111-S115 VanDerWaalsContact O-CB 3.3Å; G111-S115 WeakPolarHBondContact O-CB 3.14Å; G111-S115 PolarHBondContact O-N 2.91Å; G111-S115 VanDerWaalsContact O-N 3.15Å; G111-S115 PolarHBondContact O-OG 2.94Å |
| 112 | I | 95.6 | Very high | 94.1 | Very high | 13 Ų | 13 | 26.6 Ų | 26.6 | 7% | 0.067 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -68.7 | -43.5 | 177.2 | -53.5 | -67.5 | 0 | 0 | 0 | 110.4 | I57 S88 L92 A107 V108 A114 S115 L116 | I57-I112 HydrophobicContact CD1-CG2 4.47Å; I57-I112 HydrophobicContact CG1-CB 4.4Å; I57-I112 HydrophobicContact CG2-CG2 4.34Å; S88-I112 WeakPolarHBondContact O-CD1 3.44Å; L92-I112 HydrophobicContact CB-CD1 4.05Å; A107-I112 PolarHBondContact O-N 2.76Å; V108-I112 WeakPolarHBondContact O-CB 3.35Å; V108-I112 WeakPolarHBondContact O-CG1 3.47Å; V108-I112 PolarHBondContact O-N 3Å; V108-I112 VanDerWaalsContact O-N 3.16Å; I112-A114 PolarHBondContact O-N 3.02Å; I112-S115 WeakPolarHBondContact O-CB 3.38Å; I112-S115 PolarHBondContact O-N 2.84Å; I112-S115 VanDerWaalsContact O-N 3.11Å; I112-L116 HydrophobicContact CG2-CD1 4.06Å; I112-L116 HydrophobicContact CG2-CD2 4.19Å; I112-L116 HydrophobicContact CG2-CG 3.83Å; I112-L116 WeakPolarHBondContact O-CG 3.39Å; I112-L116 PolarHBondContact O-N 3.42Å |
| 113 | G | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -55.8 | -48.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | I57 M61 G109 F110 S115 L116 S117 | I57-G113 VanDerWaalsContact O-CA 3.3Å; I57-G113 WeakPolarHBondContact O-CA 3.36Å; M61-G113 PolarHBondContact N-O 3.03Å; G109-G113 PolarHBondContact O-N 2.92Å; F110-G113 PolarHBondContact O-N 2.82Å; G113-S115 VanDerWaalsContact C-N 3.35Å; G113-S115 PolarHBondContact O-N 3.33Å; G113-L116 PolarHBondContact O-N 2.98Å; G113-S117 PolarHBondContact O-N 2.87Å; G113-S117 VanDerWaalsContact O-N 3.15Å |
| 114 | A | 94.5 | Very high | 93.3 | Very high | 23 Ų | 23 | 23.8 Ų | 23.8 | 19% | 0.19 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.5 | -41.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | L64 F110 I112 S117 C118 | L64-A114 HydrophobicContact CD1-CB 3.98Å; F110-A114 WeakPolarHBondContact O-CB 3.41Å; F110-A114 PolarHBondContact O-N 3.41Å; I112-A114 PolarHBondContact O-N 3.02Å; A114-S117 WeakPolarHBondContact O-CB 3.46Å; A114-S117 PolarHBondContact O-N 3.16Å; A114-C118 PolarHBondContact O-N 3.23Å; A114-C118 PolarHBondContact O-SG 3.29Å |
| 115 | S | 95.3 | Very high | 92.8 | Very high | 9 Ų | 9 | 25.8 Ų | 25.8 | 6% | 0.063 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 179.2 | -60.4 | 0 | 0 | 0 | 0 | 112.5 | G84 G87 S88 G111 I112 G113 S117 C118 I119 | G84-S115 WeakPolarHBondContact O-CB 3.26Å; G87-S115 WeakPolarHBondContact CA-OG 3.27Å; S88-S115 PolarHBondContact N-OG 3.46Å; S88-S115 VanDerWaalsContact N-OG 3.09Å; G111-S115 VanDerWaalsContact O-CB 3.3Å; G111-S115 WeakPolarHBondContact O-CB 3.14Å; G111-S115 PolarHBondContact O-N 2.91Å; G111-S115 VanDerWaalsContact O-N 3.15Å; G111-S115 PolarHBondContact O-OG 2.94Å; I112-S115 WeakPolarHBondContact O-CB 3.38Å; I112-S115 PolarHBondContact O-N 2.84Å; I112-S115 VanDerWaalsContact O-N 3.11Å; G113-S115 VanDerWaalsContact C-N 3.35Å; G113-S115 PolarHBondContact O-N 3.33Å; S115-S117 VanDerWaalsContact C-N 3.31Å; S115-S117 PolarHBondContact O-N 3.09Å; S115-C118 WeakPolarHBondContact O-CB 3.3Å; S115-C118 PolarHBondContact O-N 2.92Å; S115-I119 WeakPolarHBondContact O-CG1 3.25Å; S115-I119 PolarHBondContact O-N 3.42Å |
| 116 | L | 90.7 | Very high | 92.4 | Very high | 10 Ų | 10 | 25.6 Ų | 25.6 | 5% | 0.052 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.7 | -34.1 | 177.6 | -63.5 | -162.5 | 0 | 0 | 0 | 111.9 | L25 I57 M61 I112 G113 C118 I119 Y120 | L25-L116 HydrophobicContact CD1-CD2 3.84Å; L25-L116 HydrophobicContact CD2-CB 4.43Å; L25-L116 HydrophobicContact CD2-CD2 4.14Å; L25-L116 HydrophobicContact CG-CD1 4.33Å; L25-L116 HydrophobicContact CG-CD2 3.61Å; L25-L116 HydrophobicContact CG-CG 4.4Å; I57-L116 HydrophobicContact CG2-CD1 3.79Å; M61-L116 HydrophobicContact CG-CB 4.3Å; M61-L116 HydrophobicContact SD-CB 4.3Å; I112-L116 HydrophobicContact CG2-CD1 4.06Å; I112-L116 HydrophobicContact CG2-CD2 4.19Å; I112-L116 HydrophobicContact CG2-CG 3.83Å; I112-L116 WeakPolarHBondContact O-CG 3.39Å; I112-L116 PolarHBondContact O-N 3.42Å; G113-L116 PolarHBondContact O-N 2.98Å; L116-C118 VanDerWaalsContact C-N 3.3Å; L116-C118 PolarHBondContact O-N 3.32Å; L116-I119 PolarHBondContact O-N 3.46Å; L116-I119 VanDerWaalsContact O-N 3.12Å; L116-Y120 WeakPolarHBondContact O-CB 3.05Å; L116-Y120 PolarHBondContact O-N 3.49Å |
| 117 | S | 92.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.5 | -42.3 | 174.2 | -162 | 0 | 0 | 0 | 0 | 111.9 | M61 S65 N68 G113 A114 S115 I119 | M61-S117 WeakPolarHBondContact O-CB 3.46Å; M61-S117 PolarHBondContact O-OG 3.23Å; S65-S117 PolarHBondContact N-OG 2.67Å; N68-S117 WeakPolarHBondContact ND2-CB 3.26Å; N68-S117 PolarHBondContact ND2-O 3.16Å; N68-S117 PolarHBondContact ND2-OG 3.25Å; G113-S117 PolarHBondContact O-N 2.87Å; G113-S117 VanDerWaalsContact O-N 3.15Å; A114-S117 WeakPolarHBondContact O-CB 3.46Å; A114-S117 PolarHBondContact O-N 3.16Å; S115-S117 VanDerWaalsContact C-N 3.31Å; S115-S117 PolarHBondContact O-N 3.09Å; S117-I119 PolarHBondContact O-N 3.28Å |
| 118 | C | 93.1 | Very high | 91.3 | Very high | 18 Ų | 18 | 22.4 Ų | 22.4 | 12% | 0.122 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.8 | -23.8 | 178.7 | -68 | 0 | 0 | 0 | 0 | 113 | N68 V80 A114 S115 L116 T122 | N68-C118 PolarHBondContact ND2-N 3.48Å; N68-C118 VanDerWaalsContact ND2-N 3.2Å; V80-C118 HydrophobicContact CG1-CB 3.92Å; A114-C118 PolarHBondContact O-N 3.23Å; A114-C118 PolarHBondContact O-SG 3.29Å; S115-C118 WeakPolarHBondContact O-CB 3.3Å; S115-C118 PolarHBondContact O-N 2.92Å; L116-C118 VanDerWaalsContact C-N 3.3Å; L116-C118 PolarHBondContact O-N 3.32Å; C118-T122 WeakPolarHBondContact O-CB 3.39Å; C118-T122 PolarHBondContact O-OG1 3.42Å |
| 119 | I | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -98.8 | -58.3 | -174.9 | -58.6 | 174.4 | 0 | 0 | 0 | 110.6 | A21 L25 V81 S115 L116 S117 F121 T122 V123 L180 | A21-I119 HydrophobicContact CB-CG2 3.87Å; L25-I119 HydrophobicContact CD1-CD1 4.46Å; L25-I119 HydrophobicContact CD1-CG2 4.1Å; L25-I119 HydrophobicContact CD2-CB 4.43Å; L25-I119 HydrophobicContact CD2-CG2 4.27Å; V81-I119 HydrophobicContact CG1-CG1 4.3Å; S115-I119 WeakPolarHBondContact O-CG1 3.25Å; S115-I119 PolarHBondContact O-N 3.42Å; L116-I119 PolarHBondContact O-N 3.46Å; L116-I119 VanDerWaalsContact O-N 3.12Å; S117-I119 PolarHBondContact O-N 3.28Å; I119-F121 PolarHBondContact O-N 3.34Å; I119-T122 PolarHBondContact O-N 3.11Å; I119-V123 HydrophobicContact CG2-CG2 4.12Å; I119-V123 WeakPolarHBondContact O-CB 3.44Å; I119-V123 VanDerWaalsContact O-CG2 3.25Å; I119-V123 WeakPolarHBondContact O-CG2 3.37Å; I119-V123 PolarHBondContact O-N 3.39Å; I119-L180 HydrophobicContact CD1-CB 4.23Å; I119-L180 HydrophobicContact CD1-CD1 3.68Å; I119-L180 HydrophobicContact CD1-CD2 4.4Å; I119-L180 HydrophobicContact CD1-CG 4.31Å |
| 120 | Y | 89.9 | Confident | 90.4 | Very high | 46 Ų | 46 | 25.8 Ų | 25.8 | 18% | 0.18 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.2 | -54.7 | -168 | -178 | -105.4 | 0 | 0 | 0 | 112.7 | L25 M61 L116 T122 V123 F124 | L25-Y120 HydrophobicContact CD2-CD2 4.24Å; L25-Y120 HydrophobicContact CD2-CG 4.49Å; M61-Y120 HydrophobicContact SD-CG 4.47Å; L116-Y120 WeakPolarHBondContact O-CB 3.05Å; L116-Y120 PolarHBondContact O-N 3.49Å; Y120-T122 PolarHBondContact O-N 3.37Å; Y120-V123 PolarHBondContact O-N 2.89Å; Y120-F124 PolarHBondContact O-N 3.34Å |
| 121 | F | 85.5 | Confident | 89.7 | Confident | 40 Ų | 40 | 20.1 Ų | 20.1 | 18% | 0.175 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -71.4 | -32.4 | -178.6 | -73.9 | -72.3 | 0 | 0 | 0 | 112.6 | M61 Y62 I119 F124 A125 M462 | M61-F121 HydrophobicContact CG-CE2 4.32Å; M61-F121 VanDerWaalsContact O-CE2 3.29Å; M61-F121 WeakPolarHBondContact O-CE2 3.29Å; Y62-F121 HydrophobicContact CD1-CE2 4.1Å; Y62-F121 AromaticContact CD1-CZ 3.86Å; Y62-F121 HydrophobicContact CD1-CZ 3.86Å; Y62-F121 HydrophobicContact CE1-CZ 4.29Å; I119-F121 PolarHBondContact O-N 3.34Å; F121-F124 PolarHBondContact O-N 3.21Å; F121-A125 WeakPolarHBondContact O-CB 3.47Å; F121-A125 PolarHBondContact O-N 2.92Å; F121-M462 HydrophobicContact CE1-CG 4.43Å; F121-M462 HydrophobicContact CZ-CG 4.18Å; F121-M462 HydrophobicContact CZ-SD 4.46Å |
| 122 | T | 90.8 | Very high | 89 | Confident | 5 Ų | 5 | 24.8 Ų | 24.8 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.5 | -43.8 | 176 | -52.4 | 0 | 0 | 0 | 0 | 111 | V81 C118 I119 Y120 F124 A125 V126 M187 | V81-T122 HydrophobicContact CG2-CG2 3.65Å; C118-T122 WeakPolarHBondContact O-CB 3.39Å; C118-T122 PolarHBondContact O-OG1 3.42Å; I119-T122 PolarHBondContact O-N 3.11Å; Y120-T122 PolarHBondContact O-N 3.37Å; T122-F124 VanDerWaalsContact C-N 3.34Å; T122-A125 PolarHBondContact O-N 2.9Å; T122-V126 HydrophobicContact CG2-CG2 4.35Å; T122-V126 WeakPolarHBondContact O-CB 3.15Å; T122-V126 WeakPolarHBondContact O-CG2 3.49Å; T122-V126 PolarHBondContact O-N 2.94Å; T122-M187 HydrophobicContact CG2-CE 4.35Å; T122-M187 HydrophobicContact CG2-SD 4.43Å |
| 123 | V | 90.6 | Very high | 88.2 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.7 | -49.5 | 172.7 | 167 | 0 | 0 | 0 | 0 | 110.2 | G18 A21 I119 Y120 A125 V126 V127 T183 M187 | G18-V123 VanDerWaalsContact CA-CG1 3.4Å; A21-V123 HydrophobicContact CB-CG2 4.11Å; I119-V123 HydrophobicContact CG2-CG2 4.12Å; I119-V123 WeakPolarHBondContact O-CB 3.44Å; I119-V123 VanDerWaalsContact O-CG2 3.25Å; I119-V123 WeakPolarHBondContact O-CG2 3.37Å; I119-V123 PolarHBondContact O-N 3.39Å; Y120-V123 PolarHBondContact O-N 2.89Å; V123-A125 PolarHBondContact O-N 3.2Å; V123-V126 PolarHBondContact O-N 2.77Å; V123-V127 HydrophobicContact CG1-CG2 4.45Å; V123-V127 WeakPolarHBondContact O-CG2 3.41Å; V123-V127 PolarHBondContact O-N 2.71Å; V123-T183 HydrophobicContact CG2-CG2 3.71Å; V123-M187 HydrophobicContact CB-CE 4.09Å; V123-M187 HydrophobicContact CG2-CE 3.42Å; V123-M187 VanDerWaalsContact CG2-CE 3.42Å |
| 124 | F | 85.2 | Confident | 87.4 | Confident | 78 Ų | 78 | 37.6 Ų | 37.6 | 34% | 0.342 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.1 | -47.1 | 179.8 | -169.5 | -92.4 | 0 | 0 | 0 | 112.1 | Y120 F121 T122 G128 | Y120-F124 PolarHBondContact O-N 3.34Å; F121-F124 PolarHBondContact O-N 3.21Å; T122-F124 VanDerWaalsContact C-N 3.34Å; F124-G128 PolarHBondContact O-N 3.12Å |
| 125 | A | 85.8 | Confident | 86.5 | Confident | 44 Ų | 44 | 39.5 Ų | 39.5 | 36% | 0.364 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.8 | -43.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F121 T122 V123 G128 C129 | F121-A125 WeakPolarHBondContact O-CB 3.47Å; F121-A125 PolarHBondContact O-N 2.92Å; T122-A125 PolarHBondContact O-N 2.9Å; V123-A125 PolarHBondContact O-N 3.2Å; A125-G128 PolarHBondContact O-N 3.41Å; A125-C129 PolarHBondContact O-N 3.45Å; A125-C129 PolarHBondContact O-SG 3.29Å; A125-C129 VanDerWaalsContact O-SG 3.34Å |
| 126 | V | 88.9 | Confident | 85.2 | Confident | 11 Ų | 11 | 42 Ų | 42 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68 | -43.5 | -178.6 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | T14 S77 T122 V123 G128 C129 C130 M187 P188 | T14-V126 HydrophobicContact CG2-CG1 3.66Å; S77-V126 VanDerWaalsContact CB-CG2 3.41Å; T122-V126 HydrophobicContact CG2-CG2 4.35Å; T122-V126 WeakPolarHBondContact O-CB 3.15Å; T122-V126 WeakPolarHBondContact O-CG2 3.49Å; T122-V126 PolarHBondContact O-N 2.94Å; V123-V126 PolarHBondContact O-N 2.77Å; V126-G128 VanDerWaalsContact C-N 3.26Å; V126-G128 PolarHBondContact O-N 3.34Å; V126-C129 PolarHBondContact O-N 2.87Å; V126-C130 PolarHBondContact O-N 3.48Å; V126-C130 VanDerWaalsContact O-N 3.14Å; V126-C130 PolarHBondContact O-SG 3.01Å; V126-C130 VanDerWaalsContact O-SG 3.33Å; V126-M187 HydrophobicContact CB-CE 4.43Å; V126-M187 HydrophobicContact CG1-CG 4.27Å; V126-M187 HydrophobicContact CG2-CE 4.35Å; V126-M187 HydrophobicContact CG2-SD 4.11Å; V126-P188 HydrophobicContact CG1-CG 3.99Å |
| 127 | V | 86.5 | Confident | 84.5 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.9 | -40.9 | 173.8 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | T14 V15 V123 C129 C130 F131 A138 N139 | T14-V127 HydrophobicContact CG2-CG2 4.06Å; V15-V127 HydrophobicContact CG2-CG1 4.45Å; V123-V127 HydrophobicContact CG1-CG2 4.45Å; V123-V127 WeakPolarHBondContact O-CG2 3.41Å; V123-V127 PolarHBondContact O-N 2.71Å; V127-C129 VanDerWaalsContact C-N 3.29Å; V127-C129 PolarHBondContact O-N 2.94Å; V127-C130 PolarHBondContact O-N 3.25Å; V127-C130 VanDerWaalsContact O-N 3.09Å; V127-F131 HydrophobicContact CG1-CD2 4.28Å; V127-F131 PolarHBondContact O-N 2.84Å; V127-A138 HydrophobicContact CG1-CB 4.02Å; V127-N139 WeakPolarHBondContact CG1-OD1 3.29Å |
| 128 | G | 83.3 | Confident | 84 | Confident | 29 Ų | 29 | 46.2 Ų | 46.2 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -55.7 | -38.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F124 A125 V126 | F124-G128 PolarHBondContact O-N 3.12Å; A125-G128 PolarHBondContact O-N 3.41Å; V126-G128 VanDerWaalsContact C-N 3.26Å; V126-G128 PolarHBondContact O-N 3.34Å |
| 129 | C | 86.2 | Confident | 83.5 | Confident | 78 Ų | 78 | 46.7 Ų | 46.7 | 53% | 0.527 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -79.4 | -21.6 | 177.8 | -66.4 | 0 | 0 | 0 | 0 | 113.6 | A125 V126 V127 I191 | A125-C129 PolarHBondContact O-N 3.45Å; A125-C129 PolarHBondContact O-SG 3.29Å; A125-C129 VanDerWaalsContact O-SG 3.34Å; V126-C129 PolarHBondContact O-N 2.87Å; V127-C129 VanDerWaalsContact C-N 3.29Å; V127-C129 PolarHBondContact O-N 2.94Å; C129-I191 HydrophobicContact CB-CD1 3.54Å |
| 130 | C | 85.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -83.4 | -15.8 | -175.6 | -78 | 0 | 0 | 0 | 0 | 114.2 | V6 D7 A11 V126 V127 | V6-C130 WeakPolarHBondContact CA-O 3.02Å; D7-C130 PolarHBondContact N-O 3.49Å; A11-C130 HydrophobicContact CB-CB 4.08Å; V126-C130 PolarHBondContact O-N 3.48Å; V126-C130 VanDerWaalsContact O-N 3.14Å; V126-C130 PolarHBondContact O-SG 3.01Å; V126-C130 VanDerWaalsContact O-SG 3.33Å; V127-C130 PolarHBondContact O-N 3.25Å; V127-C130 VanDerWaalsContact O-N 3.09Å |
| 131 | F | 81.2 | Confident | 82.7 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.009 | 28% | 0.277 | C | S | . | . | trans | -136.4 | 138 | -173.9 | -66.1 | -86.9 | 0 | 0 | 0 | 111.7 | D7 A11 W12 V15 V127 L135 A138 | D7-F131 VanDerWaalsContact OD1-CA 3.26Å; D7-F131 WeakPolarHBondContact OD1-CA 3.38Å; D7-F131 WeakPolarHBondContact OD1-CD1 3.45Å; A11-F131 VanDerWaalsContact C-CZ 3.49Å; A11-F131 HydrophobicContact CB-CE1 3.89Å; A11-F131 HydrophobicContact CB-CE2 3.76Å; A11-F131 HydrophobicContact CB-CZ 3.44Å; A11-F131 VanDerWaalsContact CB-CZ 3.44Å; W12-F131 HydrophobicContact CD2-CE1 4.13Å; W12-F131 AromaticContact CD2-CZ 3.99Å; W12-F131 HydrophobicContact CD2-CZ 3.99Å; W12-F131 AromaticContact CE2-CE1 3.77Å; W12-F131 HydrophobicContact CE3-CZ 4.37Å; W12-F131 HydrophobicContact CG-CE1 4.44Å; W12-F131 HydrophobicContact CG-CZ 4.16Å; W12-F131 HydrophobicContact CZ2-CE1 4.07Å; W12-F131 AromaticContact NE1-CE1 3.84Å; V15-F131 HydrophobicContact CG2-CD2 4.43Å; V15-F131 HydrophobicContact CG2-CE2 3.43Å; V15-F131 VanDerWaalsContact CG2-CE2 3.43Å; V15-F131 HydrophobicContact CG2-CZ 3.69Å; V127-F131 HydrophobicContact CG1-CD2 4.28Å; V127-F131 PolarHBondContact O-N 2.84Å; F131-L135 HydrophobicContact CB-CB 4.2Å; F131-L135 HydrophobicContact CB-CD1 4.4Å; F131-A138 HydrophobicContact CB-CB 4.36Å; F131-A138 HydrophobicContact CD1-CB 4.15Å; F131-A138 HydrophobicContact CD2-CB 3.5Å; F131-A138 VanDerWaalsContact CD2-CB 3.5Å; F131-A138 HydrophobicContact CE1-CB 4.3Å; F131-A138 HydrophobicContact CE2-CB 3.7Å; F131-A138 HydrophobicContact CG-CB 3.74Å; F131-A138 HydrophobicContact CZ-CB 4.07Å | ||
| 132 | K | 80 | Confident | 82.9 | Confident | 111 Ų | 111 | 48 Ų | 48 | 48% | 0.483 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -115.2 | -56.3 | 168.3 | -71.1 | 175.3 | 176.2 | 174.9 | 0 | 109.6 | V6 D7 D193 | V6-K132 HydrophobicContact CG1-CB 4.37Å; V6-K132 HydrophobicContact CG1-CD 4.19Å; V6-K132 HydrophobicContact CG1-CG 3.95Å; D7-K132 PolarHBondContact OD1-N 3.14Å; D7-K132 PolarHBondContact OD2-N 2.95Å; K132-D193 WeakPolarHBondContact CE-OD2 3.22Å; K132-D193 IonicContact NZ-OD1 2.58Å; K132-D193 PolarHBondContact NZ-OD1 3.48Å; K132-D193 IonicContact NZ-OD2 3.92Å; K132-D193 PolarHBondContact NZ-OD2 3.26Å |
| 133 | R | 78.7 | Confident | 82.7 | Confident | 194 Ų | 194 | 49.3 Ų | 49.3 | 73% | 0.732 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -39.1 | -177.5 | -176.5 | 175.1 | 176.9 | 178 | -1.3 | 112.7 | D7 | D7-R133 PolarHBondContact OD1-N 2.87Å; D7-R133 WeakPolarHBondContact OD2-CB 3.36Å; D7-R133 PolarHBondContact OD2-N 3.22Å |
| 134 | Y | 76.8 | Confident | 82.7 | Confident | 88 Ų | 88 | 49.8 Ų | 49.8 | 35% | 0.345 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 19.5 | -175.9 | -54.2 | -69.3 | 0 | 0 | 0 | 113.3 | D7 G136 L137 A138 | D7-Y134 HydrophobicContact CB-CD2 4.46Å; Y134-G136 PolarHBondContact O-N 3.45Å; Y134-L137 PolarHBondContact O-N 3.17Å; Y134-A138 WeakPolarHBondContact O-CB 3.48Å; Y134-A138 PolarHBondContact O-N 3.45Å |
| 135 | L | 75.9 | Confident | 83.1 | Confident | 63 Ų | 63 | 46.1 Ų | 46.1 | 33% | 0.33 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -54.8 | -47.5 | -172.9 | 176.6 | 59.1 | 0 | 0 | 0 | 113.1 | F131 L137 A138 N139 | F131-L135 HydrophobicContact CB-CB 4.2Å; F131-L135 HydrophobicContact CB-CD1 4.4Å; L135-L137 PolarHBondContact O-N 3.24Å; L135-A138 PolarHBondContact O-N 3.11Å; L135-N139 WeakPolarHBondContact O-CB 3.46Å; L135-N139 PolarHBondContact O-N 2.96Å |
| 136 | G | 68.2 | Low | 83.4 | Confident | 60 Ų | 60 | 44.7 Ų | 44.7 | 62% | 0.619 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -60.8 | -44.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y134 G140 | Y134-G136 PolarHBondContact O-N 3.45Å; G136-G140 PolarHBondContact O-N 3.43Å |
| 137 | L | 77.2 | Confident | 83.7 | Confident | 99 Ų | 99 | 44.1 Ų | 44.1 | 52% | 0.518 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.9 | -44.3 | 177.9 | -179.9 | 62.4 | 0 | 0 | 0 | 111.9 | W12 Y134 L135 G140 I141 | W12-L137 HydrophobicContact CH2-CD2 3.89Å; W12-L137 HydrophobicContact CH2-CG 4.1Å; Y134-L137 PolarHBondContact O-N 3.17Å; L135-L137 PolarHBondContact O-N 3.24Å; L137-G140 PolarHBondContact O-N 3.44Å; L137-I141 HydrophobicContact CD1-CD1 3.83Å; L137-I141 HydrophobicContact CD1-CG1 4.25Å; L137-I141 HydrophobicContact CG-CD1 3.91Å; L137-I141 WeakPolarHBondContact O-CG1 3.27Å; L137-I141 PolarHBondContact O-N 2.99Å |
| 138 | A | 82.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V15 V127 F131 Y134 L135 S142 | V15-A138 WeakPolarHBondContact CG1-O 3.48Å; V15-A138 HydrophobicContact CG2-CB 3.78Å; V127-A138 HydrophobicContact CG1-CB 4.02Å; F131-A138 HydrophobicContact CB-CB 4.36Å; F131-A138 HydrophobicContact CD1-CB 4.15Å; F131-A138 HydrophobicContact CD2-CB 3.5Å; F131-A138 VanDerWaalsContact CD2-CB 3.5Å; F131-A138 HydrophobicContact CE1-CB 4.3Å; F131-A138 HydrophobicContact CE2-CB 3.7Å; F131-A138 HydrophobicContact CG-CB 3.74Å; F131-A138 HydrophobicContact CZ-CB 4.07Å; Y134-A138 WeakPolarHBondContact O-CB 3.48Å; Y134-A138 PolarHBondContact O-N 3.45Å; L135-A138 PolarHBondContact O-N 3.11Å; A138-S142 WeakPolarHBondContact O-CB 3.46Å; A138-S142 PolarHBondContact O-N 3.36Å |
| 139 | N | 81.5 | Confident | 84.7 | Confident | 28 Ų | 28 | 44.9 Ų | 44.9 | 15% | 0.15 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64 | -44.6 | 174.1 | -81.6 | -16.6 | 0 | 0 | 0 | 111.4 | V127 L135 I141 S142 V143 | V127-N139 WeakPolarHBondContact CG1-OD1 3.29Å; L135-N139 WeakPolarHBondContact O-CB 3.46Å; L135-N139 PolarHBondContact O-N 2.96Å; N139-I141 PolarHBondContact O-N 3.01Å; N139-S142 PolarHBondContact O-N 2.89Å; N139-V143 VanDerWaalsContact O-CB 3.26Å; N139-V143 WeakPolarHBondContact O-CB 3.48Å; N139-V143 VanDerWaalsContact O-CG2 3.26Å; N139-V143 WeakPolarHBondContact O-CG2 3.43Å; N139-V143 PolarHBondContact O-N 2.89Å |
| 140 | G | 80 | Confident | 85.1 | Confident | 43 Ų | 43 | 41.3 Ų | 41.3 | 44% | 0.443 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57 | -48.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G136 L137 V143 A144 | G136-G140 PolarHBondContact O-N 3.43Å; L137-G140 PolarHBondContact O-N 3.44Å; G140-V143 PolarHBondContact O-N 3.32Å; G140-A144 WeakPolarHBondContact O-CB 3.46Å; G140-A144 PolarHBondContact O-N 2.91Å |
| 141 | I | 86.9 | Confident | 85.6 | Confident | 69 Ų | 69 | 44.3 Ų | 44.3 | 35% | 0.354 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.9 | -48 | 176.5 | -68.3 | 164.3 | 0 | 0 | 0 | 110.6 | W12 V15 F19 L137 N139 V143 A144 | W12-I141 HydrophobicContact CH2-CD1 4.39Å; W12-I141 HydrophobicContact CZ3-CD1 3.79Å; V15-I141 HydrophobicContact CG1-CB 3.9Å; V15-I141 HydrophobicContact CG1-CG2 3.66Å; F19-I141 WeakPolarHBondContact CD2-O 3.48Å; L137-I141 HydrophobicContact CD1-CD1 3.83Å; L137-I141 HydrophobicContact CD1-CG1 4.25Å; L137-I141 HydrophobicContact CG-CD1 3.91Å; L137-I141 WeakPolarHBondContact O-CG1 3.27Å; L137-I141 PolarHBondContact O-N 2.99Å; N139-I141 PolarHBondContact O-N 3.01Å; I141-V143 VanDerWaalsContact C-N 3.27Å; I141-V143 PolarHBondContact O-N 2.89Å; I141-A144 WeakPolarHBondContact O-CB 3.35Å; I141-A144 PolarHBondContact O-N 2.9Å |
| 142 | S | 88.9 | Confident | 86.3 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55 | -45.4 | 177.9 | -179.6 | 0 | 0 | 0 | 0 | 111.5 | G18 F19 N22 A138 N139 | G18-S142 WeakPolarHBondContact CA-OG 3.44Å; F19-S142 WeakPolarHBondContact CA-O 3.46Å; N22-S142 WeakPolarHBondContact CB-O 3.37Å; N22-S142 PolarHBondContact ND2-O 3.22Å; N22-S142 PolarHBondContact ND2-OG 3.17Å; A138-S142 WeakPolarHBondContact O-CB 3.46Å; A138-S142 PolarHBondContact O-N 3.36Å; N139-S142 PolarHBondContact O-N 2.89Å |
| 143 | V | 88 | Confident | 87 | Confident | 31 Ų | 31 | 43 Ų | 43 | 19% | 0.188 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -77.4 | -23.7 | -176.7 | 170.2 | 0 | 0 | 0 | 0 | 112.8 | N139 G140 I141 G145 V146 R356 | N139-V143 VanDerWaalsContact O-CB 3.26Å; N139-V143 WeakPolarHBondContact O-CB 3.48Å; N139-V143 VanDerWaalsContact O-CG2 3.26Å; N139-V143 WeakPolarHBondContact O-CG2 3.43Å; N139-V143 PolarHBondContact O-N 2.89Å; G140-V143 PolarHBondContact O-N 3.32Å; I141-V143 VanDerWaalsContact C-N 3.27Å; I141-V143 PolarHBondContact O-N 2.89Å; V143-G145 PolarHBondContact O-N 2.69Å; V143-G145 VanDerWaalsContact O-N 3.12Å; V143-V146 WeakPolarHBondContact O-CB 3.48Å; V143-V146 WeakPolarHBondContact O-CG2 3.35Å; V143-V146 PolarHBondContact O-N 3.33Å; V143-R356 PolarHBondContact O-NH1 3.25Å |
| 144 | A | 89.3 | Confident | 87.8 | Confident | 14 Ų | 14 | 33.7 Ų | 33.7 | 12% | 0.116 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.8 | -23.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G140 I141 V146 S147 V148 L353 | G140-A144 WeakPolarHBondContact O-CB 3.46Å; G140-A144 PolarHBondContact O-N 2.91Å; I141-A144 WeakPolarHBondContact O-CB 3.35Å; I141-A144 PolarHBondContact O-N 2.9Å; A144-V146 PolarHBondContact O-N 3.3Å; A144-S147 PolarHBondContact O-N 3.41Å; A144-S147 PolarHBondContact O-OG 3.12Å; A144-V148 PolarHBondContact O-N 3.45Å; A144-L353 HydrophobicContact CB-CD1 3.84Å |
| 145 | G | 93.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -53.7 | -33.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F19 N22 V23 V143 S147 V148 G149 | F19-G145 VanDerWaalsContact CE2-CA 3.48Å; N22-G145 CarbonylContact O-C 3.33Å; V23-G145 VanDerWaalsContact CA-O 3.23Å; V23-G145 WeakPolarHBondContact CA-O 3.28Å; V23-G145 WeakPolarHBondContact CG2-O 3.41Å; V143-G145 PolarHBondContact O-N 2.69Å; V143-G145 VanDerWaalsContact O-N 3.12Å; G145-S147 PolarHBondContact O-N 2.93Å; G145-V148 PolarHBondContact O-N 3.41Å; G145-G149 PolarHBondContact O-N 3.01Å |
| 146 | V | 93.1 | Very high | 89.7 | Confident | 14 Ų | 14 | 31.8 Ų | 31.8 | 9% | 0.085 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.2 | -49.9 | 178.4 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | N22 V143 A144 G149 Q150 | N22-V146 HydrophobicContact CB-CG2 3.91Å; N22-V146 WeakPolarHBondContact O-CA 3.26Å; N22-V146 PolarHBondContact O-N 3.21Å; V143-V146 WeakPolarHBondContact O-CB 3.48Å; V143-V146 WeakPolarHBondContact O-CG2 3.35Å; V143-V146 PolarHBondContact O-N 3.33Å; A144-V146 PolarHBondContact O-N 3.3Å; V146-G149 PolarHBondContact O-N 2.96Å; V146-Q150 PolarHBondContact O-N 3.42Å |
| 147 | S | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.7 | -39.6 | 179.4 | 8.7 | 0 | 0 | 0 | 0 | 112.1 | A144 G145 G149 Q150 M151 G349 D352 L353 | A144-S147 PolarHBondContact O-N 3.41Å; A144-S147 PolarHBondContact O-OG 3.12Å; G145-S147 PolarHBondContact O-N 2.93Å; S147-G149 VanDerWaalsContact C-N 3.34Å; S147-Q150 WeakPolarHBondContact O-CB 3.14Å; S147-Q150 PolarHBondContact O-N 2.9Å; S147-M151 WeakPolarHBondContact O-CG 3.26Å; S147-M151 PolarHBondContact O-N 2.87Å; S147-M151 VanDerWaalsContact O-N 3.08Å; S147-G349 WeakPolarHBondContact CB-O 3.46Å; S147-D352 VanDerWaalsContact CB-OD2 3.29Å; S147-D352 WeakPolarHBondContact CB-OD2 3.39Å; S147-L353 WeakPolarHBondContact OG-CD1 3.37Å |
| 148 | V | 95.1 | Very high | 91.9 | Very high | 45 Ų | 45 | 25.2 Ų | 25.2 | 27% | 0.273 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.5 | -41.1 | 174.4 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | F19 V23 A144 G145 Q150 M151 V152 | F19-V148 HydrophobicContact CE2-CG2 4.32Å; F19-V148 HydrophobicContact CZ-CB 4.29Å; F19-V148 HydrophobicContact CZ-CG1 4.45Å; F19-V148 HydrophobicContact CZ-CG2 4.02Å; V23-V148 HydrophobicContact CG2-CB 4.25Å; V23-V148 HydrophobicContact CG2-CG1 4.31Å; A144-V148 PolarHBondContact O-N 3.45Å; G145-V148 PolarHBondContact O-N 3.41Å; V148-Q150 VanDerWaalsContact C-N 3.34Å; V148-Q150 PolarHBondContact O-N 3.4Å; V148-M151 PolarHBondContact O-N 3.23Å; V148-M151 VanDerWaalsContact O-N 3.15Å; V148-V152 HydrophobicContact CG1-CG2 4.45Å; V148-V152 WeakPolarHBondContact O-CG2 3.49Å; V148-V152 PolarHBondContact O-N 3.44Å; V148-V152 VanDerWaalsContact O-N 3.12Å |
| 149 | G | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.7 | -47.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | V23 G27 G145 V146 S147 M151 V152 F153 | V23-G149 WeakPolarHBondContact O-CA 3.27Å; G27-G149 VanDerWaalsContact CA-C 3.42Å; G27-G149 WeakPolarHBondContact CA-O 3.43Å; G145-G149 PolarHBondContact O-N 3.01Å; V146-G149 PolarHBondContact O-N 2.96Å; S147-G149 VanDerWaalsContact C-N 3.34Å; G149-M151 PolarHBondContact O-N 2.88Å; G149-V152 PolarHBondContact O-N 3.35Å; G149-F153 WeakPolarHBondContact O-CB 3.28Å; G149-F153 WeakPolarHBondContact O-CD2 3.28Å; G149-F153 PolarHBondContact O-N 2.94Å |
| 150 | Q | 95.1 | Very high | 93.3 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.019 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.7 | -29.1 | 176.7 | -178 | 175.3 | -7.2 | 0 | 0 | 113.1 | K30 V146 S147 V148 P154 I345 | K30-Q150 HydrophobicContact CB-CB 4.08Å; K30-Q150 HydrophobicContact CB-CG 3.92Å; K30-Q150 HydrophobicContact CG-CB 4.31Å; K30-Q150 HydrophobicContact CG-CG 4.32Å; V146-Q150 PolarHBondContact O-N 3.42Å; S147-Q150 WeakPolarHBondContact O-CB 3.14Å; S147-Q150 PolarHBondContact O-N 2.9Å; V148-Q150 VanDerWaalsContact C-N 3.34Å; V148-Q150 PolarHBondContact O-N 3.4Å; Q150-P154 WeakPolarHBondContact O-CD 3.43Å; Q150-P154 WeakPolarHBondContact O-CG 3.44Å; Q150-I345 HydrophobicContact CG-CG2 3.95Å |
| 151 | M | 95.3 | Very high | 93.9 | Very high | 63 Ų | 63 | 27.8 Ų | 27.8 | 31% | 0.31 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -77.1 | -36.7 | 175.9 | -65.6 | 168.2 | 66.4 | 0 | 0 | 113.2 | S147 V148 G149 I350 | S147-M151 WeakPolarHBondContact O-CG 3.26Å; S147-M151 PolarHBondContact O-N 2.87Å; S147-M151 VanDerWaalsContact O-N 3.08Å; V148-M151 PolarHBondContact O-N 3.23Å; V148-M151 VanDerWaalsContact O-N 3.15Å; G149-M151 PolarHBondContact O-N 2.88Å; M151-I350 HydrophobicContact CE-CD1 4.22Å; M151-I350 HydrophobicContact CE-CG1 3.61Å; M151-I350 HydrophobicContact CG-CG1 4.48Å; M151-I350 HydrophobicContact SD-CG1 3.99Å |
| 152 | V | 96.2 | Very high | 94.3 | Very high | 76 Ų | 76 | 29.4 Ų | 29.4 | 46% | 0.461 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -91.1 | -44.7 | -170.6 | 175.9 | 0 | 0 | 0 | 0 | 112.3 | V148 G149 P154 S155 L156 | V148-V152 HydrophobicContact CG1-CG2 4.45Å; V148-V152 WeakPolarHBondContact O-CG2 3.49Å; V148-V152 PolarHBondContact O-N 3.44Å; V148-V152 VanDerWaalsContact O-N 3.12Å; G149-V152 PolarHBondContact O-N 3.35Å; V152-P154 VanDerWaalsContact C-CD 3.48Å; V152-S155 PolarHBondContact O-N 3.31Å; V152-L156 PolarHBondContact O-N 3.32Å |
| 153 | F | 96.2 | Very high | 94.6 | Very high | 8 Ų | 8 | 33.4 Ų | 33.4 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.6 | -34.7 | -169.8 | -85.2 | -116.7 | 0 | 0 | 0 | 115.2 | V23 V24 G27 L28 S31 G149 S155 L156 I157 M173 I176 | V23-F153 HydrophobicContact CG1-CE2 4.09Å; V24-F153 HydrophobicContact CB-CZ 4.42Å; V24-F153 HydrophobicContact CG1-CZ 4.48Å; V24-F153 HydrophobicContact CG2-CZ 4.41Å; G27-F153 VanDerWaalsContact CA-CG 3.4Å; G27-F153 WeakPolarHBondContact O-CB 3.33Å; L28-F153 HydrophobicContact CD2-CD1 4.18Å; L28-F153 HydrophobicContact CD2-CE1 4Å; L28-F153 HydrophobicContact CG-CD1 4.21Å; L28-F153 HydrophobicContact CG-CE1 3.81Å; S31-F153 WeakPolarHBondContact OG-CB 3.37Å; G149-F153 WeakPolarHBondContact O-CB 3.28Å; G149-F153 WeakPolarHBondContact O-CD2 3.28Å; G149-F153 PolarHBondContact O-N 2.94Å; F153-S155 PolarHBondContact O-N 3.33Å; F153-L156 PolarHBondContact O-N 3.42Å; F153-I157 HydrophobicContact CB-CD1 4.15Å; F153-I157 HydrophobicContact CD1-CD1 4.24Å; F153-I157 WeakPolarHBondContact O-CB 3.36Å; F153-I157 WeakPolarHBondContact O-CG1 3.22Å; F153-I157 PolarHBondContact O-N 3.4Å; F153-M173 HydrophobicContact CD1-CE 3.56Å; F153-M173 HydrophobicContact CE1-CE 3.43Å; F153-M173 VanDerWaalsContact CE1-CE 3.43Å; F153-I176 HydrophobicContact CZ-CG2 4.36Å |
| 154 | P | 95.2 | Very high | 95 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.2 | -46.9 | 179.1 | -26.3 | 34.5 | 0 | 0 | 0 | 112.7 | S31 L34 Q150 V152 T158 N342 I345 | S31-P154 WeakPolarHBondContact OG-CD 3.44Å; S31-P154 WeakPolarHBondContact OG-CG 3.49Å; L34-P154 HydrophobicContact CD1-CB 3.8Å; Q150-P154 WeakPolarHBondContact O-CD 3.43Å; Q150-P154 WeakPolarHBondContact O-CG 3.44Å; V152-P154 VanDerWaalsContact C-CD 3.48Å; P154-T158 WeakPolarHBondContact O-CB 3.33Å; P154-T158 PolarHBondContact O-N 3.14Å; P154-T158 PolarHBondContact O-OG1 2.88Å; P154-N342 HydrophobicContact CB-CB 4.13Å; P154-N342 WeakPolarHBondContact CB-OD1 3.42Å; P154-N342 PolarHBondContact O-OD1 2.91Å; P154-I345 HydrophobicContact CB-CB 4.29Å; P154-I345 HydrophobicContact CB-CD1 4.1Å; P154-I345 HydrophobicContact CB-CG2 4.35Å; P154-I345 HydrophobicContact CG-CB 3.86Å; P154-I345 HydrophobicContact CG-CD1 4.26Å; P154-I345 HydrophobicContact CG-CG2 3.44Å; P154-I345 VanDerWaalsContact CG-CG2 3.44Å |
| 155 | S | 95.6 | Very high | 95.3 | Very high | 56 Ų | 56 | 39.7 Ų | 39.7 | 39% | 0.392 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.3 | -40.3 | 177.3 | -62.1 | 0 | 0 | 0 | 0 | 111.3 | V152 F153 T159 | V152-S155 PolarHBondContact O-N 3.31Å; F153-S155 PolarHBondContact O-N 3.33Å; S155-T159 VanDerWaalsContact O-CB 3.31Å; S155-T159 WeakPolarHBondContact O-CB 3.4Å; S155-T159 PolarHBondContact O-N 3.48Å; S155-T159 PolarHBondContact O-OG1 3.08Å |
| 156 | L | 96.4 | Very high | 95.4 | Very high | 55 Ų | 55 | 40.2 Ų | 40.2 | 29% | 0.288 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.3 | -54.7 | 177.2 | 179 | 60.1 | 0 | 0 | 0 | 111.6 | V152 F153 T158 T159 L160 M173 I176 | V152-L156 PolarHBondContact O-N 3.32Å; F153-L156 PolarHBondContact O-N 3.42Å; L156-T158 PolarHBondContact O-N 2.92Å; L156-T159 PolarHBondContact O-N 3.01Å; L156-L160 HydrophobicContact CD1-CD1 3.91Å; L156-L160 HydrophobicContact CD1-CG 4.12Å; L156-L160 HydrophobicContact CG-CD1 3.97Å; L156-L160 WeakPolarHBondContact O-CB 3.18Å; L156-L160 VanDerWaalsContact O-CG 3.23Å; L156-L160 WeakPolarHBondContact O-CG 3.4Å; L156-L160 PolarHBondContact O-N 3.16Å; L156-M173 HydrophobicContact CD2-SD 4.3Å; L156-M173 HydrophobicContact CG-SD 4.35Å; L156-I176 HydrophobicContact CD2-CD1 3.87Å |
| 157 | I | 96.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.1 | -45.8 | -178.4 | -70.7 | 162.2 | 0 | 0 | 0 | 110.5 | S31 L34 V35 F153 T159 L160 N161 M173 | S31-I157 VanDerWaalsContact CB-CD1 3.5Å; L34-I157 HydrophobicContact CB-CG2 3.88Å; V35-I157 HydrophobicContact CG2-CD1 3.93Å; V35-I157 HydrophobicContact CG2-CG1 4.33Å; V35-I157 HydrophobicContact CG2-CG2 3.86Å; F153-I157 HydrophobicContact CB-CD1 4.15Å; F153-I157 HydrophobicContact CD1-CD1 4.24Å; F153-I157 WeakPolarHBondContact O-CB 3.36Å; F153-I157 WeakPolarHBondContact O-CG1 3.22Å; F153-I157 PolarHBondContact O-N 3.4Å; I157-T159 PolarHBondContact O-N 3.45Å; I157-L160 PolarHBondContact O-N 2.9Å; I157-N161 WeakPolarHBondContact O-CB 3.33Å; I157-N161 VanDerWaalsContact O-CG 3.22Å; I157-N161 PolarHBondContact O-N 3.44Å; I157-M173 HydrophobicContact CD1-CE 4.27Å; I157-M173 HydrophobicContact CG1-CE 3.87Å; I157-M173 HydrophobicContact CG1-SD 4.04Å |
| 158 | T | 95 | Very high | 95.7 | Very high | 20 Ų | 20 | 45.6 Ų | 45.6 | 12% | 0.123 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 178 | -59 | 0 | 0 | 0 | 0 | 111.7 | P154 L156 L160 N161 T162 N342 | P154-T158 WeakPolarHBondContact O-CB 3.33Å; P154-T158 PolarHBondContact O-N 3.14Å; P154-T158 PolarHBondContact O-OG1 2.88Å; L156-T158 PolarHBondContact O-N 2.92Å; T158-L160 VanDerWaalsContact C-N 3.31Å; T158-L160 PolarHBondContact O-N 3.25Å; T158-N161 PolarHBondContact O-N 3.49Å; T158-T162 HydrophobicContact CG2-CG2 4.31Å; T158-T162 WeakPolarHBondContact O-CB 3.23Å; T158-T162 VanDerWaalsContact O-CG2 3.26Å; T158-T162 WeakPolarHBondContact O-CG2 3.44Å; T158-T162 PolarHBondContact O-N 3.03Å; T158-T162 PolarHBondContact O-OG1 3.05Å; T158-N342 WeakPolarHBondContact CB-ND2 3.31Å; T158-N342 WeakPolarHBondContact CG2-ND2 3.48Å; T158-N342 PolarHBondContact OG1-ND2 3.33Å; T158-N342 PolarHBondContact OG1-OD1 2.9Å; T158-N342 VanDerWaalsContact OG1-OD1 3.07Å |
| 159 | T | 96.2 | Very high | 95.8 | Very high | 80 Ų | 80 | 43.5 Ų | 43.5 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.7 | -40.3 | 178.1 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | S155 L156 I157 T162 T163 | S155-T159 VanDerWaalsContact O-CB 3.31Å; S155-T159 WeakPolarHBondContact O-CB 3.4Å; S155-T159 PolarHBondContact O-N 3.48Å; S155-T159 PolarHBondContact O-OG1 3.08Å; L156-T159 PolarHBondContact O-N 3.01Å; I157-T159 PolarHBondContact O-N 3.45Å; T159-T162 WeakPolarHBondContact CA-OG1 3.31Å; T159-T162 PolarHBondContact O-OG1 2.95Å; T159-T163 VanDerWaalsContact O-CB 3.23Å; T159-T163 WeakPolarHBondContact O-CB 3.25Å; T159-T163 PolarHBondContact O-N 2.95Å; T159-T163 PolarHBondContact O-OG1 3.03Å |
| 160 | L | 96.3 | Very high | 95.8 | Very high | 14 Ų | 14 | 43.7 Ų | 43.7 | 7% | 0.073 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.5 | -44.9 | 177.2 | -70.4 | 176.7 | 0 | 0 | 0 | 112 | L156 I157 T158 T163 Y164 I172 M173 | L156-L160 HydrophobicContact CD1-CD1 3.91Å; L156-L160 HydrophobicContact CD1-CG 4.12Å; L156-L160 HydrophobicContact CG-CD1 3.97Å; L156-L160 WeakPolarHBondContact O-CB 3.18Å; L156-L160 VanDerWaalsContact O-CG 3.23Å; L156-L160 WeakPolarHBondContact O-CG 3.4Å; L156-L160 PolarHBondContact O-N 3.16Å; I157-L160 PolarHBondContact O-N 2.9Å; T158-L160 VanDerWaalsContact C-N 3.31Å; T158-L160 PolarHBondContact O-N 3.25Å; L160-T163 PolarHBondContact O-N 3.07Å; L160-Y164 HydrophobicContact CD2-CD2 3.99Å; L160-Y164 HydrophobicContact CD2-CE2 4.05Å; L160-Y164 WeakPolarHBondContact O-CB 3.34Å; L160-Y164 PolarHBondContact O-N 3.24Å; L160-I172 HydrophobicContact CD1-CB 4.27Å; L160-I172 HydrophobicContact CD1-CG2 3.92Å; L160-I172 HydrophobicContact CD2-CB 4.17Å; L160-I172 HydrophobicContact CD2-CD1 3.75Å; L160-I172 HydrophobicContact CD2-CG2 3.79Å; L160-M173 HydrophobicContact CD1-CG 3.94Å; L160-M173 HydrophobicContact CD1-SD 3.4Å; L160-M173 WeakPolarHBondContact CD1-SD 3.32Å |
| 161 | N | 94.6 | Very high | 95.9 | Very high | 31 Ų | 31 | 46.3 Ų | 46.3 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 178.8 | -71.8 | -11.3 | 0 | 0 | 0 | 111.7 | L34 A38 I157 T158 G165 | L34-N161 PolarHBondContact O-ND2 3.35Å; A38-N161 VanDerWaalsContact CB-ND2 3.34Å; A38-N161 WeakPolarHBondContact CB-ND2 3.37Å; I157-N161 WeakPolarHBondContact O-CB 3.33Å; I157-N161 VanDerWaalsContact O-CG 3.22Å; I157-N161 PolarHBondContact O-N 3.44Å; T158-N161 PolarHBondContact O-N 3.49Å; N161-G165 CarbonylContact O-C 3.53Å; N161-G165 WeakPolarHBondContact O-CA 3.18Å; N161-G165 PolarHBondContact O-N 2.85Å |
| 162 | T | 93.8 | Very high | 96 | Very high | 103 Ų | 103 | 46 Ų | 46 | 63% | 0.632 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -71.1 | -32.8 | 178.1 | 49.9 | 0 | 0 | 0 | 0 | 113.1 | T158 T159 | T158-T162 HydrophobicContact CG2-CG2 4.31Å; T158-T162 WeakPolarHBondContact O-CB 3.23Å; T158-T162 VanDerWaalsContact O-CG2 3.26Å; T158-T162 WeakPolarHBondContact O-CG2 3.44Å; T158-T162 PolarHBondContact O-N 3.03Å; T158-T162 PolarHBondContact O-OG1 3.05Å; T159-T162 WeakPolarHBondContact CA-OG1 3.31Å; T159-T162 PolarHBondContact O-OG1 2.95Å |
| 163 | T | 96.7 | Very high | 95.9 | Very high | 88 Ų | 88 | 42.7 Ų | 42.7 | 54% | 0.54 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -89.7 | -38.4 | -175.5 | -54.2 | 0 | 0 | 0 | 0 | 113 | T159 L160 | T159-T163 VanDerWaalsContact O-CB 3.23Å; T159-T163 WeakPolarHBondContact O-CB 3.25Å; T159-T163 PolarHBondContact O-N 2.95Å; T159-T163 PolarHBondContact O-OG1 3.03Å; L160-T163 PolarHBondContact O-N 3.07Å |
| 164 | Y | 96.1 | Very high | 96 | Very high | 141 Ų | 141 | 42.3 Ų | 42.3 | 55% | 0.553 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -117.9 | 2.6 | -173.1 | -58.6 | -74.2 | 0 | 0 | 0 | 113.5 | L160 G168 I172 | L160-Y164 HydrophobicContact CD2-CD2 3.99Å; L160-Y164 HydrophobicContact CD2-CE2 4.05Å; L160-Y164 WeakPolarHBondContact O-CB 3.34Å; L160-Y164 PolarHBondContact O-N 3.24Å; Y164-G168 WeakPolarHBondContact O-CA 3.36Å; Y164-G168 PolarHBondContact O-N 3.36Å; Y164-I172 HydrophobicContact CD1-CD1 4.43Å; Y164-I172 HydrophobicContact CD2-CD1 3.43Å; Y164-I172 VanDerWaalsContact CD2-CD1 3.43Å; Y164-I172 HydrophobicContact CE2-CD1 3.54Å; Y164-I172 HydrophobicContact CG-CD1 3.9Å |
| 165 | G | 95.3 | Very high | 96.1 | Very high | 35 Ų | 35 | 44.5 Ų | 44.5 | 36% | 0.361 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | 70.5 | 171.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N161 R167 G168 G169 | N161-G165 CarbonylContact O-C 3.53Å; N161-G165 WeakPolarHBondContact O-CA 3.18Å; N161-G165 PolarHBondContact O-N 2.85Å; G165-R167 VanDerWaalsContact C-N 3.31Å; G165-R167 PolarHBondContact O-N 2.85Å; G165-G168 PolarHBondContact O-N 3.28Å; G165-G169 PolarHBondContact O-N 3.27Å |
| 166 | A | 95.1 | Very high | 96.1 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 10% | 0.099 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.4 | -41.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A38 F39 V42 G170 | A38-A166 HydrophobicContact CB-CB 3.74Å; F39-A166 HydrophobicContact CD2-CB 4.38Å; F39-A166 HydrophobicContact CE2-CB 4.25Å; F39-A166 HydrophobicContact CZ-CB 4.36Å; V42-A166 HydrophobicContact CG2-CB 3.82Å; A166-G170 PolarHBondContact O-N 3.06Å |
| 167 | R | 96.5 | Very high | 96.1 | Very high | 101 Ų | 101 | 40.9 Ų | 40.9 | 38% | 0.381 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.6 | -49.9 | 180 | -63.1 | -177.2 | 175.8 | -103.4 | -4.9 | 111.8 | F39 S96 S98 G165 G170 V171 | F39-R167 HydrophobicContact CE1-CG 4.5Å; S96-R167 WeakPolarHBondContact O-CB 3.36Å; S96-R167 WeakPolarHBondContact O-CG 3.46Å; S98-R167 PolarHBondContact O-NH1 3.33Å; S98-R167 PolarHBondContact O-NH2 3.18Å; G165-R167 VanDerWaalsContact C-N 3.31Å; G165-R167 PolarHBondContact O-N 2.85Å; R167-G170 PolarHBondContact O-N 3.46Å; R167-V171 WeakPolarHBondContact O-CG2 3.24Å; R167-V171 PolarHBondContact O-N 3.06Å; R167-V171 VanDerWaalsContact O-N 3.11Å |
| 168 | G | 96.9 | Very high | 96 | Very high | 26 Ų | 26 | 43.4 Ų | 43.4 | 27% | 0.268 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y164 G165 G170 V171 I172 | Y164-G168 WeakPolarHBondContact O-CA 3.36Å; Y164-G168 PolarHBondContact O-N 3.36Å; G165-G168 PolarHBondContact O-N 3.28Å; G168-G170 PolarHBondContact O-N 3.5Å; G168-V171 PolarHBondContact O-N 2.92Å; G168-I172 PolarHBondContact O-N 2.89Å |
| 169 | G | 96.5 | Very high | 96 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.2 | -44 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G165 V171 I172 M173 | G165-G169 PolarHBondContact O-N 3.27Å; G169-V171 VanDerWaalsContact C-N 3.35Å; G169-V171 PolarHBondContact O-N 2.83Å; G169-I172 PolarHBondContact O-N 3.31Å; G169-M173 WeakPolarHBondContact O-CG 3.3Å; G169-M173 PolarHBondContact O-N 3.25Å |
| 170 | G | 95.8 | Very high | 96 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.6 | -40.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S96 A166 R167 G168 I172 M173 A174 | S96-G170 WeakPolarHBondContact OG-CA 3.47Å; S96-G170 PolarHBondContact OG-O 2.7Å; A166-G170 PolarHBondContact O-N 3.06Å; R167-G170 PolarHBondContact O-N 3.46Å; G168-G170 PolarHBondContact O-N 3.5Å; G170-I172 PolarHBondContact O-N 3.45Å; G170-M173 PolarHBondContact O-N 3.45Å; G170-A174 PolarHBondContact O-N 3.32Å |
| 171 | V | 97.5 | Very high | 96 | Very high | 60 Ų | 60 | 45.2 Ų | 45.2 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 175.9 | 174 | 0 | 0 | 0 | 0 | 111.3 | L93 S96 R167 G168 G169 A174 A175 | L93-V171 HydrophobicContact CD1-CG1 4.2Å; L93-V171 HydrophobicContact CD1-CG2 4.16Å; S96-V171 PolarHBondContact OG-N 2.94Å; R167-V171 WeakPolarHBondContact O-CG2 3.24Å; R167-V171 PolarHBondContact O-N 3.06Å; R167-V171 VanDerWaalsContact O-N 3.11Å; G168-V171 PolarHBondContact O-N 2.92Å; G169-V171 VanDerWaalsContact C-N 3.35Å; G169-V171 PolarHBondContact O-N 2.83Å; V171-A174 WeakPolarHBondContact O-CB 3.48Å; V171-A174 PolarHBondContact O-N 3.03Å; V171-A175 PolarHBondContact O-N 3.26Å |
| 172 | I | 97.4 | Very high | 96 | Very high | 56 Ų | 56 | 47.5 Ų | 47.5 | 29% | 0.287 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 176.8 | -63.9 | 167.1 | 0 | 0 | 0 | 110.4 | L160 Y164 G168 G169 G170 A174 A175 I176 | L160-I172 HydrophobicContact CD1-CB 4.27Å; L160-I172 HydrophobicContact CD1-CG2 3.92Å; L160-I172 HydrophobicContact CD2-CB 4.17Å; L160-I172 HydrophobicContact CD2-CD1 3.75Å; L160-I172 HydrophobicContact CD2-CG2 3.79Å; Y164-I172 HydrophobicContact CD1-CD1 4.43Å; Y164-I172 HydrophobicContact CD2-CD1 3.43Å; Y164-I172 VanDerWaalsContact CD2-CD1 3.43Å; Y164-I172 HydrophobicContact CE2-CD1 3.54Å; Y164-I172 HydrophobicContact CG-CD1 3.9Å; G168-I172 PolarHBondContact O-N 2.89Å; G169-I172 PolarHBondContact O-N 3.31Å; G170-I172 PolarHBondContact O-N 3.45Å; I172-A174 VanDerWaalsContact C-N 3.29Å; I172-A174 PolarHBondContact O-N 3.41Å; I172-A175 WeakPolarHBondContact O-CB 3.24Å; I172-A175 PolarHBondContact O-N 3.49Å; I172-A175 VanDerWaalsContact O-N 3.15Å; I172-I176 HydrophobicContact CG2-CD1 4.24Å; I172-I176 WeakPolarHBondContact O-CG1 3.4Å; I172-I176 PolarHBondContact O-N 3.43Å |
| 173 | M | 95.4 | Very high | 96 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.6 | -35.8 | 173.7 | -66.6 | -54.7 | -63.8 | 0 | 0 | 112.3 | L28 L92 F153 L156 I157 L160 G169 G170 I176 C177 | L28-M173 HydrophobicContact CD2-CE 3.4Å; L28-M173 HydrophobicContact CG-CE 4.43Å; L92-M173 HydrophobicContact CD2-CB 3.68Å; F153-M173 HydrophobicContact CD1-CE 3.56Å; F153-M173 HydrophobicContact CE1-CE 3.43Å; F153-M173 VanDerWaalsContact CE1-CE 3.43Å; L156-M173 HydrophobicContact CD2-SD 4.3Å; L156-M173 HydrophobicContact CG-SD 4.35Å; I157-M173 HydrophobicContact CD1-CE 4.27Å; I157-M173 HydrophobicContact CG1-CE 3.87Å; I157-M173 HydrophobicContact CG1-SD 4.04Å; L160-M173 HydrophobicContact CD1-CG 3.94Å; L160-M173 HydrophobicContact CD1-SD 3.4Å; L160-M173 WeakPolarHBondContact CD1-SD 3.32Å; G169-M173 WeakPolarHBondContact O-CG 3.3Å; G169-M173 PolarHBondContact O-N 3.25Å; G170-M173 PolarHBondContact O-N 3.45Å; M173-I176 HydrophobicContact CE-CD1 4.44Å; M173-I176 PolarHBondContact O-N 3.02Å; M173-I176 HydrophobicContact SD-CD1 3.7Å; M173-C177 PolarHBondContact O-N 2.9Å; M173-C177 VanDerWaalsContact O-N 3.13Å; M173-C177 PolarHBondContact O-SG 3.4Å |
| 174 | A | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.7 | -48.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | F89 L92 L93 G170 V171 I172 I176 C177 | F89-A174 HydrophobicContact CD2-CB 3.95Å; F89-A174 WeakPolarHBondContact CD2-O 3.48Å; F89-A174 HydrophobicContact CE2-CB 4.28Å; L92-A174 HydrophobicContact CB-CB 3.82Å; L92-A174 HydrophobicContact CD2-CB 4.4Å; L92-A174 HydrophobicContact CG-CB 4.11Å; L93-A174 HydrophobicContact CB-CB 4.25Å; G170-A174 PolarHBondContact O-N 3.32Å; V171-A174 WeakPolarHBondContact O-CB 3.48Å; V171-A174 PolarHBondContact O-N 3.03Å; I172-A174 VanDerWaalsContact C-N 3.29Å; I172-A174 PolarHBondContact O-N 3.41Å; A174-I176 VanDerWaalsContact C-N 3.28Å; A174-I176 PolarHBondContact O-N 2.83Å; A174-C177 WeakPolarHBondContact O-CA 3.23Å; A174-C177 VanDerWaalsContact O-CB 3.23Å; A174-C177 WeakPolarHBondContact O-CB 3.41Å; A174-C177 PolarHBondContact O-N 3.23Å |
| 175 | A | 97.3 | Very high | 95.6 | Very high | 47 Ų | 47 | 35.1 Ų | 35.1 | 39% | 0.388 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.9 | -36.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V171 I172 C177 L178 | V171-A175 PolarHBondContact O-N 3.26Å; I172-A175 WeakPolarHBondContact O-CB 3.24Å; I172-A175 PolarHBondContact O-N 3.49Å; I172-A175 VanDerWaalsContact O-N 3.15Å; A175-C177 VanDerWaalsContact C-N 3.27Å; A175-C177 PolarHBondContact O-N 3Å; A175-L178 WeakPolarHBondContact O-CB 3.26Å; A175-L178 PolarHBondContact O-N 2.69Å; A175-L178 VanDerWaalsContact O-N 3.13Å |
| 176 | I | 96.1 | Very high | 95.5 | Very high | 34 Ų | 34 | 35.6 Ų | 35.6 | 17% | 0.174 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.5 | -38.3 | 173.3 | -69.6 | 160.6 | 0 | 0 | 0 | 111 | F153 L156 I172 M173 A174 L178 H179 | F153-I176 HydrophobicContact CZ-CG2 4.36Å; L156-I176 HydrophobicContact CD2-CD1 3.87Å; I172-I176 HydrophobicContact CG2-CD1 4.24Å; I172-I176 WeakPolarHBondContact O-CG1 3.4Å; I172-I176 PolarHBondContact O-N 3.43Å; M173-I176 HydrophobicContact CE-CD1 4.44Å; M173-I176 PolarHBondContact O-N 3.02Å; M173-I176 HydrophobicContact SD-CD1 3.7Å; A174-I176 VanDerWaalsContact C-N 3.28Å; A174-I176 PolarHBondContact O-N 2.83Å; I176-L178 PolarHBondContact O-N 3.27Å; I176-L178 VanDerWaalsContact O-N 3.16Å; I176-H179 VanDerWaalsContact O-CB 3.3Å; I176-H179 WeakPolarHBondContact O-CB 3.34Å; I176-H179 PolarHBondContact O-N 3.45Å; I176-H179 PolarHBondContact O-ND1 2.79Å |
| 177 | C | 95.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.7 | -25.5 | 176.6 | -63.9 | 0 | 0 | 0 | 0 | 113.4 | M173 A174 A175 H179 L180 | M173-C177 PolarHBondContact O-N 2.9Å; M173-C177 VanDerWaalsContact O-N 3.13Å; M173-C177 PolarHBondContact O-SG 3.4Å; A174-C177 WeakPolarHBondContact O-CA 3.23Å; A174-C177 VanDerWaalsContact O-CB 3.23Å; A174-C177 WeakPolarHBondContact O-CB 3.41Å; A174-C177 PolarHBondContact O-N 3.23Å; A175-C177 VanDerWaalsContact C-N 3.27Å; A175-C177 PolarHBondContact O-N 3Å; C177-H179 PolarHBondContact O-N 3.45Å; C177-L180 HydrophobicContact CB-CD1 4.31Å; C177-L180 WeakPolarHBondContact O-CB 3.43Å; C177-L180 WeakPolarHBondContact O-CD1 3.43Å; C177-L180 WeakPolarHBondContact O-CG 3.38Å; C177-L180 PolarHBondContact O-N 3.02Å |
| 178 | L | 96 | Very high | 94.9 | Very high | 54 Ų | 54 | 30.5 Ų | 30.5 | 28% | 0.283 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20.3 | 174.6 | -70.5 | 171.8 | 0 | 0 | 0 | 113.2 | F86 F89 A175 I176 L180 L181 | F86-L178 HydrophobicContact CD1-CD2 4.11Å; F86-L178 HydrophobicContact CE1-CD2 4.2Å; F89-L178 HydrophobicContact CB-CD2 3.7Å; F89-L178 HydrophobicContact CB-CG 3.96Å; F89-L178 HydrophobicContact CD1-CD2 3.98Å; F89-L178 HydrophobicContact CD1-CG 4.41Å; F89-L178 HydrophobicContact CD2-CD1 3.88Å; F89-L178 HydrophobicContact CD2-CD2 4.22Å; F89-L178 HydrophobicContact CD2-CG 3.78Å; F89-L178 HydrophobicContact CE2-CD1 3.98Å; F89-L178 HydrophobicContact CE2-CG 4.39Å; F89-L178 HydrophobicContact CG-CD1 4.15Å; F89-L178 HydrophobicContact CG-CD2 3.69Å; F89-L178 HydrophobicContact CG-CG 3.78Å; F89-L178 HydrophobicContact CZ-CD1 4.34Å; A175-L178 WeakPolarHBondContact O-CB 3.26Å; A175-L178 PolarHBondContact O-N 2.69Å; A175-L178 VanDerWaalsContact O-N 3.13Å; I176-L178 PolarHBondContact O-N 3.27Å; I176-L178 VanDerWaalsContact O-N 3.16Å; L178-L180 PolarHBondContact O-N 3.41Å; L178-L180 VanDerWaalsContact O-N 3.15Å; L178-L181 HydrophobicContact CD2-CD1 4.21Å; L178-L181 VanDerWaalsContact O-CB 3.26Å; L178-L181 WeakPolarHBondContact O-CB 3.36Å; L178-L181 WeakPolarHBondContact O-CG 3.33Å; L178-L181 PolarHBondContact O-N 2.84Å |
| 179 | H | 94.9 | Very high | 94.4 | Very high | 102 Ų | 102 | 38.1 Ų | 38.1 | 47% | 0.472 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -16.2 | 173.4 | -65.7 | 75.8 | 0 | 0 | 0 | 112.4 | I176 C177 L181 I182 | I176-H179 VanDerWaalsContact O-CB 3.3Å; I176-H179 WeakPolarHBondContact O-CB 3.34Å; I176-H179 PolarHBondContact O-N 3.45Å; I176-H179 PolarHBondContact O-ND1 2.79Å; C177-H179 PolarHBondContact O-N 3.45Å; H179-L181 PolarHBondContact O-N 3.42Å; H179-I182 HydrophobicContact CB-CD1 4.23Å; H179-I182 WeakPolarHBondContact O-CB 3.3Å; H179-I182 WeakPolarHBondContact O-CG1 3.16Å; H179-I182 PolarHBondContact O-N 2.96Å |
| 180 | L | 95.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.3 | -18.3 | 170.1 | -63.5 | 167.2 | 0 | 0 | 0 | 112.5 | A21 V24 L25 A85 I119 C177 L178 I182 T183 A184 | A21-L180 HydrophobicContact CB-CD2 4.09Å; V24-L180 HydrophobicContact CB-CD2 3.87Å; V24-L180 HydrophobicContact CB-CG 4.39Å; V24-L180 HydrophobicContact CG1-CD1 4.09Å; V24-L180 HydrophobicContact CG1-CD2 4.12Å; V24-L180 HydrophobicContact CG1-CG 4.14Å; V24-L180 HydrophobicContact CG2-CD2 4.29Å; L25-L180 HydrophobicContact CD1-CD1 4.21Å; L25-L180 HydrophobicContact CD1-CD2 3.71Å; A85-L180 HydrophobicContact CB-CB 3.65Å; I119-L180 HydrophobicContact CD1-CB 4.23Å; I119-L180 HydrophobicContact CD1-CD1 3.68Å; I119-L180 HydrophobicContact CD1-CD2 4.4Å; I119-L180 HydrophobicContact CD1-CG 4.31Å; C177-L180 HydrophobicContact CB-CD1 4.31Å; C177-L180 WeakPolarHBondContact O-CB 3.43Å; C177-L180 WeakPolarHBondContact O-CD1 3.43Å; C177-L180 WeakPolarHBondContact O-CG 3.38Å; C177-L180 PolarHBondContact O-N 3.02Å; L178-L180 PolarHBondContact O-N 3.41Å; L178-L180 VanDerWaalsContact O-N 3.15Å; L180-I182 PolarHBondContact O-N 3.27Å; L180-T183 VanDerWaalsContact O-CB 3.28Å; L180-T183 WeakPolarHBondContact O-CB 3.43Å; L180-T183 PolarHBondContact O-N 3.43Å; L180-A184 PolarHBondContact O-N 2.93Å |
| 181 | L | 96.1 | Very high | 93 | Very high | 48 Ų | 48 | 46.1 Ų | 46.1 | 25% | 0.251 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.8 | -27.5 | 170.6 | -67.1 | 171.5 | 0 | 0 | 0 | 112.5 | M82 A85 F86 L178 H179 T183 A184 A185 | M82-L181 HydrophobicContact CB-CD2 4.33Å; M82-L181 HydrophobicContact CG-CD2 4.23Å; A85-L181 HydrophobicContact CB-CD2 3.76Å; A85-L181 HydrophobicContact CB-CG 3.97Å; F86-L181 HydrophobicContact CD2-CD2 4.13Å; F86-L181 HydrophobicContact CE1-CD1 4.14Å; F86-L181 HydrophobicContact CE2-CD1 4.38Å; F86-L181 HydrophobicContact CE2-CD2 3.74Å; F86-L181 HydrophobicContact CZ-CD1 3.88Å; F86-L181 HydrophobicContact CZ-CD2 4.09Å; L178-L181 HydrophobicContact CD2-CD1 4.21Å; L178-L181 VanDerWaalsContact O-CB 3.26Å; L178-L181 WeakPolarHBondContact O-CB 3.36Å; L178-L181 WeakPolarHBondContact O-CG 3.33Å; L178-L181 PolarHBondContact O-N 2.84Å; H179-L181 PolarHBondContact O-N 3.42Å; L181-T183 VanDerWaalsContact C-N 3.26Å; L181-T183 PolarHBondContact O-N 3.48Å; L181-A184 PolarHBondContact O-N 2.77Å; L181-A185 PolarHBondContact O-N 3.14Å |
| 182 | I | 94.2 | Very high | 92.1 | Very high | 80 Ų | 80 | 46.7 Ų | 46.7 | 41% | 0.41 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.1 | -40.8 | 174.2 | -58.8 | 171.7 | 0 | 0 | 0 | 109.5 | H179 L180 A184 A185 L186 | H179-I182 HydrophobicContact CB-CD1 4.23Å; H179-I182 WeakPolarHBondContact O-CB 3.3Å; H179-I182 WeakPolarHBondContact O-CG1 3.16Å; H179-I182 PolarHBondContact O-N 2.96Å; L180-I182 PolarHBondContact O-N 3.27Å; I182-A184 VanDerWaalsContact C-N 3.34Å; I182-A184 PolarHBondContact O-N 2.8Å; I182-A185 PolarHBondContact O-N 3.29Å; I182-L186 HydrophobicContact CG2-CD1 3.89Å; I182-L186 HydrophobicContact CG2-CG 4.36Å; I182-L186 WeakPolarHBondContact O-CG 3.16Å; I182-L186 PolarHBondContact O-N 2.94Å |
| 183 | T | 93.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.4 | -46.1 | 175.1 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | G17 A21 V81 V123 L180 L181 A185 L186 M187 | G17-T183 WeakPolarHBondContact O-CB 3.28Å; G17-T183 VanDerWaalsContact O-CG2 3.22Å; G17-T183 WeakPolarHBondContact O-CG2 3.36Å; G17-T183 PolarHBondContact O-OG1 3.41Å; A21-T183 HydrophobicContact CB-CG2 3.88Å; A21-T183 WeakPolarHBondContact CB-OG1 3.41Å; A21-T183 PolarHBondContact N-OG1 3.47Å; V81-T183 HydrophobicContact CG1-CG2 4.25Å; V123-T183 HydrophobicContact CG2-CG2 3.71Å; L180-T183 VanDerWaalsContact O-CB 3.28Å; L180-T183 WeakPolarHBondContact O-CB 3.43Å; L180-T183 PolarHBondContact O-N 3.43Å; L181-T183 VanDerWaalsContact C-N 3.26Å; L181-T183 PolarHBondContact O-N 3.48Å; T183-A185 VanDerWaalsContact C-N 3.33Å; T183-A185 PolarHBondContact O-N 3.35Å; T183-L186 PolarHBondContact O-N 2.93Å; T183-M187 HydrophobicContact CG2-CE 4.09Å; T183-M187 WeakPolarHBondContact O-CG 3.45Å; T183-M187 PolarHBondContact O-N 3.49Å; T183-M187 VanDerWaalsContact O-N 3.14Å |
| 184 | A | 92.8 | Very high | 90.1 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.033 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | R78 V81 M82 L180 L181 I182 L186 M187 | R78-A184 WeakPolarHBondContact CG-O 3.35Å; V81-A184 HydrophobicContact CB-CB 4.06Å; V81-A184 HydrophobicContact CG1-CB 3.85Å; M82-A184 HydrophobicContact CG-CB 3.56Å; L180-A184 PolarHBondContact O-N 2.93Å; L181-A184 PolarHBondContact O-N 2.77Å; I182-A184 VanDerWaalsContact C-N 3.34Å; I182-A184 PolarHBondContact O-N 2.8Å; A184-L186 VanDerWaalsContact C-N 3.34Å; A184-L186 PolarHBondContact O-N 3.04Å; A184-M187 PolarHBondContact O-N 2.97Å |
| 185 | A | 93.1 | Very high | 89 | Confident | 66 Ų | 66 | 55.6 Ų | 55.6 | 55% | 0.545 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.3 | -37 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L181 I182 T183 | L181-A185 PolarHBondContact O-N 3.14Å; I182-A185 PolarHBondContact O-N 3.29Å; T183-A185 VanDerWaalsContact C-N 3.33Å; T183-A185 PolarHBondContact O-N 3.35Å |
| 186 | L | 93.1 | Very high | 87.7 | Confident | 45 Ų | 45 | 55.5 Ų | 55.5 | 24% | 0.236 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -79.4 | -22 | -179.3 | -70 | 174.2 | 0 | 0 | 0 | 114 | C13 V16 I182 T183 A184 | C13-L186 HydrophobicContact CB-CD2 4.34Å; V16-L186 HydrophobicContact CG1-CD1 4.25Å; I182-L186 HydrophobicContact CG2-CD1 3.89Å; I182-L186 HydrophobicContact CG2-CG 4.36Å; I182-L186 WeakPolarHBondContact O-CG 3.16Å; I182-L186 PolarHBondContact O-N 2.94Å; T183-L186 PolarHBondContact O-N 2.93Å; A184-L186 VanDerWaalsContact C-N 3.34Å; A184-L186 PolarHBondContact O-N 3.04Å |
| 187 | M | 90.8 | Very high | 85.8 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.015 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -62.7 | 145.2 | 175.1 | -78 | -172.8 | 176 | 0 | 0 | 112 | R78 V81 T122 V123 V126 T183 A184 | R78-M187 HydrophobicContact CG-CB 4.02Å; R78-M187 PolarHBondContact NE-O 3.39Å; R78-M187 PolarHBondContact NH2-O 3.15Å; V81-M187 HydrophobicContact CB-SD 4.48Å; V81-M187 HydrophobicContact CG2-CE 3.66Å; V81-M187 HydrophobicContact CG2-SD 3.71Å; T122-M187 HydrophobicContact CG2-CE 4.35Å; T122-M187 HydrophobicContact CG2-SD 4.43Å; V123-M187 HydrophobicContact CB-CE 4.09Å; V123-M187 HydrophobicContact CG2-CE 3.42Å; V123-M187 VanDerWaalsContact CG2-CE 3.42Å; V126-M187 HydrophobicContact CB-CE 4.43Å; V126-M187 HydrophobicContact CG1-CG 4.27Å; V126-M187 HydrophobicContact CG2-CE 4.35Å; V126-M187 HydrophobicContact CG2-SD 4.11Å; T183-M187 HydrophobicContact CG2-CE 4.09Å; T183-M187 WeakPolarHBondContact O-CG 3.45Å; T183-M187 PolarHBondContact O-N 3.49Å; T183-M187 VanDerWaalsContact O-N 3.14Å; A184-M187 PolarHBondContact O-N 2.97Å |
| 188 | P | 88.3 | Confident | 83.8 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.019 | 36% | 0.36 | C | S | . | . | trans | -72.5 | 155.9 | 176.3 | 30.1 | -34.9 | 0 | 0 | 0 | 112.4 | V4 T14 V126 I191 | V4-P188 HydrophobicContact CB-CB 3.82Å; V4-P188 HydrophobicContact CB-CG 4.47Å; V4-P188 HydrophobicContact CG2-CB 3.65Å; V4-P188 HydrophobicContact CG2-CG 4.48Å; T14-P188 WeakPolarHBondContact OG1-CD 3.26Å; V126-P188 HydrophobicContact CG1-CG 3.99Å; P188-I191 HydrophobicContact CB-CG1 4.2Å; P188-I191 HydrophobicContact CG-CD1 4Å; P188-I191 HydrophobicContact CG-CG1 3.69Å | ||
| 189 | R | 84.8 | Confident | 81.7 | Confident | 186 Ų | 186 | 69.3 Ų | 69.3 | 70% | 0.702 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -89.7 | -39.1 | 170.3 | -166.3 | 179.8 | -172.7 | 161.3 | 1.4 | 111.4 | M1 S2 | M1-R189 PolarHBondContact O-N 3.49Å; S2-R189 CarbonylContact O-C 3.59Å; S2-R189 WeakPolarHBondContact O-CA 3.47Å; S2-R189 VanDerWaalsContact O-CB 3.27Å; S2-R189 WeakPolarHBondContact O-CB 3.35Å; S2-R189 PolarHBondContact O-N 3.49Å; S2-R189 VanDerWaalsContact O-N 3.1Å |
| 190 | H | 81.6 | Confident | 79.2 | Confident | 107 Ų | 107 | 69.8 Ų | 69.8 | 50% | 0.495 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 132.8 | 175.9 | -59.1 | -81.3 | 0 | 0 | 0 | 109.7 | S2 T3 V4 | S2-H190 PolarHBondContact O-N 3.48Å; T3-H190 WeakPolarHBondContact CA-O 3.47Å; T3-H190 HydrophobicContact CG2-CB 4.44Å; V4-H190 PolarHBondContact N-O 2.82Å |
| 191 | I | 82.1 | Confident | 76.8 | Confident | 66 Ų | 66 | 74 Ų | 74 | 34% | 0.338 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 121.1 | 173.5 | -58 | 173.9 | 0 | 0 | 0 | 106.4 | V4 V6 C129 P188 | V4-I191 WeakPolarHBondContact O-CA 3.43Å; V6-I191 HydrophobicContact CG2-CG2 4.03Å; C129-I191 HydrophobicContact CB-CD1 3.54Å; P188-I191 HydrophobicContact CB-CG1 4.2Å; P188-I191 HydrophobicContact CG-CD1 4Å; P188-I191 HydrophobicContact CG-CG1 3.69Å |
| 192 | I | 78.2 | Confident | 74.1 | Confident | 72 Ų | 72 | 80.3 Ų | 80.3 | 37% | 0.369 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 121.8 | 177.5 | -59.8 | -179.8 | 0 | 0 | 0 | 108.1 | T3 V4 Y5 V6 P194 | T3-I192 HydrophobicContact CG2-CD1 3.37Å; T3-I192 HydrophobicContact CG2-CG1 3.73Å; V4-I192 PolarHBondContact O-N 2.88Å; Y5-I192 WeakPolarHBondContact CA-O 3.38Å; Y5-I192 HydrophobicContact CD1-CB 4.04Å; Y5-I192 HydrophobicContact CD1-CG2 4.1Å; Y5-I192 HydrophobicContact CE1-CB 4.13Å; Y5-I192 HydrophobicContact CE1-CD1 4.29Å; Y5-I192 HydrophobicContact CE1-CG2 4.01Å; V6-I192 PolarHBondContact N-O 3.11Å; V6-I192 VanDerWaalsContact N-O 3.13Å; I192-P194 WeakPolarHBondContact O-CD 3.35Å |
| 193 | D | 80 | Confident | 71.3 | Confident | 50 Ų | 50 | 85.5 Ų | 85.5 | 27% | 0.267 | 48% | 0.477 | S | S | . | . | trans | -96.2 | 104.4 | 173.1 | -177.9 | 8.8 | 0 | 0 | 0 | 108.9 | V6 K132 D195 A196 | V6-D193 HydrophobicContact CG2-CB 3.91Å; K132-D193 WeakPolarHBondContact CE-OD2 3.22Å; K132-D193 IonicContact NZ-OD1 2.58Å; K132-D193 PolarHBondContact NZ-OD1 3.48Å; K132-D193 IonicContact NZ-OD2 3.92Å; K132-D193 PolarHBondContact NZ-OD2 3.26Å; D193-D195 PolarHBondContact O-N 3.41Å; D193-D195 PolarHBondContact OD1-N 2.85Å; D193-A196 HydrophobicContact CB-CB 4.01Å; D193-A196 WeakPolarHBondContact O-CB 3.3Å; D193-A196 PolarHBondContact O-N 3.26Å | ||
| 194 | P | 72 | Confident | 68.6 | Low | 70 Ų | 70 | 91.2 Ų | 91.2 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -20.7 | -177.2 | 26.7 | -32.6 | 0 | 0 | 0 | 113 | I192 | I192-P194 WeakPolarHBondContact O-CD 3.35Š|
| 195 | D | 72.3 | Confident | 65.6 | Low | 128 Ų | 128 | 99.7 Ų | 99.7 | 68% | 0.684 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 5.8 | -178.9 | -55.3 | -39.6 | 0 | 0 | 0 | 112.5 | D193 | D193-D195 PolarHBondContact O-N 3.41Å; D193-D195 PolarHBondContact OD1-N 2.85Å |
| 196 | A | 70.8 | Confident | 62.7 | Low | 46 Ų | 46 | 102.1 Ų | 102.1 | 38% | 0.38 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -64.8 | 131 | 176 | 0 | 0 | 0 | 0 | 0 | 109.7 | D193 V198 | D193-A196 HydrophobicContact CB-CB 4.01Å; D193-A196 WeakPolarHBondContact O-CB 3.3Å; D193-A196 PolarHBondContact O-N 3.26Å; A196-V198 PolarHBondContact O-N 3.28Å |
| 197 | P | 56.7 | Low | 59.6 | Low | 118 Ų | 118 | 103.5 Ų | 103.5 | 77% | 0.766 | 58% | 0.584 | S | S | * | * | trans | -57.5 | 126.6 | 176.2 | 21.5 | -30.1 | 0 | 0 | 0 | 109.1 | V199 | P197-V199 PolarHBondContact O-N 3.49Š| ||
| 198 | V | 53.7 | Low | 56.7 | Low | 135 Ų | 135 | 112.8 Ų | 112.8 | 82% | 0.818 | 62% | 0.624 | S | S | * | * | trans | -62.5 | 102.2 | 175.3 | -178.7 | 0 | 0 | 0 | 0 | 106.9 | A196 P200 | A196-V198 PolarHBondContact O-N 3.28Å; V198-P200 VanDerWaalsContact O-CD 3.26Å; V198-P200 WeakPolarHBondContact O-CD 3.4Å; V198-P200 VanDerWaalsContact O-N 3.11Å | ||
| 199 | V | 51.7 | Low | 53.9 | Low | 124 Ų | 124 | 117.9 Ų | 117.9 | 75% | 0.752 | 66% | 0.66 | S | S | * | * | trans | -57.6 | 118.1 | 170.4 | -178.2 | 0 | 0 | 0 | 0 | 105.7 | P197 A201 | P197-V199 PolarHBondContact O-N 3.49Å; V199-A201 PolarHBondContact O-N 2.9Å | ||
| 200 | P | 42.7 | Very low | 51.1 | Low | 112 Ų | 112 | 118.8 Ų | 118.8 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | trans | -56.9 | 117.4 | 176.7 | -20.4 | 31.2 | 0 | 0 | 0 | 106.9 | V198 E202 | V198-P200 VanDerWaalsContact O-CD 3.26Å; V198-P200 WeakPolarHBondContact O-CD 3.4Å; V198-P200 VanDerWaalsContact O-N 3.11Å; P200-E202 PolarHBondContact O-N 2.68Å | ||
| 201 | A | 44.2 | Very low | 48.5 | Very low | 90 Ų | 90 | 125.2 Ų | 125.2 | 74% | 0.744 | 69% | 0.689 | S | S | * | * | trans | -48.8 | 115.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | V199 K203 | V199-A201 PolarHBondContact O-N 2.9Å; A201-K203 PolarHBondContact O-N 3.17Å | ||
| 202 | E | 39.7 | Very low | 45.6 | Very low | 181 Ų | 181 | 133.6 Ų | 133.6 | 85% | 0.846 | 72% | 0.716 | S | S | * | * | trans | -52.7 | 107.6 | 176.7 | -170.7 | 171.7 | -174.2 | 0 | 0 | 106 | P200 V204 | P200-E202 PolarHBondContact O-N 2.68Å; E202-V204 VanDerWaalsContact C-N 3.27Å; E202-V204 PolarHBondContact O-N 3.46Å | ||
| 203 | K | 35 | Very low | 43 | Very low | 188 Ų | 188 | 135.5 Ų | 135.5 | 82% | 0.817 | 74% | 0.736 | S | S | * | * | trans | -61.9 | 102.8 | 175 | -76.8 | 179.8 | 179.4 | 175.2 | 0 | 104.3 | A201 E205 | A201-K203 PolarHBondContact O-N 3.17Å; K203-E205 PolarHBondContact O-N 3.09Å | ||
| 204 | V | 36.3 | Very low | 40.2 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -53.5 | 97.2 | 165.9 | 177.5 | 0 | 0 | 0 | 0 | 105.5 | E202 T206 | E202-V204 VanDerWaalsContact C-N 3.27Å; E202-V204 PolarHBondContact O-N 3.46Å; V204-T206 HydrophobicContact CG1-CG2 4.48Å; V204-T206 PolarHBondContact O-N 3.15Å | ||
| 205 | E | 31.1 | Very low | 37.7 | Very low | 183 Ų | 183 | 145.5 Ų | 145.5 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -64.6 | 90.4 | 170.2 | -80.5 | -166.9 | 153.4 | 0 | 0 | 105.8 | K203 G207 | K203-E205 PolarHBondContact O-N 3.09Å; E205-G207 VanDerWaalsContact C-N 3.29Å; E205-G207 PolarHBondContact O-N 2.65Å | ||
| 206 | T | 31.6 | Very low | 35.4 | Very low | 116 Ų | 116 | 145 Ų | 145 | 71% | 0.712 | 79% | 0.79 | S | S | * | * | trans | -59.7 | 100.7 | 165.8 | 34.3 | 0 | 0 | 0 | 0 | 106.4 | V204 K208 | V204-T206 HydrophobicContact CG1-CG2 4.48Å; V204-T206 PolarHBondContact O-N 3.15Å; T206-K208 PolarHBondContact O-N 2.88Å | ||
| 207 | G | 29 | Very low | 33.1 | Very low | 74 Ų | 74 | 151.5 Ų | 151.5 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | -52.5 | 99.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | E205 S209 | E205-G207 VanDerWaalsContact C-N 3.29Å; E205-G207 PolarHBondContact O-N 2.65Å; G207-S209 PolarHBondContact O-N 3.47Å | ||
| 208 | K | 29.5 | Very low | 31.5 | Very low | 199 Ų | 199 | 151.3 Ų | 151.3 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | trans | -74.1 | 88.3 | 168 | -76.7 | -177.3 | 178.7 | 174.2 | 0 | 107.9 | T206 K210 | T206-K208 PolarHBondContact O-N 2.88Å; K208-K210 PolarHBondContact O-N 3.4Å | ||
| 209 | S | 29.1 | Very low | 29.9 | Very low | 110 Ų | 110 | 154.8 Ų | 154.8 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -46.5 | 122.4 | 164.8 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | G207 R211 | G207-S209 PolarHBondContact O-N 3.47Å; S209-R211 PolarHBondContact O-N 2.97Å | ||
| 210 | K | 26.2 | Very low | 28.6 | Very low | 204 Ų | 204 | 154.7 Ų | 154.7 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | trans | -54.9 | 97.2 | 176.3 | -76.4 | 171.4 | 173.9 | 169.4 | 0 | 110.2 | K208 | K208-K210 PolarHBondContact O-N 3.4Š| ||
| 211 | R | 25.8 | Very low | 27.6 | Very low | 243 Ų | 243 | 159 Ų | 159 | 92% | 0.917 | 83% | 0.83 | S | S | * | * | trans | -112.8 | 106.1 | 157.6 | -94.7 | -176.6 | 156.7 | 176.5 | -5.7 | 109.6 | S209 | S209-R211 PolarHBondContact O-N 2.97Š| ||
| 212 | R | 22.8 | Very low | 26.6 | Very low | 241 Ų | 241 | 162.9 Ų | 162.9 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | trans | -59.1 | 150.6 | 170.6 | -77.6 | 168.8 | 134 | 162.7 | -6.4 | 110.6 | ||||
| 213 | S | 22.8 | Very low | 25.8 | Very low | 112 Ų | 112 | 161.4 Ų | 161.4 | 78% | 0.783 | 83% | 0.831 | S | S | * | * | trans | 76.1 | 129.8 | 164.6 | -142.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 214 | C | 21 | Very low | 25.3 | Very low | 118 Ų | 118 | 163.3 Ų | 163.3 | 80% | 0.797 | 83% | 0.833 | S | S | * | * | cis | -150.1 | 153.2 | 27 | -121.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 215 | K | 20.2 | Very low | 24.6 | Very low | 212 Ų | 212 | 166.9 Ų | 166.9 | 92% | 0.922 | 84% | 0.838 | S | S | * | * | trans | -75.1 | 123 | 170.5 | -122.9 | 168.8 | -179.3 | 173.7 | 0 | 109.3 | ||||
| 216 | S | 24.3 | Very low | 24.1 | Very low | 118 Ų | 118 | 165.8 Ų | 165.8 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | trans | -164.9 | 144.7 | 150.7 | 56 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 217 | Q | 22.1 | Very low | 23.6 | Very low | 182 Ų | 182 | 169.3 Ų | 169.3 | 85% | 0.85 | 85% | 0.848 | S | S | * | * | trans | -73.4 | 160 | -164.7 | -67.6 | 150.3 | -45.6 | 0 | 0 | 115.2 | ||||
| 218 | S | 22.1 | Very low | 23.3 | Very low | 114 Ų | 114 | 170.5 Ų | 170.5 | 80% | 0.797 | 85% | 0.851 | S | S | * | * | 116.3 | 113.5 | 128 | 76.6 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 219 | K | 21.2 | Very low | 23 | Very low | 209 Ų | 209 | 166.5 Ų | 166.5 | 91% | 0.909 | 85% | 0.848 | S | S | * | * | trans | 19.9 | 124.2 | 145 | -66.4 | 176.6 | 175.5 | 176.9 | 0 | 119 | ||||
| 220 | S | 23.6 | Very low | 22.6 | Very low | 122 Ų | 122 | 169.9 Ų | 169.9 | 85% | 0.853 | 85% | 0.852 | S | S | * | * | -172.3 | 146.3 | 108.3 | 53.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 221 | K | 21.6 | Very low | 22.4 | Very low | 201 Ų | 201 | 167.2 Ų | 167.2 | 87% | 0.874 | 85% | 0.847 | S | S | * | * | trans | -68.6 | 141.9 | 171.9 | -68.5 | 170.3 | 169.1 | -179.2 | 0 | 109.5 | ||||
| 222 | E | 24.5 | Very low | 22.2 | Very low | 173 Ų | 173 | 164.4 Ų | 164.4 | 81% | 0.808 | 85% | 0.845 | S | S | * | * | trans | -167.1 | 137 | 131.3 | -119.9 | 177.3 | 161 | 0 | 0 | 112.5 | ||||
| 223 | D | 21.5 | Very low | 22.1 | Very low | 149 Ų | 149 | 160.9 Ų | 160.9 | 80% | 0.797 | 84% | 0.843 | S | S | * | * | trans | -62.7 | 144 | 174.8 | -60.9 | -65 | 0 | 0 | 0 | 112.4 | ||||
| 224 | R | 24.9 | Very low | 22.1 | Very low | 229 Ų | 229 | 162.3 Ų | 162.3 | 86% | 0.864 | 84% | 0.842 | S | S | * | * | trans | -162.4 | 137.1 | 134.1 | -117.3 | 168.4 | -85.3 | -143.5 | -0.2 | 114.8 | ||||
| 225 | K | 21.8 | Very low | 22.2 | Very low | 195 Ų | 195 | 160.8 Ų | 160.8 | 85% | 0.848 | 84% | 0.838 | S | S | * | * | trans | -58.5 | 142 | -180 | -79.1 | 168.9 | 169.8 | 176.4 | 0 | 114.6 | ||||
| 226 | L | 20.4 | Very low | 22.4 | Very low | 161 Ų | 161 | 158.4 Ų | 158.4 | 84% | 0.843 | 84% | 0.835 | S | S | * | * | 52.9 | 106.1 | 118.8 | -147.5 | 134.4 | 0 | 0 | 0 | 117.5 | |||||
| 227 | M | 21.8 | Very low | 22.3 | Very low | 190 Ų | 190 | 161.4 Ų | 161.4 | 94% | 0.936 | 83% | 0.833 | S | S | * | * | trans | -151.4 | 124 | 145.1 | -112 | 176.6 | 158.8 | 0 | 0 | 110 | ||||
| 228 | A | 21.7 | Very low | 22.3 | Very low | 98 Ų | 98 | 160.6 Ų | 160.6 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | trans | -82.9 | 141.6 | 167 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 229 | S | 24.7 | Very low | 22.2 | Very low | 116 Ų | 116 | 165.5 Ų | 165.5 | 81% | 0.811 | 83% | 0.832 | S | S | * | * | trans | -160.8 | 128 | 156.2 | 45.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 230 | E | 19.3 | Very low | 22.3 | Very low | 180 Ų | 180 | 161 Ų | 161 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | trans | -63.1 | 175.5 | 178 | -72.9 | 159.3 | 121.9 | 0 | 0 | 113.7 | ||||
| 231 | D | 21.5 | Very low | 22.3 | Very low | 148 Ų | 148 | 160.1 Ų | 160.1 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | trans | 78.1 | 105.4 | 165 | -64.4 | -23.4 | 0 | 0 | 0 | 117.5 | ||||
| 232 | Q | 23 | Very low | 22.4 | Very low | 185 Ų | 185 | 157.9 Ų | 157.9 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | -163 | 127.7 | 108.7 | -102 | 164.9 | 24.4 | 0 | 0 | 112.2 | |||||
| 233 | L | 20.8 | Very low | 22.5 | Very low | 166 Ų | 166 | 157.2 Ų | 157.2 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | trans | -85.6 | 110.6 | 174 | -174.2 | 101 | 0 | 0 | 0 | 107 | ||||
| 234 | D | 22.9 | Very low | 22.7 | Very low | 143 Ų | 143 | 154.3 Ų | 154.3 | 77% | 0.765 | 81% | 0.811 | S | S | * | * | trans | -128.1 | 120.3 | 167 | -89.4 | -36.2 | 0 | 0 | 0 | 110.9 | ||||
| 235 | A | 22.5 | Very low | 22.8 | Very low | 86 Ų | 86 | 151 Ų | 151 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | -93 | 96.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | K237 | A235-K237 PolarHBondContact O-N 3.43Š| ||
| 236 | D | 24.1 | Very low | 23.2 | Very low | 161 Ų | 161 | 151.7 Ų | 151.7 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -85.3 | 104.3 | 172.3 | -85.8 | -23.8 | 0 | 0 | 0 | 111.4 | Q238 | D236-Q238 PolarHBondContact O-N 2.92Š| ||
| 237 | K | 22.6 | Very low | 23.7 | Very low | 181 Ų | 181 | 153.8 Ų | 153.8 | 79% | 0.787 | 82% | 0.816 | S | S | * | * | trans | -73.6 | 99.5 | 168.7 | -70.9 | 173.3 | 177.4 | 172.2 | 0 | 109.7 | A235 | A235-K237 PolarHBondContact O-N 3.43Š| ||
| 238 | Q | 22.1 | Very low | 24 | Very low | 166 Ų | 166 | 153.5 Ų | 153.5 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | -99.5 | 85.5 | 164.3 | -163.9 | 76.5 | 7.9 | 0 | 0 | 109.6 | D236 T240 | D236-Q238 PolarHBondContact O-N 2.92Å; Q238-T240 HydrophobicContact CG-CG2 4.32Å; Q238-T240 PolarHBondContact O-N 3.03Å | ||
| 239 | Y | 20.2 | Very low | 24.5 | Very low | 216 Ų | 216 | 155.5 Ų | 155.5 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | trans | -73 | 114.7 | 164 | -91.8 | -97.1 | 0 | 0 | 0 | 108.3 | ||||
| 240 | T | 22.2 | Very low | 24.9 | Very low | 114 Ų | 114 | 152.4 Ų | 152.4 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | -115.1 | 136.2 | 164.6 | 45.2 | 0 | 0 | 0 | 0 | 109.3 | Q238 | Q238-T240 HydrophobicContact CG-CG2 4.32Å; Q238-T240 PolarHBondContact O-N 3.03Å | ||
| 241 | A | 24.4 | Very low | 25.7 | Very low | 104 Ų | 104 | 148.9 Ų | 148.9 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -64.2 | 142.5 | -161.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D243 | A241-D243 PolarHBondContact O-N 3.47Š| ||
| 242 | I | 24.2 | Very low | 26.5 | Very low | 154 Ų | 154 | 146 Ų | 146 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -77.4 | 107 | 177.5 | -65 | 166.6 | 0 | 0 | 0 | 107.9 | S244 | I242-S244 PolarHBondContact O-OG 3.34Š| ||
| 243 | D | 25.3 | Very low | 27.3 | Very low | 159 Ų | 159 | 140.8 Ų | 140.8 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | trans | -74.9 | 124.2 | 168 | -165.3 | 13.8 | 0 | 0 | 0 | 109.2 | A241 | A241-D243 PolarHBondContact O-N 3.47Š| ||
| 244 | S | 25.6 | Very low | 28.2 | Very low | 88 Ų | 88 | 137.7 Ų | 137.7 | 62% | 0.615 | 73% | 0.728 | S | S | * | * | trans | -103.8 | 96.5 | -167.1 | -55.5 | 0 | 0 | 0 | 0 | 107.7 | I242 | I242-S244 PolarHBondContact O-OG 3.34Š| ||
| 245 | D | 26.6 | Very low | 29 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 86% | 0.861 | 71% | 0.712 | S | S | * | * | trans | -177.9 | 76.1 | 156.8 | -97.7 | -22.9 | 0 | 0 | 0 | 111.3 | ||||
| 246 | K | 31.4 | Very low | 30.1 | Very low | 209 Ų | 209 | 135 Ų | 135 | 91% | 0.909 | 69% | 0.694 | S | S | * | * | trans | -136.9 | 115 | 157.4 | -75.4 | -168.6 | 178.9 | 174.3 | 0 | 110.1 | L248 | K246-L248 PolarHBondContact O-N 3.21Š| ||
| 247 | K | 29.7 | Very low | 30.9 | Very low | 205 Ų | 205 | 130 Ų | 130 | 89% | 0.891 | 67% | 0.671 | S | S | * | * | trans | -38.9 | 132.9 | 170.5 | -85.6 | 175.1 | 171.2 | 176.5 | 0 | 110.9 | Q249 | K247-Q249 VanDerWaalsContact C-N 3.33Å; K247-Q249 PolarHBondContact O-N 2.89Å | ||
| 248 | L | 30.1 | Very low | 32 | Very low | 184 Ų | 184 | 127.2 Ų | 127.2 | 96% | 0.963 | 66% | 0.659 | S | S | * | * | trans | -50 | 84.9 | 178.1 | -167.9 | 74.7 | 0 | 0 | 0 | 111.9 | K246 | K246-L248 PolarHBondContact O-N 3.21Š| ||
| 249 | Q | 31.7 | Very low | 32.7 | Very low | 139 Ų | 139 | 120.3 Ų | 120.3 | 65% | 0.65 | 63% | 0.628 | S | S | * | * | trans | -76.9 | 139.5 | 170.6 | -155.2 | 108.2 | 11.3 | 0 | 0 | 107.8 | K247 D253 | K247-Q249 VanDerWaalsContact C-N 3.33Å; K247-Q249 PolarHBondContact O-N 2.89Å; Q249-D253 HydrophobicContact CG-CB 3.59Å | ||
| 250 | S | 32.5 | Very low | 34.1 | Very low | 51 Ų | 51 | 113.7 Ų | 113.7 | 36% | 0.357 | 61% | 0.607 | S | S | . | * | trans | -59.9 | 147.2 | -176.6 | 79.9 | 0 | 0 | 0 | 0 | 111 | V252 D253 E254 | S250-V252 PolarHBondContact O-N 3.19Å; S250-D253 PolarHBondContact O-N 3.28Å; S250-D253 VanDerWaalsContact OG-CG 3.24Å; S250-D253 PolarHBondContact OG-N 2.96Å; S250-D253 PolarHBondContact OG-OD2 3.26Å; S250-E254 PolarHBondContact O-N 3.43Å; S250-E254 VanDerWaalsContact O-N 3.14Å | ||
| 251 | P | 37.1 | Very low | 35 | Very low | 107 Ų | 107 | 113.4 Ų | 113.4 | 70% | 0.695 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -55.9 | -26.6 | -179.3 | -25.1 | 32.9 | 0 | 0 | 0 | 113.6 | F255 | P251-F255 WeakPolarHBondContact O-CB 3.35Å; P251-F255 PolarHBondContact O-N 3.09Å; P251-F255 VanDerWaalsContact O-N 3.1Å |
| 252 | V | 36.6 | Very low | 35.5 | Very low | 88 Ų | 88 | 116 Ų | 116 | 53% | 0.533 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.7 | -43.8 | 176.8 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | S250 F255 F256 | S250-V252 PolarHBondContact O-N 3.19Å; V252-F255 PolarHBondContact O-N 3.38Å; V252-F256 HydrophobicContact CG1-CD2 3.65Å; V252-F256 HydrophobicContact CG1-CE2 3.34Å; V252-F256 HydrophobicContact CG1-CZ 4.5Å; V252-F256 WeakPolarHBondContact O-CD2 3.33Å; V252-F256 PolarHBondContact O-N 2.96Å |
| 253 | D | 40.7 | Very low | 36.4 | Very low | 75 Ų | 75 | 111 Ų | 111 | 40% | 0.401 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.2 | -39.3 | 177.8 | -61.9 | -45.6 | 0 | 0 | 0 | 111.9 | Q249 S250 F255 F256 S257 | Q249-D253 HydrophobicContact CG-CB 3.59Å; S250-D253 PolarHBondContact O-N 3.28Å; S250-D253 VanDerWaalsContact OG-CG 3.24Å; S250-D253 PolarHBondContact OG-N 2.96Å; S250-D253 PolarHBondContact OG-OD2 3.26Å; D253-F255 VanDerWaalsContact C-N 3.29Å; D253-F255 PolarHBondContact O-N 2.98Å; D253-F256 PolarHBondContact O-N 3.35Å; D253-S257 WeakPolarHBondContact O-CB 3.29Å; D253-S257 PolarHBondContact O-N 3.49Å |
| 254 | E | 40.4 | Very low | 37.1 | Very low | 101 Ų | 101 | 108.4 Ų | 108.4 | 47% | 0.472 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.1 | -40.7 | 175.1 | -165.2 | -163.3 | 141.5 | 0 | 0 | 110.7 | S250 S257 K258 | S250-E254 PolarHBondContact O-N 3.43Å; S250-E254 VanDerWaalsContact O-N 3.14Å; E254-S257 PolarHBondContact O-N 3.11Å; E254-S257 PolarHBondContact O-OG 3.46Å; E254-K258 PolarHBondContact O-N 2.88Å; E254-K258 VanDerWaalsContact O-N 3.14Å; E254-K258 IonicContact OE1-NZ 3.03Å; E254-K258 PolarHBondContact OE1-NZ 3.16Å |
| 255 | F | 39.7 | Very low | 37.7 | Very low | 97 Ų | 97 | 109.2 Ų | 109.2 | 43% | 0.425 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.6 | -41.7 | 176.7 | -172.4 | -101.3 | 0 | 0 | 0 | 112.5 | P251 V252 D253 S257 K258 L259 Q456 I460 | P251-F255 WeakPolarHBondContact O-CB 3.35Å; P251-F255 PolarHBondContact O-N 3.09Å; P251-F255 VanDerWaalsContact O-N 3.1Å; V252-F255 PolarHBondContact O-N 3.38Å; D253-F255 VanDerWaalsContact C-N 3.29Å; D253-F255 PolarHBondContact O-N 2.98Å; F255-S257 VanDerWaalsContact C-N 3.29Å; F255-S257 PolarHBondContact O-N 2.98Å; F255-K258 PolarHBondContact O-N 3.37Å; F255-L259 PolarHBondContact O-N 2.91Å; F255-Q456 HydrophobicContact CE1-CG 4.4Å; F255-Q456 HydrophobicContact CZ-CG 4.2Å; F255-I460 HydrophobicContact CE1-CD1 3.94Å; F255-I460 HydrophobicContact CE1-CG1 4.29Å |
| 256 | F | 44.3 | Very low | 38.2 | Very low | 76 Ų | 76 | 106 Ų | 106 | 33% | 0.333 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.5 | -29.7 | 172.6 | -77.3 | -60.3 | 0 | 0 | 0 | 112.9 | V252 D253 L259 D260 | V252-F256 HydrophobicContact CG1-CD2 3.65Å; V252-F256 HydrophobicContact CG1-CE2 3.34Å; V252-F256 HydrophobicContact CG1-CZ 4.5Å; V252-F256 WeakPolarHBondContact O-CD2 3.33Å; V252-F256 PolarHBondContact O-N 2.96Å; D253-F256 PolarHBondContact O-N 3.35Å; F256-L259 WeakPolarHBondContact O-CB 3.15Å; F256-L259 PolarHBondContact O-N 3.46Å; F256-D260 PolarHBondContact O-N 3.28Å |
| 257 | S | 41.9 | Very low | 38.2 | Very low | 55 Ų | 55 | 101 Ų | 101 | 39% | 0.385 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.4 | -37.3 | 175.1 | 81.3 | 0 | 0 | 0 | 0 | 112.5 | D253 E254 F255 L259 D260 N261 | D253-S257 WeakPolarHBondContact O-CB 3.29Å; D253-S257 PolarHBondContact O-N 3.49Å; E254-S257 PolarHBondContact O-N 3.11Å; E254-S257 PolarHBondContact O-OG 3.46Å; F255-S257 VanDerWaalsContact C-N 3.29Å; F255-S257 PolarHBondContact O-N 2.98Å; S257-L259 PolarHBondContact O-N 3.39Å; S257-D260 PolarHBondContact O-N 2.97Å; S257-N261 PolarHBondContact O-N 3.14Å |
| 258 | K | 45.1 | Very low | 38.7 | Very low | 122 Ų | 122 | 94.4 Ų | 94.4 | 53% | 0.53 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.4 | -27.7 | 172.6 | -75.3 | 174.9 | -175.9 | 153.3 | 0 | 111.6 | E254 F255 | E254-K258 PolarHBondContact O-N 2.88Å; E254-K258 VanDerWaalsContact O-N 3.14Å; E254-K258 IonicContact OE1-NZ 3.03Å; E254-K258 PolarHBondContact OE1-NZ 3.16Å; F255-K258 PolarHBondContact O-N 3.37Å |
| 259 | L | 37.7 | Very low | 39 | Very low | 22 Ų | 22 | 88 Ų | 88 | 12% | 0.115 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 173.4 | -149.5 | 88.6 | 0 | 0 | 0 | 112.5 | F255 F256 S257 Q456 | F255-L259 PolarHBondContact O-N 2.91Å; F256-L259 WeakPolarHBondContact O-CB 3.15Å; F256-L259 PolarHBondContact O-N 3.46Å; S257-L259 PolarHBondContact O-N 3.39Å; L259-Q456 HydrophobicContact CD1-CG 4.49Å |
| 260 | D | 48.7 | Very low | 39.1 | Very low | 76 Ų | 76 | 86 Ų | 86 | 41% | 0.406 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -70.1 | -42.4 | -179 | -99.3 | -1.4 | 0 | 0 | 0 | 111.1 | F256 S257 Q262 R263 D264 | F256-D260 PolarHBondContact O-N 3.28Å; S257-D260 PolarHBondContact O-N 2.97Å; D260-Q262 VanDerWaalsContact C-N 3.27Å; D260-Q262 PolarHBondContact O-N 2.91Å; D260-R263 WeakPolarHBondContact O-CB 3.17Å; D260-R263 PolarHBondContact O-N 3.21Å; D260-D264 PolarHBondContact O-N 2.71Å |
| 261 | N | 42.3 | Very low | 39.4 | Very low | 109 Ų | 109 | 86.2 Ų | 86.2 | 58% | 0.583 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.9 | -30 | -178.6 | -77.7 | -12.6 | 0 | 0 | 0 | 113.8 | S257 | S257-N261 PolarHBondContact O-N 3.14Å |
| 262 | Q | 34.8 | Very low | 39.4 | Very low | 159 Ų | 159 | 85.7 Ų | 85.7 | 74% | 0.743 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -75.5 | -24.5 | 174.5 | -80.2 | -135.5 | -57.9 | 0 | 0 | 113.4 | D260 | D260-Q262 VanDerWaalsContact C-N 3.27Å; D260-Q262 PolarHBondContact O-N 2.91Å |
| 263 | R | 43.2 | Very low | 39.6 | Very low | 47 Ų | 47 | 85.5 Ų | 85.5 | 18% | 0.177 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -77.2 | -36.8 | 177.3 | -74 | -179.4 | -177.5 | 173.2 | -1.8 | 112.3 | D260 V265 V266 H267 T299 | D260-R263 WeakPolarHBondContact O-CB 3.17Å; D260-R263 PolarHBondContact O-N 3.21Å; R263-V265 PolarHBondContact O-N 2.89Å; R263-V266 PolarHBondContact O-N 3.02Å; R263-V266 VanDerWaalsContact O-N 3.07Å; R263-H267 PolarHBondContact O-CD2 3.01Å; R263-H267 PolarHBondContact O-N 3.4Å; R263-T299 PolarHBondContact NH1-OG1 3.32Å; R263-T299 VanDerWaalsContact NH1-OG1 3.16Å |
| 264 | D | 38.1 | Very low | 39.3 | Very low | 105 Ų | 105 | 85 Ų | 85 | 56% | 0.561 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.4 | -30.4 | 178.8 | -74.8 | -20.2 | 0 | 0 | 0 | 112.2 | D260 H267 S268 | D260-D264 PolarHBondContact O-N 2.71Å; D264-H267 PolarHBondContact O-N 3.34Å; D264-S268 VanDerWaalsContact O-CB 3.22Å; D264-S268 WeakPolarHBondContact O-CB 3.43Å; D264-S268 PolarHBondContact O-N 2.78Å |
| 265 | V | 40 | Very low | 39.2 | Very low | 106 Ų | 106 | 84 Ų | 84 | 64% | 0.642 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -67.1 | -39.1 | 176 | -179.3 | 0 | 0 | 0 | 0 | 112 | R263 A269 | R263-V265 PolarHBondContact O-N 2.89Å; V265-A269 PolarHBondContact O-N 3.43Å |
| 266 | V | 37.1 | Very low | 39.2 | Very low | 92 Ų | 92 | 85.2 Ų | 85.2 | 56% | 0.558 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -76.8 | -34.5 | 178.7 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | R263 A269 N270 | R263-V266 PolarHBondContact O-N 3.02Å; R263-V266 VanDerWaalsContact O-N 3.07Å; V266-A269 PolarHBondContact O-N 2.79Å; V266-N270 PolarHBondContact O-N 2.96Å |
| 267 | H | 31 | Very low | 39 | Very low | 104 Ų | 104 | 87.8 Ų | 87.8 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -76.1 | -33.1 | 177.2 | -76.4 | -65.9 | 0 | 0 | 0 | 113.3 | R263 D264 A269 N270 A271 | R263-H267 PolarHBondContact O-CD2 3.01Å; R263-H267 PolarHBondContact O-N 3.4Å; D264-H267 PolarHBondContact O-N 3.34Å; H267-A269 VanDerWaalsContact C-N 3.27Å; H267-A269 PolarHBondContact O-N 3.07Å; H267-N270 PolarHBondContact O-N 3.46Å; H267-A271 WeakPolarHBondContact O-CB 3.3Å; H267-A271 PolarHBondContact O-N 3.41Å |
| 268 | S | 39.2 | Very low | 38.5 | Very low | 68 Ų | 68 | 89.5 Ų | 89.5 | 48% | 0.476 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.1 | -40.8 | 171 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | D264 N270 A271 I272 | D264-S268 VanDerWaalsContact O-CB 3.22Å; D264-S268 WeakPolarHBondContact O-CB 3.43Å; D264-S268 PolarHBondContact O-N 2.78Å; S268-N270 PolarHBondContact O-N 3.4Å; S268-A271 PolarHBondContact O-N 3.42Å; S268-I272 VanDerWaalsContact O-CG1 3.31Å; S268-I272 WeakPolarHBondContact O-CG1 3.12Å; S268-I272 PolarHBondContact O-N 3.27Å |
| 269 | A | 35.8 | Very low | 37.9 | Very low | 50 Ų | 50 | 88.6 Ų | 88.6 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V265 V266 H267 I272 T273 | V265-A269 PolarHBondContact O-N 3.43Å; V266-A269 PolarHBondContact O-N 2.79Å; H267-A269 VanDerWaalsContact C-N 3.27Å; H267-A269 PolarHBondContact O-N 3.07Å; A269-I272 PolarHBondContact O-N 2.91Å; A269-T273 PolarHBondContact O-N 2.94Å; A269-T273 PolarHBondContact O-OG1 3.45Å; A269-T273 VanDerWaalsContact O-OG1 3.06Å |
| 270 | N | 35.1 | Very low | 37.7 | Very low | 95 Ų | 95 | 92.2 Ų | 92.2 | 51% | 0.508 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -73 | -29.1 | 176.6 | -74.3 | -13.4 | 0 | 0 | 0 | 113.2 | V266 H267 S268 I272 T273 S274 | V266-N270 PolarHBondContact O-N 2.96Å; H267-N270 PolarHBondContact O-N 3.46Å; S268-N270 PolarHBondContact O-N 3.4Å; N270-I272 VanDerWaalsContact C-N 3.33Å; N270-T273 PolarHBondContact O-N 3.29Å; N270-S274 WeakPolarHBondContact O-CB 3.07Å; N270-S274 PolarHBondContact O-N 3.37Å; N270-S274 PolarHBondContact O-OG 2.91Å |
| 271 | A | 37.9 | Very low | 37 | Very low | 56 Ų | 56 | 93.5 Ų | 93.5 | 46% | 0.463 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.8 | -34.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | H267 S268 S274 S275 | H267-A271 WeakPolarHBondContact O-CB 3.3Å; H267-A271 PolarHBondContact O-N 3.41Å; S268-A271 PolarHBondContact O-N 3.42Å; A271-S274 WeakPolarHBondContact CA-OG 3.37Å; A271-S274 PolarHBondContact O-OG 3.12Å; A271-S275 VanDerWaalsContact O-CB 3.3Å; A271-S275 WeakPolarHBondContact O-CB 3.49Å; A271-S275 PolarHBondContact O-N 3.32Å; A271-S275 PolarHBondContact O-OG 2.99Å |
| 272 | I | 38.3 | Very low | 36.6 | Very low | 96 Ų | 96 | 95.1 Ų | 95.1 | 49% | 0.492 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.1 | -43.8 | 173.5 | -65 | 164.4 | 0 | 0 | 0 | 110.2 | S268 A269 N270 S274 S275 I276 | S268-I272 VanDerWaalsContact O-CG1 3.31Å; S268-I272 WeakPolarHBondContact O-CG1 3.12Å; S268-I272 PolarHBondContact O-N 3.27Å; A269-I272 PolarHBondContact O-N 2.91Å; N270-I272 VanDerWaalsContact C-N 3.33Å; I272-S274 VanDerWaalsContact C-N 3.34Å; I272-S274 PolarHBondContact O-N 2.92Å; I272-S275 PolarHBondContact O-N 3.03Å; I272-S275 PolarHBondContact O-OG 3.48Å; I272-I276 HydrophobicContact CG2-CD1 4.29Å; I272-I276 WeakPolarHBondContact O-CG1 3.38Å; I272-I276 PolarHBondContact O-N 3.3Å |
| 273 | T | 39.7 | Very low | 36.5 | Very low | 85 Ų | 85 | 92.3 Ų | 92.3 | 52% | 0.521 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66 | -35.7 | 178 | -49.6 | 0 | 0 | 0 | 0 | 112.5 | A269 N270 | A269-T273 PolarHBondContact O-N 2.94Å; A269-T273 PolarHBondContact O-OG1 3.45Å; A269-T273 VanDerWaalsContact O-OG1 3.06Å; N270-T273 PolarHBondContact O-N 3.29Å |
| 274 | S | 35.6 | Very low | 36.1 | Very low | 65 Ų | 65 | 93.4 Ų | 93.4 | 46% | 0.455 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -80.7 | -23.7 | 177.4 | 52.3 | 0 | 0 | 0 | 0 | 114.1 | N270 A271 I272 I276 N278 | N270-S274 WeakPolarHBondContact O-CB 3.07Å; N270-S274 PolarHBondContact O-N 3.37Å; N270-S274 PolarHBondContact O-OG 2.91Å; A271-S274 WeakPolarHBondContact CA-OG 3.37Å; A271-S274 PolarHBondContact O-OG 3.12Å; I272-S274 VanDerWaalsContact C-N 3.34Å; I272-S274 PolarHBondContact O-N 2.92Å; S274-I276 VanDerWaalsContact C-N 3.34Å; S274-N278 PolarHBondContact O-N 3.21Å |
| 275 | S | 36.8 | Very low | 36.1 | Very low | 78 Ų | 78 | 95.6 Ų | 95.6 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -73.5 | -26.7 | 172.3 | 66.2 | 0 | 0 | 0 | 0 | 112.7 | A271 I272 | A271-S275 VanDerWaalsContact O-CB 3.3Å; A271-S275 WeakPolarHBondContact O-CB 3.49Å; A271-S275 PolarHBondContact O-N 3.32Å; A271-S275 PolarHBondContact O-OG 2.99Å; I272-S275 PolarHBondContact O-N 3.03Å; I272-S275 PolarHBondContact O-OG 3.48Å |
| 276 | I | 40 | Very low | 36.1 | Very low | 123 Ų | 123 | 93.8 Ų | 93.8 | 63% | 0.631 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -74 | -27.9 | 175.6 | -66.9 | 169.9 | 0 | 0 | 0 | 112.1 | I272 S274 | I272-I276 HydrophobicContact CG2-CD1 4.29Å; I272-I276 WeakPolarHBondContact O-CG1 3.38Å; I272-I276 PolarHBondContact O-N 3.3Å; S274-I276 VanDerWaalsContact C-N 3.34Å |
| 277 | I | 40.4 | Very low | 36 | Very low | 130 Ų | 130 | 98.2 Ų | 98.2 | 67% | 0.667 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -88.8 | -20.8 | -176.9 | -62.9 | 174.7 | 0 | 0 | 0 | 112.9 | ||
| 278 | N | 32.7 | Very low | 36.2 | Very low | 92 Ų | 92 | 98.8 Ų | 98.8 | 49% | 0.492 | 58% | 0.582 | S | S | . | * | trans | -112 | 33.1 | -172.6 | -73.1 | -23.5 | 0 | 0 | 0 | 115.1 | S274 S280 L283 | S274-N278 PolarHBondContact O-N 3.21Å; N278-S280 PolarHBondContact O-N 2.89Å; N278-L283 HydrophobicContact CB-CD1 4.05Å | ||
| 279 | S | 32.4 | Very low | 36.4 | Very low | 102 Ų | 102 | 99 Ų | 99 | 71% | 0.713 | 58% | 0.584 | S | S | * | * | trans | -74.3 | 56.5 | 165.1 | 48.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 280 | S | 32.7 | Very low | 36.7 | Very low | 99 Ų | 99 | 100.3 Ų | 100.3 | 69% | 0.692 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -161.7 | 117.5 | 165.5 | -76.6 | 0 | 0 | 0 | 0 | 110.9 | N278 | N278-S280 PolarHBondContact O-N 2.89Š|
| 281 | S | 33.2 | Very low | 37 | Very low | 103 Ų | 103 | 101.7 Ų | 101.7 | 72% | 0.72 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 67.8 | 106.5 | 164.4 | 62.8 | 0 | 0 | 0 | 0 | 119.7 | L283 | S281-L283 PolarHBondContact O-N 2.93Š|
| 282 | T | 34 | Very low | 37.6 | Very low | 142 Ų | 142 | 102.6 Ų | 102.6 | 87% | 0.871 | 60% | 0.596 | S | S | * | * | trans | 39.3 | 69.3 | 146.9 | 61.3 | 0 | 0 | 0 | 0 | 116.8 | S284 | T282-S284 PolarHBondContact O-N 2.86Š| ||
| 283 | L | 33.5 | Very low | 38.1 | Very low | 100 Ų | 100 | 101.3 Ų | 101.3 | 52% | 0.524 | 59% | 0.59 | S | S | . | * | trans | -72 | 97.9 | 171.5 | -114 | 137 | 0 | 0 | 0 | 110.2 | N278 S281 L285 | N278-L283 HydrophobicContact CB-CD1 4.05Å; S281-L283 PolarHBondContact O-N 2.93Å; L283-L285 PolarHBondContact O-N 2.62Å | ||
| 284 | S | 35.2 | Very low | 39 | Very low | 71 Ų | 71 | 100.7 Ų | 100.7 | 50% | 0.497 | 59% | 0.589 | S | S | . | * | trans | -46.9 | 122.9 | 169.4 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | T282 S286 R287 | T282-S284 PolarHBondContact O-N 2.86Å; S284-S286 PolarHBondContact O-N 2.91Å; S284-S286 PolarHBondContact OG-N 2.58Å; S284-S286 PolarHBondContact OG-OG 2.97Å; S284-R287 PolarHBondContact O-N 3.27Å; S284-R287 VanDerWaalsContact O-N 3.13Å | ||
| 285 | L | 36.9 | Very low | 40.4 | Very low | 151 Ų | 151 | 100.7 Ų | 100.7 | 79% | 0.791 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50 | -17.9 | 176.3 | -85.2 | 150 | 0 | 0 | 0 | 114.4 | L283 R287 | L283-L285 PolarHBondContact O-N 2.62Å; L285-R287 PolarHBondContact O-N 2.9Å |
| 286 | S | 40.8 | Very low | 42 | Very low | 67 Ų | 67 | 104 Ų | 104 | 47% | 0.469 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.7 | -35.9 | 176.2 | 61.2 | 0 | 0 | 0 | 0 | 113.6 | S284 I288 S289 V290 | S284-S286 PolarHBondContact O-N 2.91Å; S284-S286 PolarHBondContact OG-N 2.58Å; S284-S286 PolarHBondContact OG-OG 2.97Å; S286-I288 VanDerWaalsContact C-N 3.32Å; S286-I288 PolarHBondContact O-N 3.34Å; S286-S289 PolarHBondContact O-N 3.08Å; S286-S289 PolarHBondContact O-OG 3.44Å; S286-V290 PolarHBondContact O-N 2.89Å |
| 287 | R | 34.9 | Very low | 43.3 | Very low | 185 Ų | 185 | 100.5 Ų | 100.5 | 70% | 0.698 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.7 | -31.6 | -175.9 | -76 | -171.3 | -179.7 | -176.3 | 1.2 | 113.4 | S284 L285 S289 V290 L291 | S284-R287 PolarHBondContact O-N 3.27Å; S284-R287 VanDerWaalsContact O-N 3.13Å; L285-R287 PolarHBondContact O-N 2.9Å; R287-S289 VanDerWaalsContact C-N 3.35Å; R287-V290 PolarHBondContact O-N 3.2Å; R287-L291 PolarHBondContact O-N 3.45Å; R287-L291 VanDerWaalsContact O-N 3.16Å |
| 288 | I | 35.9 | Very low | 45 | Very low | 116 Ų | 116 | 97 Ų | 97 | 60% | 0.595 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.3 | -39.1 | 179.8 | -61.6 | 174.1 | 0 | 0 | 0 | 110.4 | S286 S292 | S286-I288 VanDerWaalsContact C-N 3.32Å; S286-I288 PolarHBondContact O-N 3.34Å; I288-S292 WeakPolarHBondContact O-CB 3.38Å; I288-S292 PolarHBondContact O-N 2.9Å; I288-S292 VanDerWaalsContact O-N 3.11Å |
| 289 | S | 42.6 | Very low | 47.2 | Very low | 73 Ų | 73 | 94 Ų | 94 | 51% | 0.51 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67 | -39.8 | 178.2 | 71.6 | 0 | 0 | 0 | 0 | 112.9 | S286 R287 L293 | S286-S289 PolarHBondContact O-N 3.08Å; S286-S289 PolarHBondContact O-OG 3.44Å; R287-S289 VanDerWaalsContact C-N 3.35Å; S289-L293 VanDerWaalsContact O-CB 3.31Å; S289-L293 WeakPolarHBondContact O-CB 3.29Å; S289-L293 PolarHBondContact O-N 3.39Å |
| 290 | V | 42.6 | Very low | 49.7 | Very low | 77 Ų | 77 | 94 Ų | 94 | 47% | 0.467 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.6 | -40.7 | -179.1 | -178.6 | 0 | 0 | 0 | 0 | 110.9 | S286 R287 L293 S294 | S286-V290 PolarHBondContact O-N 2.89Å; R287-V290 PolarHBondContact O-N 3.2Å; V290-L293 PolarHBondContact O-N 3.48Å; V290-S294 WeakPolarHBondContact O-CB 3.43Å; V290-S294 PolarHBondContact O-N 3.08Å |
| 291 | L | 41.7 | Very low | 52.3 | Low | 124 Ų | 124 | 91.1 Ų | 91.1 | 65% | 0.649 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.8 | -43.5 | 177.9 | -164 | 73.6 | 0 | 0 | 0 | 111.6 | R287 L293 S294 T295 | R287-L291 PolarHBondContact O-N 3.45Å; R287-L291 VanDerWaalsContact O-N 3.16Å; L291-L293 VanDerWaalsContact C-N 3.29Å; L291-L293 PolarHBondContact O-N 3.21Å; L291-S294 PolarHBondContact O-N 3.41Å; L291-T295 WeakPolarHBondContact O-CG2 3.39Å; L291-T295 PolarHBondContact O-N 2.86Å; L291-T295 VanDerWaalsContact O-N 3.14Å; L291-T295 PolarHBondContact O-OG1 3.48Å |
| 292 | S | 49.6 | Very low | 54.9 | Low | 75 Ų | 75 | 87.6 Ų | 87.6 | 52% | 0.524 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.5 | -39.5 | 173.7 | 159.7 | 0 | 0 | 0 | 0 | 112.5 | I288 T295 R296 | I288-S292 WeakPolarHBondContact O-CB 3.38Å; I288-S292 PolarHBondContact O-N 2.9Å; I288-S292 VanDerWaalsContact O-N 3.11Å; S292-T295 PolarHBondContact O-OG1 2.81Å; S292-R296 WeakPolarHBondContact O-CB 3.45Å; S292-R296 PolarHBondContact O-N 2.92Å |
| 293 | L | 49 | Very low | 57.4 | Low | 70 Ų | 70 | 84.8 Ų | 84.8 | 37% | 0.366 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -77.5 | -38.7 | -178.3 | -167.3 | 62.8 | 0 | 0 | 0 | 111.8 | S289 V290 L291 R296 H297 | S289-L293 VanDerWaalsContact O-CB 3.31Å; S289-L293 WeakPolarHBondContact O-CB 3.29Å; S289-L293 PolarHBondContact O-N 3.39Å; V290-L293 PolarHBondContact O-N 3.48Å; L291-L293 VanDerWaalsContact C-N 3.29Å; L291-L293 PolarHBondContact O-N 3.21Å; L293-R296 PolarHBondContact O-N 3.2Å; L293-H297 VanDerWaalsContact CG-CE1 3.5Å; L293-H297 WeakPolarHBondContact CG-CE1 3.48Å; L293-H297 PolarHBondContact O-N 3.33Å; L293-H297 PolarHBondContact O-ND1 3.05Å |
| 294 | S | 58.8 | Low | 60.2 | Low | 72 Ų | 72 | 81.7 Ų | 81.7 | 50% | 0.503 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 176.2 | 179.1 | 0 | 0 | 0 | 0 | 112.2 | V290 L291 R296 H297 A298 | V290-S294 WeakPolarHBondContact O-CB 3.43Å; V290-S294 PolarHBondContact O-N 3.08Å; L291-S294 PolarHBondContact O-N 3.41Å; S294-R296 VanDerWaalsContact C-N 3.33Å; S294-R296 PolarHBondContact O-N 3.46Å; S294-H297 PolarHBondContact O-N 3.44Å; S294-A298 PolarHBondContact O-N 3.18Å |
| 295 | T | 65.7 | Low | 62.9 | Low | 65 Ų | 65 | 78.4 Ų | 78.4 | 40% | 0.399 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 176.3 | 54.9 | 0 | 0 | 0 | 0 | 112.3 | L291 S292 T299 | L291-T295 WeakPolarHBondContact O-CG2 3.39Å; L291-T295 PolarHBondContact O-N 2.86Å; L291-T295 VanDerWaalsContact O-N 3.14Å; L291-T295 PolarHBondContact O-OG1 3.48Å; S292-T295 PolarHBondContact O-OG1 2.81Å; T295-T299 PolarHBondContact O-N 2.67Å; T295-T299 VanDerWaalsContact O-N 3.11Å; T295-T299 PolarHBondContact O-OG1 2.96Å |
| 296 | R | 68.6 | Low | 65.5 | Low | 148 Ų | 148 | 72.3 Ų | 72.3 | 56% | 0.558 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.9 | -43.8 | 176 | -166.3 | 177.3 | -179.4 | 169.4 | -2 | 111.7 | S292 L293 S294 T299 Y300 | S292-R296 WeakPolarHBondContact O-CB 3.45Å; S292-R296 PolarHBondContact O-N 2.92Å; L293-R296 PolarHBondContact O-N 3.2Å; S294-R296 VanDerWaalsContact C-N 3.33Å; S294-R296 PolarHBondContact O-N 3.46Å; R296-T299 PolarHBondContact O-N 2.68Å; R296-Y300 HydrophobicContact CG-CD2 4.04Å; R296-Y300 HydrophobicContact CG-CE2 3.55Å; R296-Y300 PolarHBondContact NE-OH 2.83Å; R296-Y300 PolarHBondContact NH2-OH 2.87Å; R296-Y300 WeakPolarHBondContact O-CD2 3.46Å; R296-Y300 PolarHBondContact O-N 2.86Å; R296-Y300 VanDerWaalsContact O-N 3.15Å |
| 297 | H | 68.6 | Low | 68 | Low | 48 Ų | 48 | 73.9 Ų | 73.9 | 22% | 0.222 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 177.1 | -78.6 | 86.2 | 0 | 0 | 0 | 112.5 | L293 S294 T299 Y300 L301 | L293-H297 VanDerWaalsContact CG-CE1 3.5Å; L293-H297 WeakPolarHBondContact CG-CE1 3.48Å; L293-H297 PolarHBondContact O-N 3.33Å; L293-H297 PolarHBondContact O-ND1 3.05Å; S294-H297 PolarHBondContact O-N 3.44Å; H297-T299 VanDerWaalsContact C-N 3.25Å; H297-T299 PolarHBondContact O-N 2.93Å; H297-Y300 PolarHBondContact O-N 2.94Å; H297-L301 PolarHBondContact O-N 3.37Å; H297-L301 VanDerWaalsContact O-N 3.11Å |
| 298 | A | 75.8 | Confident | 70.9 | Confident | 56 Ų | 56 | 65.8 Ų | 65.8 | 46% | 0.463 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.1 | -40.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S294 L301 T302 | S294-A298 PolarHBondContact O-N 3.18Å; A298-L301 PolarHBondContact O-N 2.89Å; A298-T302 PolarHBondContact O-N 3.32Å; A298-T302 PolarHBondContact O-OG1 3.39Å |
| 299 | T | 79.3 | Confident | 73.7 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 19% | 0.19 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 178.5 | -61.4 | 0 | 0 | 0 | 0 | 112.5 | R263 T295 R296 H297 T302 R303 | R263-T299 PolarHBondContact NH1-OG1 3.32Å; R263-T299 VanDerWaalsContact NH1-OG1 3.16Å; T295-T299 PolarHBondContact O-N 2.67Å; T295-T299 VanDerWaalsContact O-N 3.11Å; T295-T299 PolarHBondContact O-OG1 2.96Å; R296-T299 PolarHBondContact O-N 2.68Å; H297-T299 VanDerWaalsContact C-N 3.25Å; H297-T299 PolarHBondContact O-N 2.93Å; T299-T302 PolarHBondContact O-N 3.46Å; T299-R303 WeakPolarHBondContact O-CG 3.48Å; T299-R303 PolarHBondContact O-N 3.27Å |
| 300 | Y | 83.6 | Confident | 76.1 | Confident | 100 Ų | 100 | 57.7 Ų | 57.7 | 39% | 0.392 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 178.2 | -76 | -63.2 | 0 | 0 | 0 | 112.1 | R296 H297 T302 R303 S304 | R296-Y300 HydrophobicContact CG-CD2 4.04Å; R296-Y300 HydrophobicContact CG-CE2 3.55Å; R296-Y300 PolarHBondContact NE-OH 2.83Å; R296-Y300 PolarHBondContact NH2-OH 2.87Å; R296-Y300 WeakPolarHBondContact O-CD2 3.46Å; R296-Y300 PolarHBondContact O-N 2.86Å; R296-Y300 VanDerWaalsContact O-N 3.15Å; H297-Y300 PolarHBondContact O-N 2.94Å; Y300-T302 PolarHBondContact O-N 3.1Å; Y300-R303 PolarHBondContact O-N 3.45Å; Y300-S304 PolarHBondContact O-N 3.47Å; Y300-S304 PolarHBondContact O-OG 3.39Å |
| 301 | L | 87 | Confident | 78.6 | Confident | 40 Ų | 40 | 57.6 Ų | 57.6 | 21% | 0.209 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.3 | -47.8 | 176.2 | 178.1 | 61.7 | 0 | 0 | 0 | 111.5 | H297 A298 R303 S304 L305 V510 R511 Y514 | H297-L301 PolarHBondContact O-N 3.37Å; H297-L301 VanDerWaalsContact O-N 3.11Å; A298-L301 PolarHBondContact O-N 2.89Å; L301-R303 VanDerWaalsContact C-N 3.33Å; L301-R303 PolarHBondContact O-N 3.33Å; L301-S304 PolarHBondContact O-N 3.21Å; L301-L305 HydrophobicContact CD1-CD1 4.2Å; L301-L305 HydrophobicContact CD1-CG 4.21Å; L301-L305 HydrophobicContact CG-CD1 4.15Å; L301-L305 WeakPolarHBondContact O-CG 3.19Å; L301-L305 PolarHBondContact O-N 2.98Å; L301-V510 HydrophobicContact CD1-CG1 3.81Å; L301-R511 HydrophobicContact CD1-CG 4.49Å; L301-Y514 HydrophobicContact CB-CD1 4.28Å; L301-Y514 HydrophobicContact CB-CG 4.29Å; L301-Y514 HydrophobicContact CD1-CD2 3.81Å; L301-Y514 HydrophobicContact CD1-CE2 4.41Å; L301-Y514 HydrophobicContact CD1-CG 4.01Å |
| 302 | T | 87.7 | Confident | 81.2 | Confident | 29 Ų | 29 | 51.7 Ų | 51.7 | 18% | 0.178 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.5 | -42 | 177.3 | -64 | 0 | 0 | 0 | 0 | 112.2 | A298 T299 Y300 L305 L306 V449 | A298-T302 PolarHBondContact O-N 3.32Å; A298-T302 PolarHBondContact O-OG1 3.39Å; T299-T302 PolarHBondContact O-N 3.46Å; Y300-T302 PolarHBondContact O-N 3.1Å; T302-L305 PolarHBondContact O-N 3.3Å; T302-L306 WeakPolarHBondContact O-CB 3.37Å; T302-L306 PolarHBondContact O-N 2.94Å; T302-V449 HydrophobicContact CG2-CB 4.12Å; T302-V449 HydrophobicContact CG2-CG1 3.77Å; T302-V449 HydrophobicContact CG2-CG2 4.2Å |
| 303 | R | 88.5 | Confident | 83.3 | Confident | 82 Ų | 82 | 48.3 Ų | 48.3 | 31% | 0.309 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 176.6 | -73.4 | -179.4 | -178.4 | -172.2 | 4.3 | 111.9 | T299 Y300 L301 L306 I307 | T299-R303 WeakPolarHBondContact O-CG 3.48Å; T299-R303 PolarHBondContact O-N 3.27Å; Y300-R303 PolarHBondContact O-N 3.45Å; L301-R303 VanDerWaalsContact C-N 3.33Å; L301-R303 PolarHBondContact O-N 3.33Å; R303-L306 PolarHBondContact O-N 3.15Å; R303-I307 WeakPolarHBondContact O-CG1 3.44Å; R303-I307 PolarHBondContact O-N 2.77Å |
| 304 | S | 90.8 | Very high | 85.5 | Confident | 35 Ų | 35 | 45.5 Ų | 45.5 | 25% | 0.245 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.4 | -44.4 | 176.6 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | Y300 L301 I307 V308 Y514 | Y300-S304 PolarHBondContact O-N 3.47Å; Y300-S304 PolarHBondContact O-OG 3.39Å; L301-S304 PolarHBondContact O-N 3.21Å; S304-I307 PolarHBondContact O-N 3.13Å; S304-V308 WeakPolarHBondContact O-CG2 3.48Å; S304-V308 PolarHBondContact O-N 3.2Å; S304-Y514 PolarHBondContact OG-OH 3.06Å |
| 305 | L | 91.7 | Very high | 87.2 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.9 | -39.9 | 176.6 | -70.2 | 176.5 | 0 | 0 | 0 | 112.2 | L301 T302 I307 V308 Y309 W448 E507 V510 | L301-L305 HydrophobicContact CD1-CD1 4.2Å; L301-L305 HydrophobicContact CD1-CG 4.21Å; L301-L305 HydrophobicContact CG-CD1 4.15Å; L301-L305 WeakPolarHBondContact O-CG 3.19Å; L301-L305 PolarHBondContact O-N 2.98Å; T302-L305 PolarHBondContact O-N 3.3Å; L305-I307 VanDerWaalsContact C-N 3.34Å; L305-I307 PolarHBondContact O-N 3.32Å; L305-V308 PolarHBondContact O-N 3.5Å; L305-Y309 WeakPolarHBondContact O-CB 3.34Å; L305-Y309 PolarHBondContact O-N 3.27Å; L305-W448 HydrophobicContact CB-CB 4.28Å; L305-W448 HydrophobicContact CB-CD2 4.43Å; L305-W448 HydrophobicContact CB-CE3 4Å; L305-W448 HydrophobicContact CD1-CB 4.45Å; L305-W448 HydrophobicContact CD2-CE3 4.4Å; L305-E507 HydrophobicContact CD2-CG 4.18Å; L305-V510 HydrophobicContact CD2-CG1 4.13Å; L305-V510 HydrophobicContact CG-CG1 4.5Å |
| 306 | L | 92.9 | Very high | 88.7 | Confident | 24 Ų | 24 | 43.3 Ų | 43.3 | 13% | 0.126 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.9 | -42 | 175.2 | 177.6 | 59 | 0 | 0 | 0 | 111.8 | T302 R303 Y309 I310 L445 V449 | T302-L306 WeakPolarHBondContact O-CB 3.37Å; T302-L306 PolarHBondContact O-N 2.94Å; R303-L306 PolarHBondContact O-N 3.15Å; L306-Y309 PolarHBondContact O-N 2.85Å; L306-I310 HydrophobicContact CD1-CD1 3.8Å; L306-I310 HydrophobicContact CD1-CG1 4.05Å; L306-I310 HydrophobicContact CG-CD1 3.81Å; L306-I310 HydrophobicContact CG-CG1 4.47Å; L306-I310 WeakPolarHBondContact O-CB 3.25Å; L306-I310 VanDerWaalsContact O-CG1 3.25Å; L306-I310 WeakPolarHBondContact O-CG1 3.49Å; L306-I310 PolarHBondContact O-N 3.25Å; L306-L445 HydrophobicContact CD1-CD1 3.85Å; L306-V449 HydrophobicContact CB-CG2 4.01Å; L306-V449 HydrophobicContact CD1-CG2 4.13Å |
| 307 | I | 93.6 | Very high | 90 | Very high | 100 Ų | 100 | 36.8 Ų | 36.8 | 51% | 0.513 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.2 | -47.6 | 176.8 | -67.7 | 164.6 | 0 | 0 | 0 | 110.7 | R303 S304 L305 Y309 I310 I311 | R303-I307 WeakPolarHBondContact O-CG1 3.44Å; R303-I307 PolarHBondContact O-N 2.77Å; S304-I307 PolarHBondContact O-N 3.13Å; L305-I307 VanDerWaalsContact C-N 3.34Å; L305-I307 PolarHBondContact O-N 3.32Å; I307-Y309 VanDerWaalsContact C-N 3.29Å; I307-Y309 PolarHBondContact O-N 3.22Å; I307-I310 PolarHBondContact O-N 2.9Å; I307-I311 HydrophobicContact CG2-CD1 3.8Å; I307-I311 WeakPolarHBondContact O-CG1 3.08Å; I307-I311 PolarHBondContact O-N 3.25Å |
| 308 | V | 94.1 | Very high | 91.3 | Very high | 15 Ų | 15 | 35 Ų | 35 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.8 | -44.7 | 176.3 | 171 | 0 | 0 | 0 | 0 | 110.9 | S304 L305 G312 W448 T503 L506 V510 | S304-V308 WeakPolarHBondContact O-CG2 3.48Å; S304-V308 PolarHBondContact O-N 3.2Å; L305-V308 PolarHBondContact O-N 3.5Å; V308-G312 PolarHBondContact O-N 3.32Å; V308-W448 HydrophobicContact CB-CZ3 4.41Å; V308-W448 HydrophobicContact CG1-CH2 4.33Å; V308-W448 HydrophobicContact CG1-CZ3 4.1Å; V308-T503 HydrophobicContact CG1-CG2 4.27Å; V308-T503 WeakPolarHBondContact CG1-O 3.34Å; V308-L506 HydrophobicContact CG1-CB 4.21Å; V308-L506 HydrophobicContact CG2-CB 4.36Å; V308-V510 HydrophobicContact CG2-CG2 4.46Å |
| 309 | Y | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.4 | -48.6 | 177.9 | 176.5 | -96.8 | 0 | 0 | 0 | 111.8 | L305 L306 I307 I311 G312 K313 L376 M441 V444 L445 W448 T461 | L305-Y309 WeakPolarHBondContact O-CB 3.34Å; L305-Y309 PolarHBondContact O-N 3.27Å; L306-Y309 PolarHBondContact O-N 2.85Å; I307-Y309 VanDerWaalsContact C-N 3.29Å; I307-Y309 PolarHBondContact O-N 3.22Å; Y309-I311 PolarHBondContact O-N 3.47Å; Y309-G312 PolarHBondContact O-N 3.2Å; Y309-K313 HydrophobicContact CE1-CB 4.29Å; Y309-K313 HydrophobicContact CE1-CG 4.42Å; Y309-K313 WeakPolarHBondContact O-CB 3.04Å; Y309-K313 PolarHBondContact O-N 2.99Å; Y309-L376 HydrophobicContact CE2-CD2 4.47Å; Y309-M441 WeakPolarHBondContact OH-CG 3.34Å; Y309-M441 PolarHBondContact OH-O 3.42Å; Y309-V444 HydrophobicContact CD2-CG1 3.92Å; Y309-V444 HydrophobicContact CE2-CB 4.24Å; Y309-V444 HydrophobicContact CE2-CG1 3.96Å; Y309-L445 HydrophobicContact CD1-CD1 3.65Å; Y309-L445 HydrophobicContact CE1-CB 4.02Å; Y309-L445 HydrophobicContact CE1-CD1 3.74Å; Y309-L445 HydrophobicContact CE1-CD2 3.99Å; Y309-L445 HydrophobicContact CE1-CG 4.13Å; Y309-L445 HydrophobicContact CE2-CB 4.23Å; Y309-L445 HydrophobicContact CG-CD1 4.19Å; Y309-W448 HydrophobicContact CD2-CE3 4.35Å; Y309-W448 HydrophobicContact CD2-CZ3 4.35Å; Y309-W448 HydrophobicContact CG-CE3 4.43Å; Y309-W448 HydrophobicContact CG-CZ3 4.5Å; Y309-T461 HydrophobicContact CD1-CG2 4.37Å; Y309-T461 HydrophobicContact CE1-CG2 3.82Å |
| 310 | I | 94.9 | Very high | 93.1 | Very high | 18 Ų | 18 | 31.3 Ų | 31.3 | 9% | 0.092 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.3 | -50.1 | -179.5 | -71.7 | 164.6 | 0 | 0 | 0 | 110 | L306 I307 K313 T314 I460 T461 I464 | L306-I310 HydrophobicContact CD1-CD1 3.8Å; L306-I310 HydrophobicContact CD1-CG1 4.05Å; L306-I310 HydrophobicContact CG-CD1 3.81Å; L306-I310 HydrophobicContact CG-CG1 4.47Å; L306-I310 WeakPolarHBondContact O-CB 3.25Å; L306-I310 VanDerWaalsContact O-CG1 3.25Å; L306-I310 WeakPolarHBondContact O-CG1 3.49Å; L306-I310 PolarHBondContact O-N 3.25Å; I307-I310 PolarHBondContact O-N 2.9Å; I310-K313 PolarHBondContact O-N 3.49Å; I310-T314 VanDerWaalsContact O-CB 3.28Å; I310-T314 WeakPolarHBondContact O-CB 3.47Å; I310-T314 PolarHBondContact O-N 2.81Å; I310-T314 PolarHBondContact O-OG1 2.95Å; I310-I460 HydrophobicContact CD1-CG2 4.11Å; I310-T461 HydrophobicContact CG1-CG2 4.35Å; I310-I464 HydrophobicContact CD1-CD1 4.13Å; I310-I464 HydrophobicContact CG2-CB 4.16Å; I310-I464 HydrophobicContact CG2-CD1 3.78Å; I310-I464 HydrophobicContact CG2-CG2 3.75Å |
| 311 | I | 95.2 | Very high | 93.6 | Very high | 76 Ų | 76 | 27.1 Ų | 27.1 | 39% | 0.39 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -62.1 | -50.3 | -178.7 | -62.5 | 167.7 | 0 | 0 | 0 | 110.6 | I307 Y309 K313 T314 F315 T503 | I307-I311 HydrophobicContact CG2-CD1 3.8Å; I307-I311 WeakPolarHBondContact O-CG1 3.08Å; I307-I311 PolarHBondContact O-N 3.25Å; Y309-I311 PolarHBondContact O-N 3.47Å; I311-K313 PolarHBondContact O-N 3.13Å; I311-T314 PolarHBondContact O-N 2.95Å; I311-F315 HydrophobicContact CG2-CD2 4.28Å; I311-F315 HydrophobicContact CG2-CE2 4.12Å; I311-F315 PolarHBondContact O-N 3.37Å; I311-F315 VanDerWaalsContact O-N 3.12Å; I311-T503 HydrophobicContact CB-CG2 4.05Å; I311-T503 HydrophobicContact CG2-CG2 3.89Å |
| 312 | G | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.4 | -43.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V308 Y309 G316 A500 | V308-G312 PolarHBondContact O-N 3.32Å; Y309-G312 PolarHBondContact O-N 3.2Å; G312-G316 PolarHBondContact O-N 3.4Å; G312-A500 VanDerWaalsContact O-CB 3.29Å; G312-A500 WeakPolarHBondContact O-CB 3.39Å |
| 313 | K | 94.2 | Very high | 94.5 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 1% | 0.013 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.5 | -43.5 | 178.6 | -175 | 57.8 | 158.3 | 86.4 | 0 | 112.2 | Y309 I310 I311 G316 D317 M441 T461 | Y309-K313 HydrophobicContact CE1-CB 4.29Å; Y309-K313 HydrophobicContact CE1-CG 4.42Å; Y309-K313 WeakPolarHBondContact O-CB 3.04Å; Y309-K313 PolarHBondContact O-N 2.99Å; I310-K313 PolarHBondContact O-N 3.49Å; I311-K313 PolarHBondContact O-N 3.13Å; K313-G316 PolarHBondContact O-N 3.27Å; K313-D317 IonicContact NZ-OD1 2.8Å; K313-D317 PolarHBondContact NZ-OD1 3.1Å; K313-D317 IonicContact NZ-OD2 3.37Å; K313-D317 PolarHBondContact NZ-OD2 3.41Å; K313-D317 WeakPolarHBondContact O-CB 3.42Å; K313-D317 PolarHBondContact O-N 3.32Å; K313-M441 WeakPolarHBondContact CE-SD 3.47Å; K313-M441 PolarHBondContact NZ-SD 3.19Å; K313-T461 HydrophobicContact CG-CG2 4.25Å |
| 314 | T | 94.7 | Very high | 94.7 | Very high | 11 Ų | 11 | 20.3 Ų | 20.3 | 7% | 0.067 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.2 | -47.9 | 179.6 | -65.7 | 0 | 0 | 0 | 0 | 111.3 | I310 I311 V318 L465 A468 | I310-T314 VanDerWaalsContact O-CB 3.28Å; I310-T314 WeakPolarHBondContact O-CB 3.47Å; I310-T314 PolarHBondContact O-N 2.81Å; I310-T314 PolarHBondContact O-OG1 2.95Å; I311-T314 PolarHBondContact O-N 2.95Å; T314-V318 HydrophobicContact CG2-CG2 4.49Å; T314-V318 WeakPolarHBondContact O-CB 3.05Å; T314-V318 WeakPolarHBondContact O-CG2 3.46Å; T314-V318 PolarHBondContact O-N 3.15Å; T314-L465 HydrophobicContact CG2-CD1 4.47Å; T314-A468 HydrophobicContact CG2-CB 3.28Å |
| 315 | F | 95.7 | Very high | 94.9 | Very high | 91 Ų | 91 | 18.7 Ų | 18.7 | 40% | 0.399 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -65.4 | -41.2 | 175.1 | -72.5 | -20.3 | 0 | 0 | 0 | 112.5 | I311 D317 V318 G319 I496 C499 A500 | I311-F315 HydrophobicContact CG2-CD2 4.28Å; I311-F315 HydrophobicContact CG2-CE2 4.12Å; I311-F315 PolarHBondContact O-N 3.37Å; I311-F315 VanDerWaalsContact O-N 3.12Å; F315-D317 PolarHBondContact O-N 2.92Å; F315-V318 PolarHBondContact O-N 3.29Å; F315-G319 PolarHBondContact O-N 3.5Å; F315-I496 HydrophobicContact CB-CG2 3.82Å; F315-I496 HydrophobicContact CD1-CG2 4.3Å; F315-I496 HydrophobicContact CG-CG2 4.22Å; F315-I496 VanDerWaalsContact O-CG2 3.28Å; F315-I496 WeakPolarHBondContact O-CG2 3.19Å; F315-C499 HydrophobicContact CD2-CB 4.35Å; F315-A500 HydrophobicContact CB-CB 3.74Å |
| 316 | G | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -56.3 | -50.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G312 K313 G319 D320 W380 L497 A500 | G312-G316 PolarHBondContact O-N 3.4Å; K313-G316 PolarHBondContact O-N 3.27Å; G316-G319 PolarHBondContact O-N 3.28Å; G316-D320 WeakPolarHBondContact O-CB 3.43Å; G316-D320 PolarHBondContact O-N 3.18Å; G316-W380 WeakPolarHBondContact O-CH2 3.25Å; G316-W380 WeakPolarHBondContact O-CZ3 3.19Å; G316-L497 WeakPolarHBondContact O-CD2 3.47Å; G316-A500 VanDerWaalsContact N-CB 3.3Å |
| 317 | D | 95.1 | Very high | 95.3 | Very high | 12 Ų | 12 | 17.8 Ų | 17.8 | 6% | 0.064 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69.7 | -38.7 | -179.3 | -72.8 | -9.5 | 0 | 0 | 0 | 113.5 | K313 F315 G319 D320 V321 L465 | K313-D317 IonicContact NZ-OD1 2.8Å; K313-D317 PolarHBondContact NZ-OD1 3.1Å; K313-D317 IonicContact NZ-OD2 3.37Å; K313-D317 PolarHBondContact NZ-OD2 3.41Å; K313-D317 WeakPolarHBondContact O-CB 3.42Å; K313-D317 PolarHBondContact O-N 3.32Å; F315-D317 PolarHBondContact O-N 2.92Å; D317-G319 VanDerWaalsContact C-N 3.26Å; D317-G319 PolarHBondContact O-N 3.01Å; D317-D320 PolarHBondContact O-N 3.4Å; D317-V321 WeakPolarHBondContact O-CB 3.34Å; D317-V321 VanDerWaalsContact O-CG2 3.26Å; D317-V321 WeakPolarHBondContact O-CG2 3.45Å; D317-V321 PolarHBondContact O-N 3.01Å; D317-L465 HydrophobicContact CB-CD1 3.44Å; D317-L465 VanDerWaalsContact CB-CD1 3.44Å; D317-L465 HydrophobicContact CB-CD2 4.41Å; D317-L465 WeakPolarHBondContact OD2-CD1 3.41Å; D317-L465 WeakPolarHBondContact OD2-CD2 3.14Å |
| 318 | V | 96.1 | Very high | 95.3 | Very high | 9 Ų | 9 | 13.2 Ų | 13.2 | 6% | 0.055 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -57.7 | -47.1 | 174.8 | 168.6 | 0 | 0 | 0 | 0 | 109.2 | T314 F315 S322 A468 I469 Q473 | T314-V318 HydrophobicContact CG2-CG2 4.49Å; T314-V318 WeakPolarHBondContact O-CB 3.05Å; T314-V318 WeakPolarHBondContact O-CG2 3.46Å; T314-V318 PolarHBondContact O-N 3.15Å; F315-V318 PolarHBondContact O-N 3.29Å; V318-S322 WeakPolarHBondContact O-CB 3.34Å; V318-S322 PolarHBondContact O-N 3.43Å; V318-S322 PolarHBondContact O-OG 3.36Å; V318-A468 HydrophobicContact CG2-CB 4.29Å; V318-I469 HydrophobicContact CG2-CG1 4.15Å; V318-Q473 PolarHBondContact O-NE2 3.07Å |
| 319 | G | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.5 | -46.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | F315 G316 D317 S322 V323 | F315-G319 PolarHBondContact O-N 3.5Å; G316-G319 PolarHBondContact O-N 3.28Å; D317-G319 VanDerWaalsContact C-N 3.26Å; D317-G319 PolarHBondContact O-N 3.01Å; G319-S322 PolarHBondContact O-N 3.08Å; G319-V323 WeakPolarHBondContact O-CG2 3.12Å; G319-V323 PolarHBondContact O-N 3.1Å |
| 320 | D | 96.2 | Very high | 95.4 | Very high | 11 Ų | 11 | 12.9 Ų | 12.9 | 6% | 0.059 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -58.6 | -49.5 | 178.9 | -175.7 | 68.1 | 0 | 0 | 0 | 112.1 | K30 G316 D317 S322 V323 S324 W380 H430 S434 | K30-D320 IonicContact NZ-OD2 3.36Å; G316-D320 WeakPolarHBondContact O-CB 3.43Å; G316-D320 PolarHBondContact O-N 3.18Å; D317-D320 PolarHBondContact O-N 3.4Å; D320-S322 VanDerWaalsContact C-N 3.29Å; D320-S322 PolarHBondContact O-N 3.15Å; D320-V323 PolarHBondContact O-N 2.88Å; D320-S324 WeakPolarHBondContact O-CB 3.44Å; D320-S324 PolarHBondContact O-N 3.15Å; D320-W380 HydrophobicContact CB-CH2 3.93Å; D320-W380 HydrophobicContact CB-CZ3 3.78Å; D320-H430 IonicContact OD1-CE1 3.03Å; D320-H430 PolarHBondContact OD1-CE1 3.39Å; D320-H430 IonicContact OD1-ND1 3.15Å; D320-S434 WeakPolarHBondContact OD1-CB 3.45Å |
| 321 | V | 95 | Very high | 95.4 | Very high | 12 Ų | 12 | 12 Ų | 12 | 7% | 0.073 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 178.5 | 174 | 0 | 0 | 0 | 0 | 110.2 | Y58 D317 S324 F325 Q473 | Y58-V321 HydrophobicContact CD2-CG1 4.03Å; Y58-V321 HydrophobicContact CE2-CG1 3.88Å; D317-V321 WeakPolarHBondContact O-CB 3.34Å; D317-V321 VanDerWaalsContact O-CG2 3.26Å; D317-V321 WeakPolarHBondContact O-CG2 3.45Å; D317-V321 PolarHBondContact O-N 3.01Å; V321-S324 PolarHBondContact O-N 3.43Å; V321-F325 HydrophobicContact CG1-CD1 4.4Å; V321-F325 HydrophobicContact CG1-CE1 4.1Å; V321-F325 HydrophobicContact CG1-CE2 4.26Å; V321-F325 HydrophobicContact CG1-CZ 4.04Å; V321-F325 PolarHBondContact O-N 3.05Å; V321-Q473 HydrophobicContact CG1-CG 4.27Å |
| 322 | S | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | 176.9 | -66.2 | 0 | 0 | 0 | 0 | 112.7 | V318 G319 D320 S324 F325 I326 Q473 M476 C493 | V318-S322 WeakPolarHBondContact O-CB 3.34Å; V318-S322 PolarHBondContact O-N 3.43Å; V318-S322 PolarHBondContact O-OG 3.36Å; G319-S322 PolarHBondContact O-N 3.08Å; D320-S322 VanDerWaalsContact C-N 3.29Å; D320-S322 PolarHBondContact O-N 3.15Å; S322-S324 VanDerWaalsContact C-N 3.31Å; S322-S324 PolarHBondContact O-N 3.26Å; S322-F325 PolarHBondContact O-N 2.96Å; S322-I326 WeakPolarHBondContact O-CB 3.42Å; S322-I326 WeakPolarHBondContact O-CD1 3.3Å; S322-I326 WeakPolarHBondContact O-CG1 3.21Å; S322-I326 PolarHBondContact O-N 3.36Å; S322-Q473 VanDerWaalsContact CA-OE1 3.23Å; S322-Q473 PolarHBondContact OG-NE2 2.97Å; S322-Q473 PolarHBondContact OG-OE1 2.8Å; S322-M476 WeakPolarHBondContact OG-CG 3.47Å; S322-C493 WeakPolarHBondContact CB-SG 3.44Å |
| 323 | V | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 174.7 | 175 | 0 | 0 | 0 | 0 | 110.4 | G319 D320 F325 I326 A327 A387 F390 C493 L497 | G319-V323 WeakPolarHBondContact O-CG2 3.12Å; G319-V323 PolarHBondContact O-N 3.1Å; D320-V323 PolarHBondContact O-N 2.88Å; V323-F325 VanDerWaalsContact C-N 3.28Å; V323-F325 PolarHBondContact O-N 3.33Å; V323-I326 PolarHBondContact O-N 3.31Å; V323-A327 VanDerWaalsContact O-CB 3.26Å; V323-A327 WeakPolarHBondContact O-CB 3.44Å; V323-A327 PolarHBondContact O-N 3.22Å; V323-A387 HydrophobicContact CG2-CB 3.93Å; V323-F390 HydrophobicContact CG1-CD2 4.31Å; V323-F390 HydrophobicContact CG1-CE2 4.15Å; V323-C493 HydrophobicContact CG2-CB 4.15Å; V323-L497 HydrophobicContact CG2-CD1 4.1Å |
| 324 | S | 94.2 | Very high | 95.2 | Very high | 8 Ų | 8 | 14.6 Ų | 14.6 | 6% | 0.056 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.1 | -33.1 | 177 | -172.4 | 0 | 0 | 0 | 0 | 113 | D320 V321 S322 P328 | D320-S324 WeakPolarHBondContact O-CB 3.44Å; D320-S324 PolarHBondContact O-N 3.15Å; V321-S324 PolarHBondContact O-N 3.43Å; S322-S324 VanDerWaalsContact C-N 3.31Å; S322-S324 PolarHBondContact O-N 3.26Å; S324-P328 WeakPolarHBondContact O-CD 3.36Å |
| 325 | F | 95.1 | Very high | 95 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -77.8 | -43.8 | 175.9 | -77.4 | 8.5 | 0 | 0 | 0 | 111.9 | Y32 S33 F51 Y58 V321 S322 V323 Q473 | Y32-F325 AromaticContact CD1-CD1 3.96Å; Y32-F325 HydrophobicContact CD1-CD1 3.96Å; Y32-F325 HydrophobicContact CD1-CD2 4.15Å; Y32-F325 AromaticContact CD1-CE1 3.52Å; Y32-F325 HydrophobicContact CD1-CE1 3.52Å; Y32-F325 AromaticContact CD1-CE2 3.75Å; Y32-F325 HydrophobicContact CD1-CE2 3.75Å; Y32-F325 HydrophobicContact CD1-CG 4.25Å; Y32-F325 AromaticContact CD1-CZ 3.4Å; Y32-F325 HydrophobicContact CD1-CZ 3.4Å; Y32-F325 HydrophobicContact CE1-CD2 4.34Å; Y32-F325 HydrophobicContact CE1-CE1 4.46Å; Y32-F325 AromaticContact CE1-CE2 3.9Å; Y32-F325 HydrophobicContact CE1-CE2 3.9Å; Y32-F325 AromaticContact CE1-CZ 3.94Å; Y32-F325 HydrophobicContact CE1-CZ 3.94Å; Y32-F325 HydrophobicContact CG-CE1 4.02Å; Y32-F325 HydrophobicContact CG-CZ 4.06Å; S33-F325 WeakPolarHBondContact CB-O 3.07Å; F51-F325 HydrophobicContact CD1-CB 4.39Å; F51-F325 HydrophobicContact CD1-CD2 4.07Å; F51-F325 HydrophobicContact CE1-CB 3.74Å; F51-F325 HydrophobicContact CE1-CD2 4.27Å; F51-F325 HydrophobicContact CG-CD2 4.46Å; F51-F325 HydrophobicContact CZ-CB 3.93Å; Y58-F325 HydrophobicContact CD2-CZ 4.34Å; Y58-F325 AromaticContact CE2-CE1 3.99Å; Y58-F325 HydrophobicContact CE2-CE1 3.99Å; Y58-F325 AromaticContact CE2-CZ 3.79Å; Y58-F325 HydrophobicContact CE2-CZ 3.79Å; V321-F325 HydrophobicContact CG1-CD1 4.4Å; V321-F325 HydrophobicContact CG1-CE1 4.1Å; V321-F325 HydrophobicContact CG1-CE2 4.26Å; V321-F325 HydrophobicContact CG1-CZ 4.04Å; V321-F325 PolarHBondContact O-N 3.05Å; S322-F325 PolarHBondContact O-N 2.96Å; V323-F325 VanDerWaalsContact C-N 3.28Å; V323-F325 PolarHBondContact O-N 3.33Å; F325-Q473 HydrophobicContact CD2-CG 4.47Å; F325-Q473 HydrophobicContact CE2-CG 4.22Å |
| 326 | I | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -76.3 | -39.9 | -173.1 | -63.4 | 164.1 | 0 | 0 | 0 | 111.8 | F51 S322 V323 V329 F330 M476 F486 L490 | F51-I326 HydrophobicContact CE1-CD1 4.45Å; F51-I326 HydrophobicContact CE1-CG1 3.66Å; F51-I326 HydrophobicContact CZ-CG1 3.78Å; S322-I326 WeakPolarHBondContact O-CB 3.42Å; S322-I326 WeakPolarHBondContact O-CD1 3.3Å; S322-I326 WeakPolarHBondContact O-CG1 3.21Å; S322-I326 PolarHBondContact O-N 3.36Å; V323-I326 PolarHBondContact O-N 3.31Å; I326-V329 WeakPolarHBondContact O-CG2 3.29Å; I326-V329 PolarHBondContact O-N 3.36Å; I326-F330 HydrophobicContact CG2-CB 4.1Å; I326-F330 WeakPolarHBondContact O-CB 3.42Å; I326-F330 PolarHBondContact O-N 2.92Å; I326-M476 HydrophobicContact CD1-CB 4.17Å; I326-M476 HydrophobicContact CD1-CG 4.39Å; I326-F486 HydrophobicContact CG1-CD1 4.19Å; I326-F486 HydrophobicContact CG2-CB 3.63Å; I326-F486 HydrophobicContact CG2-CD1 3.85Å; I326-F486 HydrophobicContact CG2-CG 3.9Å; I326-L490 HydrophobicContact CB-CD2 4.28Å; I326-L490 HydrophobicContact CG2-CD1 4.12Å; I326-L490 HydrophobicContact CG2-CD2 3.86Å; I326-L490 HydrophobicContact CG2-CG 3.71Å |
| 327 | A | 95.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 16.3 Ų | 16.3 | 6% | 0.058 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -55.3 | -46.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V323 F330 G331 F390 Y423 | V323-A327 VanDerWaalsContact O-CB 3.26Å; V323-A327 WeakPolarHBondContact O-CB 3.44Å; V323-A327 PolarHBondContact O-N 3.22Å; A327-F330 PolarHBondContact O-N 3.45Å; A327-G331 PolarHBondContact O-N 3.48Å; A327-F390 HydrophobicContact CB-CE1 4.09Å; A327-F390 HydrophobicContact CB-CE2 4.32Å; A327-F390 HydrophobicContact CB-CZ 3.87Å; A327-Y423 PolarHBondContact O-OH 2.92Å |
| 328 | P | 94.7 | Very high | 94.6 | Very high | 4 Ų | 4 | 18.6 Ų | 18.6 | 3% | 0.026 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.7 | -46.7 | 177.9 | -26.7 | 40.2 | 0 | 0 | 0 | 114 | S33 L34 S324 F330 G331 T332 I341 I345 | S33-P328 WeakPolarHBondContact OG-CB 3.05Å; S33-P328 VanDerWaalsContact OG-CG 3.28Å; S33-P328 WeakPolarHBondContact OG-CG 3.33Å; L34-P328 HydrophobicContact CD2-CB 4.12Å; S324-P328 WeakPolarHBondContact O-CD 3.36Å; P328-F330 VanDerWaalsContact C-N 3.3Å; P328-F330 PolarHBondContact O-N 3.33Å; P328-G331 WeakPolarHBondContact O-CA 3.49Å; P328-G331 PolarHBondContact O-N 3.41Å; P328-G331 VanDerWaalsContact O-N 3.07Å; P328-T332 PolarHBondContact O-N 3.38Å; P328-I341 HydrophobicContact CB-CG2 4.02Å; P328-I345 HydrophobicContact CB-CD1 3.98Å; P328-I345 HydrophobicContact CG-CD1 3.66Å; P328-I345 HydrophobicContact CG-CG1 4.11Å |
| 329 | V | 94.8 | Very high | 94.5 | Very high | 7 Ų | 7 | 21.9 Ų | 21.9 | 4% | 0.042 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.6 | -32.9 | 179.1 | -67.8 | 0 | 0 | 0 | 0 | 112.1 | M36 E37 I326 G331 T332 E333 F486 | M36-V329 HydrophobicContact CE-CG1 3.63Å; E37-V329 HydrophobicContact CB-CG1 4.09Å; E37-V329 HydrophobicContact CG-CG1 4.46Å; I326-V329 WeakPolarHBondContact O-CG2 3.29Å; I326-V329 PolarHBondContact O-N 3.36Å; V329-G331 VanDerWaalsContact C-N 3.31Å; V329-T332 WeakPolarHBondContact O-CB 3.23Å; V329-T332 PolarHBondContact O-N 3.26Å; V329-E333 PolarHBondContact O-N 3.5Å; V329-F486 HydrophobicContact CB-CE2 4.03Å; V329-F486 HydrophobicContact CB-CZ 4.3Å; V329-F486 HydrophobicContact CG2-CD1 4.39Å; V329-F486 HydrophobicContact CG2-CD2 4.05Å; V329-F486 HydrophobicContact CG2-CE1 4.03Å; V329-F486 HydrophobicContact CG2-CE2 3.67Å; V329-F486 HydrophobicContact CG2-CG 4.41Å; V329-F486 HydrophobicContact CG2-CZ 3.66Å |
| 330 | F | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.7 | -34 | 171.8 | -175.1 | -115.8 | 0 | 0 | 0 | 111.5 | I326 A327 P328 T332 E333 L334 F390 L393 F486 V487 L490 | I326-F330 HydrophobicContact CG2-CB 4.1Å; I326-F330 WeakPolarHBondContact O-CB 3.42Å; I326-F330 PolarHBondContact O-N 2.92Å; A327-F330 PolarHBondContact O-N 3.45Å; P328-F330 VanDerWaalsContact C-N 3.3Å; P328-F330 PolarHBondContact O-N 3.33Å; F330-T332 VanDerWaalsContact C-N 3.28Å; F330-T332 PolarHBondContact O-N 2.85Å; F330-E333 HydrophobicContact CD2-CB 4.27Å; F330-E333 WeakPolarHBondContact O-CB 3.44Å; F330-E333 PolarHBondContact O-N 3.36Å; F330-L334 HydrophobicContact CD1-CD1 3.9Å; F330-L334 HydrophobicContact CD1-CG 4.37Å; F330-L334 HydrophobicContact CE1-CD1 3.57Å; F330-L334 HydrophobicContact CE1-CD2 4.31Å; F330-L334 HydrophobicContact CE1-CG 4.06Å; F330-L334 HydrophobicContact CE2-CD2 4.37Å; F330-L334 HydrophobicContact CE2-CG 4.43Å; F330-L334 HydrophobicContact CZ-CD1 4.09Å; F330-L334 HydrophobicContact CZ-CD2 3.96Å; F330-L334 HydrophobicContact CZ-CG 4.11Å; F330-L334 VanDerWaalsContact O-CG 3.29Å; F330-L334 WeakPolarHBondContact O-CG 3.46Å; F330-L334 PolarHBondContact O-N 3.24Å; F330-F390 WeakPolarHBondContact CE1-O 3.29Å; F330-L393 HydrophobicContact CE1-CB 4.27Å; F330-F486 HydrophobicContact CB-CB 4.35Å; F330-F486 HydrophobicContact CD2-CB 3.9Å; F330-F486 HydrophobicContact CG-CB 4.49Å; F330-V487 HydrophobicContact CE2-CG2 3.87Å; F330-V487 HydrophobicContact CZ-CG2 4.2Å; F330-L490 HydrophobicContact CD1-CD1 3.8Å; F330-L490 HydrophobicContact CD2-CD1 4.25Å; F330-L490 HydrophobicContact CE1-CD1 3.96Å; F330-L490 HydrophobicContact CE2-CD1 4.38Å; F330-L490 HydrophobicContact CG-CD1 3.94Å; F330-L490 HydrophobicContact CZ-CD1 4.23Å |
| 331 | G | 95.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.6 | -40.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A327 P328 V329 L334 L336 | A327-G331 PolarHBondContact O-N 3.48Å; P328-G331 WeakPolarHBondContact O-CA 3.49Å; P328-G331 PolarHBondContact O-N 3.41Å; P328-G331 VanDerWaalsContact O-N 3.07Å; V329-G331 VanDerWaalsContact C-N 3.31Å; G331-L334 PolarHBondContact O-N 3.4Å; G331-L336 VanDerWaalsContact O-CB 3.31Å; G331-L336 WeakPolarHBondContact O-CB 3.4Å; G331-L336 PolarHBondContact O-N 3.46Å; G331-L336 VanDerWaalsContact O-N 3.1Å |
| 332 | T | 93.3 | Very high | 94.5 | Very high | 59 Ų | 59 | 22.6 Ų | 22.6 | 36% | 0.362 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -68.1 | -40.2 | 173.4 | -52.2 | 0 | 0 | 0 | 0 | 111.8 | E37 P328 V329 F330 L334 A335 | E37-T332 WeakPolarHBondContact OE1-CB 3.11Å; E37-T332 WeakPolarHBondContact OE1-CG2 3.48Å; E37-T332 PolarHBondContact OE1-OG1 2.83Å; P328-T332 PolarHBondContact O-N 3.38Å; V329-T332 WeakPolarHBondContact O-CB 3.23Å; V329-T332 PolarHBondContact O-N 3.26Å; F330-T332 VanDerWaalsContact C-N 3.28Å; F330-T332 PolarHBondContact O-N 2.85Å; T332-L334 PolarHBondContact O-N 2.98Å; T332-A335 WeakPolarHBondContact O-CA 3.46Å; T332-A335 PolarHBondContact O-N 2.85Å |
| 333 | E | 92.8 | Very high | 94.6 | Very high | 70 Ų | 70 | 30.3 Ų | 30.3 | 33% | 0.327 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -57.2 | -37.1 | 173.2 | -170 | -174.8 | 137.7 | 0 | 0 | 111.7 | V329 F330 A335 T485 F486 | V329-E333 PolarHBondContact O-N 3.5Å; F330-E333 HydrophobicContact CD2-CB 4.27Å; F330-E333 WeakPolarHBondContact O-CB 3.44Å; F330-E333 PolarHBondContact O-N 3.36Å; E333-A335 PolarHBondContact O-N 3Å; E333-T485 WeakPolarHBondContact OE1-CB 3.34Å; E333-T485 PolarHBondContact OE1-OG1 3.41Å; E333-F486 VanDerWaalsContact OE2-CD2 3.29Å; E333-F486 WeakPolarHBondContact OE2-CD2 3.45Å; E333-F486 PolarHBondContact OE2-N 3.33Å |
| 334 | L | 93 | Very high | 94.6 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 11.5 | 175 | -62.5 | 173.8 | 0 | 0 | 0 | 113.9 | F330 G331 T332 L336 L393 Y397 L419 | F330-L334 HydrophobicContact CD1-CD1 3.9Å; F330-L334 HydrophobicContact CD1-CG 4.37Å; F330-L334 HydrophobicContact CE1-CD1 3.57Å; F330-L334 HydrophobicContact CE1-CD2 4.31Å; F330-L334 HydrophobicContact CE1-CG 4.06Å; F330-L334 HydrophobicContact CE2-CD2 4.37Å; F330-L334 HydrophobicContact CE2-CG 4.43Å; F330-L334 HydrophobicContact CZ-CD1 4.09Å; F330-L334 HydrophobicContact CZ-CD2 3.96Å; F330-L334 HydrophobicContact CZ-CG 4.11Å; F330-L334 VanDerWaalsContact O-CG 3.29Å; F330-L334 WeakPolarHBondContact O-CG 3.46Å; F330-L334 PolarHBondContact O-N 3.24Å; G331-L334 PolarHBondContact O-N 3.4Å; T332-L334 PolarHBondContact O-N 2.98Å; L334-L336 HydrophobicContact CB-CG 4.16Å; L334-L336 PolarHBondContact O-N 3.17Å; L334-L336 VanDerWaalsContact O-N 3.16Å; L334-L393 HydrophobicContact CD1-CB 3.91Å; L334-L393 HydrophobicContact CD1-CD2 4.14Å; L334-Y397 HydrophobicContact CD2-CD1 4.44Å; L334-Y397 HydrophobicContact CD2-CG 4.02Å; L334-Y397 WeakPolarHBondContact O-CD2 3.33Å; L334-Y397 VanDerWaalsContact O-CE2 3.29Å; L334-Y397 WeakPolarHBondContact O-CE2 3.18Å; L334-L419 HydrophobicContact CD1-CD1 4.42Å |
| 335 | A | 91.2 | Very high | 94.6 | Very high | 66 Ų | 66 | 30.5 Ų | 30.5 | 55% | 0.545 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 31.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T332 E333 Y397 | T332-A335 WeakPolarHBondContact O-CA 3.46Å; T332-A335 PolarHBondContact O-N 2.85Å; E333-A335 PolarHBondContact O-N 3Å; A335-Y397 HydrophobicContact CB-CE2 4.03Å |
| 336 | L | 93.2 | Very high | 94.6 | Very high | 14 Ų | 14 | 31.5 Ų | 31.5 | 7% | 0.073 | 18% | 0.181 | C | C | . | . | trans | -76.3 | 145.6 | 173.3 | -59.5 | 179.5 | 0 | 0 | 0 | 110.1 | G331 L334 I340 I341 L419 I420 Y423 | G331-L336 VanDerWaalsContact O-CB 3.31Å; G331-L336 WeakPolarHBondContact O-CB 3.4Å; G331-L336 PolarHBondContact O-N 3.46Å; G331-L336 VanDerWaalsContact O-N 3.1Å; L334-L336 HydrophobicContact CB-CG 4.16Å; L334-L336 PolarHBondContact O-N 3.17Å; L334-L336 VanDerWaalsContact O-N 3.16Å; L336-I340 HydrophobicContact CB-CG2 4.39Å; L336-I340 HydrophobicContact CD1-CG2 4.23Å; L336-I341 HydrophobicContact CB-CD1 4.34Å; L336-I341 HydrophobicContact CB-CG1 4.07Å; L336-L419 HydrophobicContact CD2-CD2 4.38Å; L336-I420 HydrophobicContact CD2-CG1 3.95Å; L336-Y423 HydrophobicContact CD1-CD1 3.84Å; L336-Y423 HydrophobicContact CD1-CD2 3.95Å; L336-Y423 HydrophobicContact CD1-CE1 4.14Å; L336-Y423 HydrophobicContact CD1-CE2 4.26Å; L336-Y423 HydrophobicContact CD1-CG 3.73Å | ||
| 337 | S | 93.5 | Very high | 94.6 | Very high | 59 Ų | 59 | 34 Ų | 34 | 41% | 0.413 | 20% | 0.197 | S | C | . | . | trans | -68.6 | 148.5 | 175.4 | 70.4 | 0 | 0 | 0 | 0 | 110.7 | T339 I340 I341 | S337-T339 PolarHBondContact O-N 3.01Å; S337-T339 VanDerWaalsContact O-N 3.08Å; S337-I340 WeakPolarHBondContact O-CB 3.31Å; S337-I340 PolarHBondContact O-N 3.43Å; S337-I340 WeakPolarHBondContact OG-CD1 3.44Å; S337-I340 WeakPolarHBondContact OG-CG1 3.24Å; S337-I340 PolarHBondContact OG-N 3.12Å; S337-I341 PolarHBondContact O-N 3.18Å; S337-I341 VanDerWaalsContact O-N 3.14Å | ||
| 338 | S | 92.2 | Very high | 94.7 | Very high | 60 Ų | 60 | 33.9 Ų | 33.9 | 42% | 0.42 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.1 | -29.9 | 177.9 | -38.6 | 0 | 0 | 0 | 0 | 112.1 | I340 I341 N342 | S338-I340 PolarHBondContact O-N 2.86Å; S338-I341 PolarHBondContact O-N 2.99Å; S338-N342 VanDerWaalsContact O-CB 3.27Å; S338-N342 WeakPolarHBondContact O-CB 3.36Å; S338-N342 PolarHBondContact O-N 3.05Å; S338-N342 PolarHBondContact O-ND2 3.38Å |
| 339 | T | 94.2 | Very high | 94.7 | Very high | 78 Ų | 78 | 33.7 Ų | 33.7 | 48% | 0.479 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.3 | -40.4 | 173.3 | -49.9 | 0 | 0 | 0 | 0 | 112.6 | S337 R343 | S337-T339 PolarHBondContact O-N 3.01Å; S337-T339 VanDerWaalsContact O-N 3.08Å; T339-R343 WeakPolarHBondContact O-CB 3.24Å; T339-R343 WeakPolarHBondContact O-CD 3.39Å; T339-R343 WeakPolarHBondContact O-CG 3.36Å; T339-R343 PolarHBondContact O-N 3.2Å; T339-R343 VanDerWaalsContact O-N 3.12Å |
| 340 | I | 96 | Very high | 94.8 | Very high | 28 Ų | 28 | 37 Ų | 37 | 14% | 0.144 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.4 | -48.3 | 177.2 | -69 | 165.1 | 0 | 0 | 0 | 109.7 | L336 S337 S338 N342 R343 A344 I420 F424 | L336-I340 HydrophobicContact CB-CG2 4.39Å; L336-I340 HydrophobicContact CD1-CG2 4.23Å; S337-I340 WeakPolarHBondContact O-CB 3.31Å; S337-I340 PolarHBondContact O-N 3.43Å; S337-I340 WeakPolarHBondContact OG-CD1 3.44Å; S337-I340 WeakPolarHBondContact OG-CG1 3.24Å; S337-I340 PolarHBondContact OG-N 3.12Å; S338-I340 PolarHBondContact O-N 2.86Å; I340-N342 PolarHBondContact O-N 3.04Å; I340-R343 PolarHBondContact O-N 3.18Å; I340-A344 WeakPolarHBondContact O-CB 3.22Å; I340-A344 PolarHBondContact O-N 3.41Å; I340-I420 HydrophobicContact CD1-CD1 3.7Å; I340-I420 HydrophobicContact CD1-CG1 4.13Å; I340-I420 HydrophobicContact CG2-CG2 4.15Å; I340-F424 HydrophobicContact CG2-CE2 3.97Å; I340-F424 HydrophobicContact CG2-CZ 4.48Å |
| 341 | I | 96.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.2 | -49.7 | -179.8 | -62.1 | 169.2 | 0 | 0 | 0 | 110.4 | L34 P328 L336 S337 S338 R343 A344 I345 | L34-I341 HydrophobicContact CD2-CG2 4.45Å; P328-I341 HydrophobicContact CB-CG2 4.02Å; L336-I341 HydrophobicContact CB-CD1 4.34Å; L336-I341 HydrophobicContact CB-CG1 4.07Å; S337-I341 PolarHBondContact O-N 3.18Å; S337-I341 VanDerWaalsContact O-N 3.14Å; S338-I341 PolarHBondContact O-N 2.99Å; I341-R343 VanDerWaalsContact C-N 3.35Å; I341-R343 PolarHBondContact O-N 3.04Å; I341-A344 PolarHBondContact O-N 3.17Å; I341-A344 VanDerWaalsContact O-N 3.16Å; I341-I345 HydrophobicContact CG2-CD1 3.97Å; I341-I345 WeakPolarHBondContact O-CG1 3.24Å; I341-I345 PolarHBondContact O-N 3.36Å |
| 342 | N | 95.6 | Very high | 94.7 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 4% | 0.043 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.8 | -40.9 | 179.3 | -69.5 | -25.4 | 0 | 0 | 0 | 112.9 | P154 T158 S338 I340 A344 A346 | P154-N342 HydrophobicContact CB-CB 4.13Å; P154-N342 WeakPolarHBondContact CB-OD1 3.42Å; P154-N342 PolarHBondContact O-OD1 2.91Å; T158-N342 WeakPolarHBondContact CB-ND2 3.31Å; T158-N342 WeakPolarHBondContact CG2-ND2 3.48Å; T158-N342 PolarHBondContact OG1-ND2 3.33Å; T158-N342 PolarHBondContact OG1-OD1 2.9Å; T158-N342 VanDerWaalsContact OG1-OD1 3.07Å; S338-N342 VanDerWaalsContact O-CB 3.27Å; S338-N342 WeakPolarHBondContact O-CB 3.36Å; S338-N342 PolarHBondContact O-N 3.05Å; S338-N342 PolarHBondContact O-ND2 3.38Å; I340-N342 PolarHBondContact O-N 3.04Å; N342-A344 VanDerWaalsContact C-N 3.34Å; N342-A346 WeakPolarHBondContact O-CB 3.31Å; N342-A346 PolarHBondContact O-N 3.03Å |
| 343 | R | 96.8 | Very high | 94.6 | Very high | 162 Ų | 162 | 37.1 Ų | 37.1 | 61% | 0.611 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -66.4 | -37.5 | 176.4 | -75.2 | 173.8 | -179.7 | -178 | 2.1 | 111.5 | T339 I340 I341 A346 V347 F424 | T339-R343 WeakPolarHBondContact O-CB 3.24Å; T339-R343 WeakPolarHBondContact O-CD 3.39Å; T339-R343 WeakPolarHBondContact O-CG 3.36Å; T339-R343 PolarHBondContact O-N 3.2Å; T339-R343 VanDerWaalsContact O-N 3.12Å; I340-R343 PolarHBondContact O-N 3.18Å; I341-R343 VanDerWaalsContact C-N 3.35Å; I341-R343 PolarHBondContact O-N 3.04Å; R343-A346 PolarHBondContact O-N 3.08Å; R343-V347 WeakPolarHBondContact O-CG2 3.31Å; R343-V347 PolarHBondContact O-N 3.03Å; R343-F424 HydrophobicContact CB-CE1 3.9Å; R343-F424 HydrophobicContact CB-CZ 3.77Å |
| 344 | A | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67 | -42.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | I340 I341 N342 A346 V347 A348 Y423 F424 | I340-A344 WeakPolarHBondContact O-CB 3.22Å; I340-A344 PolarHBondContact O-N 3.41Å; I341-A344 PolarHBondContact O-N 3.17Å; I341-A344 VanDerWaalsContact O-N 3.16Å; N342-A344 VanDerWaalsContact C-N 3.34Å; A344-A346 VanDerWaalsContact C-N 3.28Å; A344-A346 PolarHBondContact O-N 3.27Å; A344-V347 PolarHBondContact O-N 3.46Å; A344-A348 PolarHBondContact O-N 3.03Å; A344-Y423 HydrophobicContact CB-CD1 3.72Å; A344-Y423 HydrophobicContact CB-CE1 3.45Å; A344-Y423 VanDerWaalsContact CB-CE1 3.45Å; A344-F424 HydrophobicContact CB-CD1 3.99Å; A344-F424 HydrophobicContact CB-CE1 3.96Å; A344-F424 HydrophobicContact CB-CG 4.46Å; A344-F424 HydrophobicContact CB-CZ 4.39Å |
| 345 | I | 94.8 | Very high | 94.4 | Very high | 12 Ų | 12 | 39.6 Ų | 39.6 | 6% | 0.062 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.9 | -38 | 173.6 | -58.7 | 162.7 | 0 | 0 | 0 | 110.6 | L34 Q150 P154 P328 I341 A348 G349 | L34-I345 HydrophobicContact CD1-CD1 4.13Å; Q150-I345 HydrophobicContact CG-CG2 3.95Å; P154-I345 HydrophobicContact CB-CB 4.29Å; P154-I345 HydrophobicContact CB-CD1 4.1Å; P154-I345 HydrophobicContact CB-CG2 4.35Å; P154-I345 HydrophobicContact CG-CB 3.86Å; P154-I345 HydrophobicContact CG-CD1 4.26Å; P154-I345 HydrophobicContact CG-CG2 3.44Å; P154-I345 VanDerWaalsContact CG-CG2 3.44Å; P328-I345 HydrophobicContact CB-CD1 3.98Å; P328-I345 HydrophobicContact CG-CD1 3.66Å; P328-I345 HydrophobicContact CG-CG1 4.11Å; I341-I345 HydrophobicContact CG2-CD1 3.97Å; I341-I345 WeakPolarHBondContact O-CG1 3.24Å; I341-I345 PolarHBondContact O-N 3.36Å; I345-A348 WeakPolarHBondContact O-CB 3.32Å; I345-A348 PolarHBondContact O-N 3.15Å; I345-G349 PolarHBondContact O-N 2.8Å |
| 346 | A | 96.1 | Very high | 94.1 | Very high | 21 Ų | 21 | 37.4 Ų | 37.4 | 17% | 0.174 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.8 | -39.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N342 R343 A344 A348 G349 I350 | N342-A346 WeakPolarHBondContact O-CB 3.31Å; N342-A346 PolarHBondContact O-N 3.03Å; R343-A346 PolarHBondContact O-N 3.08Å; A344-A346 VanDerWaalsContact C-N 3.28Å; A344-A346 PolarHBondContact O-N 3.27Å; A346-A348 VanDerWaalsContact C-N 3.32Å; A346-G349 WeakPolarHBondContact O-CA 3.36Å; A346-G349 PolarHBondContact O-N 2.72Å; A346-G349 VanDerWaalsContact O-N 3.12Å; A346-I350 WeakPolarHBondContact O-CG1 3.32Å; A346-I350 PolarHBondContact O-N 3.23Å |
| 347 | V | 96.2 | Very high | 93.6 | Very high | 54 Ų | 54 | 41.5 Ų | 41.5 | 33% | 0.327 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.2 | -40.8 | 172.1 | 168.8 | 0 | 0 | 0 | 0 | 111 | R343 A344 G349 I350 G351 F424 A428 | R343-V347 WeakPolarHBondContact O-CG2 3.31Å; R343-V347 PolarHBondContact O-N 3.03Å; A344-V347 PolarHBondContact O-N 3.46Å; V347-G349 VanDerWaalsContact C-N 3.3Å; V347-G349 PolarHBondContact O-N 2.93Å; V347-I350 WeakPolarHBondContact O-CB 3.15Å; V347-I350 PolarHBondContact O-N 2.9Å; V347-G351 PolarHBondContact O-N 3.15Å; V347-F424 HydrophobicContact CB-CD1 4.36Å; V347-F424 HydrophobicContact CG2-CD1 4Å; V347-F424 HydrophobicContact CG2-CE1 4.04Å; V347-A428 HydrophobicContact CG1-CB 3.85Å |
| 348 | A | 96.2 | Very high | 93.1 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59 | -41.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A344 I345 A346 I350 G351 D352 S427 G431 | A344-A348 PolarHBondContact O-N 3.03Å; I345-A348 WeakPolarHBondContact O-CB 3.32Å; I345-A348 PolarHBondContact O-N 3.15Å; A346-A348 VanDerWaalsContact C-N 3.32Å; A348-I350 VanDerWaalsContact C-N 3.32Å; A348-I350 PolarHBondContact O-N 3.26Å; A348-G351 PolarHBondContact O-N 2.83Å; A348-D352 WeakPolarHBondContact O-CB 3.42Å; A348-D352 PolarHBondContact O-N 3.43Å; A348-S427 WeakPolarHBondContact CB-O 3.27Å; A348-G431 VanDerWaalsContact O-CA 3.25Å; A348-G431 WeakPolarHBondContact O-CA 3.48Å |
| 349 | G | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -34.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | S147 I345 A346 V347 L353 | S147-G349 WeakPolarHBondContact CB-O 3.46Å; I345-G349 PolarHBondContact O-N 2.8Å; A346-G349 WeakPolarHBondContact O-CA 3.36Å; A346-G349 PolarHBondContact O-N 2.72Å; A346-G349 VanDerWaalsContact O-N 3.12Å; V347-G349 VanDerWaalsContact C-N 3.3Å; V347-G349 PolarHBondContact O-N 2.93Å; G349-L353 WeakPolarHBondContact O-CB 3.29Å; G349-L353 PolarHBondContact O-N 3.48Å |
| 350 | I | 95.8 | Very high | 91.5 | Very high | 77 Ų | 77 | 35.9 Ų | 35.9 | 40% | 0.395 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.2 | -45.6 | 172.5 | -65.2 | 168.1 | 0 | 0 | 0 | 110.3 | M151 A346 V347 A348 L353 I354 | M151-I350 HydrophobicContact CE-CD1 4.22Å; M151-I350 HydrophobicContact CE-CG1 3.61Å; M151-I350 HydrophobicContact CG-CG1 4.48Å; M151-I350 HydrophobicContact SD-CG1 3.99Å; A346-I350 WeakPolarHBondContact O-CG1 3.32Å; A346-I350 PolarHBondContact O-N 3.23Å; V347-I350 WeakPolarHBondContact O-CB 3.15Å; V347-I350 PolarHBondContact O-N 2.9Å; A348-I350 VanDerWaalsContact C-N 3.32Å; A348-I350 PolarHBondContact O-N 3.26Å; I350-L353 PolarHBondContact O-N 2.84Å; I350-I354 HydrophobicContact CG2-CD1 3.71Å; I350-I354 HydrophobicContact CG2-CG1 4.38Å; I350-I354 VanDerWaalsContact O-CG1 3.3Å; I350-I354 WeakPolarHBondContact O-CG1 3.24Å; I350-I354 PolarHBondContact O-N 3.24Å |
| 351 | G | 94 | Very high | 90.6 | Very high | 9 Ų | 9 | 42.1 Ų | 42.1 | 9% | 0.093 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.9 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | V347 A348 I354 T355 | V347-G351 PolarHBondContact O-N 3.15Å; A348-G351 PolarHBondContact O-N 2.83Å; G351-I354 PolarHBondContact O-N 3.31Å; G351-T355 WeakPolarHBondContact O-CB 3.43Å; G351-T355 WeakPolarHBondContact O-CG2 3.26Å; G351-T355 PolarHBondContact O-N 3.3Å; G351-T355 PolarHBondContact O-OG1 3.3Å |
| 352 | D | 94.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.6 | -45.2 | 174.2 | -178.6 | 49.8 | 0 | 0 | 0 | 110.9 | S147 A348 T355 R356 G431 G435 | S147-D352 VanDerWaalsContact CB-OD2 3.29Å; S147-D352 WeakPolarHBondContact CB-OD2 3.39Å; A348-D352 WeakPolarHBondContact O-CB 3.42Å; A348-D352 PolarHBondContact O-N 3.43Å; D352-T355 PolarHBondContact O-OG1 3.4Å; D352-T355 VanDerWaalsContact O-OG1 3.06Å; D352-R356 WeakPolarHBondContact O-CB 3.34Å; D352-R356 WeakPolarHBondContact O-CD 3.35Å; D352-R356 WeakPolarHBondContact O-CG 3.36Å; D352-R356 PolarHBondContact O-N 3.33Å; D352-R356 IonicContact OD1-CZ 3.23Å; D352-R356 IonicContact OD1-NE 2.82Å; D352-R356 PolarHBondContact OD1-NE 3.2Å; D352-R356 IonicContact OD1-NH2 3.79Å; D352-R356 PolarHBondContact OD1-NH2 3.07Å; D352-R356 IonicContact OD2-CZ 2.8Å; D352-R356 IonicContact OD2-NE 3.68Å; D352-R356 PolarHBondContact OD2-NE 3.12Å; D352-R356 IonicContact OD2-NH2 2.71Å; D352-R356 PolarHBondContact OD2-NH2 2.8Å; D352-R356 VanDerWaalsContact OD2-NH2 3.15Å; D352-G431 VanDerWaalsContact CA-O 3.24Å; D352-G431 WeakPolarHBondContact CA-O 2.84Å; D352-G431 PolarHBondContact N-O 3.34Å; D352-G435 WeakPolarHBondContact OD1-CA 3.3Å; D352-G435 PolarHBondContact OD1-N 3.02Å |
| 353 | L | 92.1 | Very high | 88.8 | Confident | 52 Ų | 52 | 46.1 Ų | 46.1 | 27% | 0.272 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.4 | -48.5 | 178.2 | -173.4 | 60 | 0 | 0 | 0 | 112.7 | A144 S147 G349 I350 T355 R356 V357 | A144-L353 HydrophobicContact CB-CD1 3.84Å; S147-L353 WeakPolarHBondContact OG-CD1 3.37Å; G349-L353 WeakPolarHBondContact O-CB 3.29Å; G349-L353 PolarHBondContact O-N 3.48Å; I350-L353 PolarHBondContact O-N 2.84Å; L353-T355 VanDerWaalsContact C-N 3.32Å; L353-T355 PolarHBondContact O-N 3.43Å; L353-R356 PolarHBondContact O-N 2.97Å; L353-V357 PolarHBondContact O-N 2.85Å; L353-V357 VanDerWaalsContact O-N 3.16Å |
| 354 | I | 91.3 | Very high | 87.7 | Confident | 113 Ų | 113 | 44 Ų | 44 | 58% | 0.579 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -61.1 | -44.8 | -178.1 | -70.2 | 169.4 | 0 | 0 | 0 | 110 | I350 G351 V357 G358 | I350-I354 HydrophobicContact CG2-CD1 3.71Å; I350-I354 HydrophobicContact CG2-CG1 4.38Å; I350-I354 VanDerWaalsContact O-CG1 3.3Å; I350-I354 WeakPolarHBondContact O-CG1 3.24Å; I350-I354 PolarHBondContact O-N 3.24Å; G351-I354 PolarHBondContact O-N 3.31Å; I354-V357 PolarHBondContact O-N 3.21Å; I354-G358 WeakPolarHBondContact O-CA 3.35Å; I354-G358 PolarHBondContact O-N 3.39Å |
| 355 | T | 90.1 | Very high | 86.8 | Confident | 13 Ų | 13 | 50 Ų | 50 | 8% | 0.08 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.3 | -36.9 | 179.1 | 50.7 | 0 | 0 | 0 | 0 | 112.3 | G351 D352 L353 V357 V359 I432 G435 | G351-T355 WeakPolarHBondContact O-CB 3.43Å; G351-T355 WeakPolarHBondContact O-CG2 3.26Å; G351-T355 PolarHBondContact O-N 3.3Å; G351-T355 PolarHBondContact O-OG1 3.3Å; D352-T355 PolarHBondContact O-OG1 3.4Å; D352-T355 VanDerWaalsContact O-OG1 3.06Å; L353-T355 VanDerWaalsContact C-N 3.32Å; L353-T355 PolarHBondContact O-N 3.43Å; T355-V357 VanDerWaalsContact C-N 3.31Å; T355-V357 PolarHBondContact O-N 3.25Å; T355-V359 HydrophobicContact CG2-CG2 4.27Å; T355-V359 WeakPolarHBondContact O-CA 3.24Å; T355-V359 VanDerWaalsContact O-CB 3.23Å; T355-V359 WeakPolarHBondContact O-CB 3.25Å; T355-V359 PolarHBondContact O-N 2.7Å; T355-I432 HydrophobicContact CG2-CB 3.96Å; T355-I432 HydrophobicContact CG2-CG1 4.06Å; T355-I432 HydrophobicContact CG2-CG2 3.6Å; T355-G435 WeakPolarHBondContact OG1-CA 3.49Å |
| 356 | R | 86.3 | Confident | 85.9 | Confident | 21 Ų | 21 | 54.8 Ų | 54.8 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.8 | -43.9 | 175.5 | -79.1 | 171.5 | -169.6 | -120.4 | -1.8 | 112.9 | V143 D352 L353 T439 | V143-R356 PolarHBondContact O-NH1 3.25Å; D352-R356 WeakPolarHBondContact O-CB 3.34Å; D352-R356 WeakPolarHBondContact O-CD 3.35Å; D352-R356 WeakPolarHBondContact O-CG 3.36Å; D352-R356 PolarHBondContact O-N 3.33Å; D352-R356 IonicContact OD1-CZ 3.23Å; D352-R356 IonicContact OD1-NE 2.82Å; D352-R356 PolarHBondContact OD1-NE 3.2Å; D352-R356 IonicContact OD1-NH2 3.79Å; D352-R356 PolarHBondContact OD1-NH2 3.07Å; D352-R356 IonicContact OD2-CZ 2.8Å; D352-R356 IonicContact OD2-NE 3.68Å; D352-R356 PolarHBondContact OD2-NE 3.12Å; D352-R356 IonicContact OD2-NH2 2.71Å; D352-R356 PolarHBondContact OD2-NH2 2.8Å; D352-R356 VanDerWaalsContact OD2-NH2 3.15Å; L353-R356 PolarHBondContact O-N 2.97Å; R356-T439 HydrophobicContact CB-CG2 4.11Å; R356-T439 HydrophobicContact CG-CG2 3.94Å |
| 357 | V | 81.7 | Confident | 85.1 | Confident | 99 Ų | 99 | 57.4 Ų | 57.4 | 60% | 0.6 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -78.6 | -48.9 | 179.2 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | L353 I354 T355 W361 | L353-V357 PolarHBondContact O-N 2.85Å; L353-V357 VanDerWaalsContact O-N 3.16Å; I354-V357 PolarHBondContact O-N 3.21Å; T355-V357 VanDerWaalsContact C-N 3.31Å; T355-V357 PolarHBondContact O-N 3.25Å; V357-W361 PolarHBondContact O-N 2.94Å |
| 358 | G | 82.6 | Confident | 84.3 | Confident | 36 Ų | 36 | 56.2 Ų | 56.2 | 37% | 0.371 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -73.3 | -49.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I354 G360 W361 L362 | I354-G358 WeakPolarHBondContact O-CA 3.35Å; I354-G358 PolarHBondContact O-N 3.39Å; G358-G360 VanDerWaalsContact C-N 3.33Å; G358-W361 PolarHBondContact O-N 3.41Å; G358-L362 WeakPolarHBondContact O-CB 3.45Å; G358-L362 PolarHBondContact O-N 3.46Å |
| 359 | V | 81.8 | Confident | 83.2 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 15% | 0.145 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70.9 | -33.8 | -179.9 | -175.2 | 0 | 0 | 0 | 0 | 110.8 | T355 L362 T363 L375 T436 | T355-V359 HydrophobicContact CG2-CG2 4.27Å; T355-V359 WeakPolarHBondContact O-CA 3.24Å; T355-V359 VanDerWaalsContact O-CB 3.23Å; T355-V359 WeakPolarHBondContact O-CB 3.25Å; T355-V359 PolarHBondContact O-N 2.7Å; V359-L362 PolarHBondContact O-N 3.22Å; V359-T363 HydrophobicContact CG1-CG2 3.81Å; V359-T363 WeakPolarHBondContact O-CB 3.48Å; V359-T363 WeakPolarHBondContact O-CG2 3.15Å; V359-T363 PolarHBondContact O-N 3.14Å; V359-T363 PolarHBondContact O-OG1 3.12Å; V359-L375 HydrophobicContact CG1-CD2 3.91Å; V359-T436 HydrophobicContact CG1-CG2 4Å; V359-T436 HydrophobicContact CG2-CG2 4.41Å |
| 360 | G | 71.3 | Confident | 82.2 | Confident | 20 Ų | 20 | 62.3 Ų | 62.3 | 21% | 0.206 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -53.8 | -56.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G358 L362 T363 D364 | G358-G360 VanDerWaalsContact C-N 3.33Å; G360-L362 PolarHBondContact O-N 2.86Å; G360-T363 PolarHBondContact O-N 3.27Å; G360-T363 PolarHBondContact O-OG1 3.47Å; G360-D364 PolarHBondContact O-N 3.38Å |
| 361 | W | 76.4 | Confident | 81.7 | Confident | 159 Ų | 159 | 67 Ų | 67 | 60% | 0.602 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.5 | -40.2 | 177 | 177.4 | 85.9 | 0 | 0 | 0 | 113.8 | V357 G358 | V357-W361 PolarHBondContact O-N 2.94Å; G358-W361 PolarHBondContact O-N 3.41Å |
| 362 | L | 78.8 | Confident | 81.3 | Confident | 90 Ų | 90 | 67.8 Ų | 67.8 | 47% | 0.471 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67 | -40.4 | -179 | 179.9 | 61.9 | 0 | 0 | 0 | 111.9 | G358 V359 G360 D364 R365 C368 | G358-L362 WeakPolarHBondContact O-CB 3.45Å; G358-L362 PolarHBondContact O-N 3.46Å; V359-L362 PolarHBondContact O-N 3.22Å; G360-L362 PolarHBondContact O-N 2.86Å; L362-D364 VanDerWaalsContact C-N 3.29Å; L362-D364 PolarHBondContact O-N 2.83Å; L362-R365 WeakPolarHBondContact O-CB 3.48Å; L362-R365 WeakPolarHBondContact O-CG 3.47Å; L362-R365 PolarHBondContact O-N 3.29Å; L362-C368 PolarHBondContact O-SG 3.17Å |
| 363 | T | 74.8 | Confident | 81 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 3% | 0.025 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -78.1 | -14.3 | -175.4 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | V359 G360 R365 R372 L375 Q440 | V359-T363 HydrophobicContact CG1-CG2 3.81Å; V359-T363 WeakPolarHBondContact O-CB 3.48Å; V359-T363 WeakPolarHBondContact O-CG2 3.15Å; V359-T363 PolarHBondContact O-N 3.14Å; V359-T363 PolarHBondContact O-OG1 3.12Å; G360-T363 PolarHBondContact O-N 3.27Å; G360-T363 PolarHBondContact O-OG1 3.47Å; T363-R365 VanDerWaalsContact C-N 3.25Å; T363-R365 PolarHBondContact O-N 3.4Å; T363-R372 PolarHBondContact O-NE 2.85Å; T363-R372 PolarHBondContact O-NH2 3.49Å; T363-L375 HydrophobicContact CG2-CD2 3.64Å; T363-Q440 PolarHBondContact OG1-NE2 3.42Å |
| 364 | D | 73.8 | Confident | 81 | Confident | 118 Ų | 118 | 67.8 Ų | 67.8 | 63% | 0.631 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -13.6 | 168.7 | -73.5 | -19.7 | 0 | 0 | 0 | 113.3 | G360 L362 | G360-D364 PolarHBondContact O-N 3.38Å; L362-D364 VanDerWaalsContact C-N 3.29Å; L362-D364 PolarHBondContact O-N 2.83Å |
| 365 | R | 79.4 | Confident | 81 | Confident | 126 Ų | 126 | 65.1 Ų | 65.1 | 48% | 0.475 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -67.4 | 142.1 | 175.7 | -65.4 | -65.2 | -169.1 | 162.7 | 3.7 | 111.1 | L362 T363 A367 C368 | L362-R365 WeakPolarHBondContact O-CB 3.48Å; L362-R365 WeakPolarHBondContact O-CG 3.47Å; L362-R365 PolarHBondContact O-N 3.29Å; T363-R365 VanDerWaalsContact C-N 3.25Å; T363-R365 PolarHBondContact O-N 3.4Å; R365-A367 PolarHBondContact O-N 3.03Å; R365-A367 VanDerWaalsContact O-N 3.11Å; R365-C368 WeakPolarHBondContact O-CB 3.37Å; R365-C368 PolarHBondContact O-N 2.99Å |
| 366 | P | 75.1 | Confident | 81.1 | Confident | 112 Ų | 112 | 64.5 Ų | 64.5 | 73% | 0.727 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -58.6 | -30 | -177.6 | 20.6 | -31.7 | 0 | 0 | 0 | 113.4 | C368 V369 | P366-C368 PolarHBondContact O-N 3.16Å; P366-V369 PolarHBondContact O-N 3.19Å |
| 367 | A | 79.9 | Confident | 81.6 | Confident | 76 Ų | 76 | 63.5 Ų | 63.5 | 63% | 0.628 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -65 | -19.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R365 | R365-A367 PolarHBondContact O-N 3.03Å; R365-A367 VanDerWaalsContact O-N 3.11Å |
| 368 | C | 78.6 | Confident | 82.3 | Confident | 29 Ų | 29 | 62.6 Ų | 62.6 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -94.2 | -14.2 | -177.7 | -62.2 | 0 | 0 | 0 | 0 | 112.8 | L362 R365 P366 G370 R371 R372 | L362-C368 PolarHBondContact O-SG 3.17Å; R365-C368 WeakPolarHBondContact O-CB 3.37Å; R365-C368 PolarHBondContact O-N 2.99Å; P366-C368 PolarHBondContact O-N 3.16Å; C368-G370 PolarHBondContact O-N 2.95Å; C368-R371 PolarHBondContact O-N 3.4Å; C368-R372 WeakPolarHBondContact O-CG 3.37Å |
| 369 | V | 73.5 | Confident | 82.9 | Confident | 86 Ų | 86 | 61.5 Ų | 61.5 | 52% | 0.521 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 127.1 | -178 | 179.8 | 0 | 0 | 0 | 0 | 109.6 | P366 R371 | P366-V369 PolarHBondContact O-N 3.19Å; V369-R371 VanDerWaalsContact C-N 3.29Å; V369-R371 PolarHBondContact O-N 3.27Å |
| 370 | G | 74.5 | Confident | 83.6 | Confident | 45 Ų | 45 | 60.4 Ų | 60.4 | 46% | 0.464 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | -3.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | C368 | C368-G370 PolarHBondContact O-N 2.95Š|
| 371 | R | 84.9 | Confident | 84.9 | Confident | 175 Ų | 175 | 61.1 Ų | 61.1 | 66% | 0.66 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 2.3 | 173.7 | -62.6 | -178.6 | -179.1 | -179.4 | 1.4 | 113.4 | C368 V369 G373 L374 L375 | C368-R371 PolarHBondContact O-N 3.4Å; V369-R371 VanDerWaalsContact C-N 3.29Å; V369-R371 PolarHBondContact O-N 3.27Å; R371-G373 VanDerWaalsContact C-N 3.34Å; R371-G373 PolarHBondContact O-N 2.68Å; R371-L374 WeakPolarHBondContact O-CB 3.41Å; R371-L374 PolarHBondContact O-N 3.47Å; R371-L375 PolarHBondContact O-N 3.19Å; R371-L375 VanDerWaalsContact O-N 3.16Å |
| 372 | R | 85.6 | Confident | 86 | Confident | 26 Ų | 26 | 56.5 Ų | 56.5 | 10% | 0.098 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.5 | -34.2 | -176.4 | -54 | -173.6 | -176.1 | 146.9 | -17.2 | 112.5 | T363 C368 L375 L376 V443 V444 D447 | T363-R372 PolarHBondContact O-NE 2.85Å; T363-R372 PolarHBondContact O-NH2 3.49Å; C368-R372 WeakPolarHBondContact O-CG 3.37Å; R372-L375 WeakPolarHBondContact O-CB 3.4Å; R372-L375 PolarHBondContact O-N 3.47Å; R372-L376 PolarHBondContact O-N 2.76Å; R372-V443 VanDerWaalsContact CZ-CG1 3.45Å; R372-V444 VanDerWaalsContact C-CG2 3.5Å; R372-V444 HydrophobicContact CB-CG2 3.81Å; R372-V444 WeakPolarHBondContact O-CG2 3.41Å; R372-D447 WeakPolarHBondContact CD-OD2 3.26Å; R372-D447 IonicContact CZ-OD1 2.58Å; R372-D447 IonicContact CZ-OD2 3.96Å; R372-D447 IonicContact NE-OD2 3.15Å; R372-D447 VanDerWaalsContact NH1-CG 3.35Å; R372-D447 IonicContact NH1-OD1 2.8Å; R372-D447 PolarHBondContact NH1-OD1 3Å; R372-D447 IonicContact NH1-OD2 2.8Å; R372-D447 PolarHBondContact NH1-OD2 3.49Å; R372-D447 VanDerWaalsContact NH1-OD2 3.15Å |
| 373 | G | 88.8 | Confident | 86.9 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R371 L375 L376 A377 | R371-G373 VanDerWaalsContact C-N 3.34Å; R371-G373 PolarHBondContact O-N 2.68Å; G373-L375 PolarHBondContact O-N 3.18Å; G373-L376 PolarHBondContact O-N 2.98Å; G373-A377 PolarHBondContact O-N 3.04Å |
| 374 | L | 91.4 | Very high | 88 | Confident | 51 Ų | 51 | 52 Ų | 52 | 27% | 0.267 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 173.1 | 173.9 | 65.6 | 0 | 0 | 0 | 112 | R371 L376 A377 I378 F505 F508 | R371-L374 WeakPolarHBondContact O-CB 3.41Å; R371-L374 PolarHBondContact O-N 3.47Å; L374-L376 PolarHBondContact O-N 3.38Å; L374-A377 WeakPolarHBondContact O-CB 3.29Å; L374-A377 PolarHBondContact O-N 3.15Å; L374-I378 HydrophobicContact CD1-CD1 4.08Å; L374-I378 HydrophobicContact CD1-CG1 4.34Å; L374-I378 HydrophobicContact CG-CD1 4.03Å; L374-I378 WeakPolarHBondContact O-CG1 3.32Å; L374-I378 PolarHBondContact O-N 3.16Å; L374-F505 HydrophobicContact CD1-CD1 4.14Å; L374-F505 HydrophobicContact CD1-CE1 3.22Å; L374-F505 HydrophobicContact CD1-CZ 3.66Å; L374-F508 HydrophobicContact CB-CZ 4.15Å; L374-F508 HydrophobicContact CD1-CE2 4.03Å; L374-F508 HydrophobicContact CD1-CZ 4.15Å; L374-F508 HydrophobicContact CD2-CZ 4.35Å; L374-F508 HydrophobicContact CG-CZ 4.46Å |
| 375 | L | 91.7 | Very high | 89.2 | Confident | 56 Ų | 56 | 51.2 Ų | 51.2 | 29% | 0.293 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.7 | -47.6 | 176.3 | 177.4 | 64.9 | 0 | 0 | 0 | 111.1 | V359 T363 R371 R372 G373 A377 I378 V379 Q440 | V359-L375 HydrophobicContact CG1-CD2 3.91Å; T363-L375 HydrophobicContact CG2-CD2 3.64Å; R371-L375 PolarHBondContact O-N 3.19Å; R371-L375 VanDerWaalsContact O-N 3.16Å; R372-L375 WeakPolarHBondContact O-CB 3.4Å; R372-L375 PolarHBondContact O-N 3.47Å; G373-L375 PolarHBondContact O-N 3.18Å; L375-A377 VanDerWaalsContact C-N 3.32Å; L375-A377 PolarHBondContact O-N 3.2Å; L375-I378 PolarHBondContact O-N 3.36Å; L375-V379 VanDerWaalsContact O-CG2 3.24Å; L375-V379 WeakPolarHBondContact O-CG2 3.39Å; L375-V379 PolarHBondContact O-N 3.06Å; L375-Q440 HydrophobicContact CD2-CG 4.03Å |
| 376 | L | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.3 | -37.1 | 177.8 | -174.7 | 61.3 | 0 | 0 | 0 | 112.3 | Y309 R372 G373 L374 V379 W380 A437 Q440 V444 L504 | Y309-L376 HydrophobicContact CE2-CD2 4.47Å; R372-L376 PolarHBondContact O-N 2.76Å; G373-L376 PolarHBondContact O-N 2.98Å; L374-L376 PolarHBondContact O-N 3.38Å; L376-V379 PolarHBondContact O-N 3.34Å; L376-W380 HydrophobicContact CD1-CZ2 4.44Å; L376-W380 PolarHBondContact O-N 3.49Å; L376-W380 VanDerWaalsContact O-N 3.15Å; L376-A437 HydrophobicContact CD1-CB 4.08Å; L376-Q440 HydrophobicContact CD1-CB 4.33Å; L376-V444 HydrophobicContact CB-CG2 4.27Å; L376-V444 HydrophobicContact CD2-CB 4.44Å; L376-V444 HydrophobicContact CD2-CG1 4.47Å; L376-V444 HydrophobicContact CD2-CG2 4.23Å; L376-L504 HydrophobicContact CB-CD1 4.12Å; L376-L504 HydrophobicContact CD2-CD1 3.83Å; L376-L504 HydrophobicContact CG-CD1 3.64Å |
| 377 | A | 95.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | G373 L374 L375 V379 W380 I381 L504 F505 | G373-A377 PolarHBondContact O-N 3.04Å; L374-A377 WeakPolarHBondContact O-CB 3.29Å; L374-A377 PolarHBondContact O-N 3.15Å; L375-A377 VanDerWaalsContact C-N 3.32Å; L375-A377 PolarHBondContact O-N 3.2Å; A377-V379 VanDerWaalsContact C-N 3.35Å; A377-W380 PolarHBondContact O-N 3.33Å; A377-I381 WeakPolarHBondContact O-CG1 3.5Å; A377-I381 PolarHBondContact O-N 2.9Å; A377-I381 VanDerWaalsContact O-N 3.14Å; A377-L504 HydrophobicContact CB-CB 3.71Å; A377-L504 HydrophobicContact CB-CD1 4.47Å; A377-F505 HydrophobicContact CB-CD2 3.8Å; A377-F505 HydrophobicContact CB-CE2 3.65Å; A377-F505 HydrophobicContact CB-CG 4.33Å; A377-F505 HydrophobicContact CB-CZ 4.12Å |
| 378 | I | 96 | Very high | 92 | Very high | 80 Ų | 80 | 39.9 Ų | 39.9 | 41% | 0.41 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.3 | -42.7 | 177.4 | -67.1 | 166.2 | 0 | 0 | 0 | 110.6 | L374 L375 W380 I381 V382 F505 | L374-I378 HydrophobicContact CD1-CD1 4.08Å; L374-I378 HydrophobicContact CD1-CG1 4.34Å; L374-I378 HydrophobicContact CG-CD1 4.03Å; L374-I378 WeakPolarHBondContact O-CG1 3.32Å; L374-I378 PolarHBondContact O-N 3.16Å; L375-I378 PolarHBondContact O-N 3.36Å; I378-W380 VanDerWaalsContact C-N 3.34Å; I378-W380 PolarHBondContact O-N 3.38Å; I378-I381 PolarHBondContact O-N 2.86Å; I378-I381 VanDerWaalsContact O-N 3.15Å; I378-V382 HydrophobicContact CG2-CG2 4.18Å; I378-V382 WeakPolarHBondContact O-CG2 3.46Å; I378-V382 PolarHBondContact O-N 3.06Å; I378-F505 HydrophobicContact CG1-CZ 4.23Å |
| 379 | V | 96.1 | Very high | 92.9 | Very high | 14 Ų | 14 | 41.3 Ų | 41.3 | 9% | 0.085 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.7 | -46.8 | 178 | 168.2 | 0 | 0 | 0 | 0 | 111.3 | L375 L376 A377 I381 V382 E383 C433 T436 A437 | L375-V379 VanDerWaalsContact O-CG2 3.24Å; L375-V379 WeakPolarHBondContact O-CG2 3.39Å; L375-V379 PolarHBondContact O-N 3.06Å; L376-V379 PolarHBondContact O-N 3.34Å; A377-V379 VanDerWaalsContact C-N 3.35Å; V379-I381 VanDerWaalsContact C-N 3.35Å; V379-I381 PolarHBondContact O-N 3.3Å; V379-V382 PolarHBondContact O-N 3.44Å; V379-E383 WeakPolarHBondContact O-CB 3.47Å; V379-E383 PolarHBondContact O-N 3.32Å; V379-C433 HydrophobicContact CG1-CB 4Å; V379-C433 WeakPolarHBondContact CG1-O 3.11Å; V379-T436 HydrophobicContact CG2-CG2 3.48Å; V379-T436 VanDerWaalsContact CG2-CG2 3.48Å; V379-A437 HydrophobicContact CG1-CB 4.34Å |
| 380 | W | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.2 | -33.6 | 177.4 | -66.5 | 137.2 | 0 | 0 | 0 | 113.8 | G316 D320 L376 A377 I378 E383 G384 A437 L497 A500 | G316-W380 WeakPolarHBondContact O-CH2 3.25Å; G316-W380 WeakPolarHBondContact O-CZ3 3.19Å; D320-W380 HydrophobicContact CB-CH2 3.93Å; D320-W380 HydrophobicContact CB-CZ3 3.78Å; L376-W380 HydrophobicContact CD1-CZ2 4.44Å; L376-W380 PolarHBondContact O-N 3.49Å; L376-W380 VanDerWaalsContact O-N 3.15Å; A377-W380 PolarHBondContact O-N 3.33Å; I378-W380 VanDerWaalsContact C-N 3.34Å; I378-W380 PolarHBondContact O-N 3.38Å; W380-E383 HydrophobicContact CE3-CB 4.46Å; W380-G384 PolarHBondContact O-N 3.32Å; W380-A437 HydrophobicContact CH2-CB 3.43Å; W380-A437 VanDerWaalsContact CH2-CB 3.43Å; W380-A437 HydrophobicContact CZ2-CB 3.59Å; W380-A437 HydrophobicContact CZ3-CB 4.01Å; W380-L497 HydrophobicContact CD2-CD2 4.33Å; W380-L497 HydrophobicContact CE3-CD2 3.51Å; W380-L497 HydrophobicContact CZ3-CD2 3.94Å; W380-A500 HydrophobicContact CB-CB 4.27Å; W380-A500 HydrophobicContact CG-CB 4.25Å |
| 381 | I | 98.2 | Very high | 95.1 | Very high | 35 Ų | 35 | 35.2 Ų | 35.2 | 18% | 0.179 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.5 | -47.2 | 173.5 | -68.9 | -177.7 | 0 | 0 | 0 | 110.9 | A377 I378 V379 E383 G384 L385 L498 F502 F505 | A377-I381 WeakPolarHBondContact O-CG1 3.5Å; A377-I381 PolarHBondContact O-N 2.9Å; A377-I381 VanDerWaalsContact O-N 3.14Å; I378-I381 PolarHBondContact O-N 2.86Å; I378-I381 VanDerWaalsContact O-N 3.15Å; V379-I381 VanDerWaalsContact C-N 3.35Å; V379-I381 PolarHBondContact O-N 3.3Å; I381-E383 VanDerWaalsContact C-N 3.29Å; I381-E383 PolarHBondContact O-N 2.94Å; I381-G384 PolarHBondContact O-N 3.26Å; I381-L385 HydrophobicContact CG2-CD1 4.19Å; I381-L385 HydrophobicContact CG2-CG 4.49Å; I381-L385 WeakPolarHBondContact O-CG 3.34Å; I381-L385 PolarHBondContact O-N 3.34Å; I381-L498 HydrophobicContact CB-CD2 4.33Å; I381-L498 HydrophobicContact CG1-CD2 4.4Å; I381-L498 HydrophobicContact CG2-CD2 3.93Å; I381-F502 HydrophobicContact CD1-CE1 4.25Å; I381-F502 HydrophobicContact CD1-CZ 4.43Å; I381-F505 HydrophobicContact CD1-CD2 4.15Å; I381-F505 HydrophobicContact CD1-CE2 3.54Å |
| 382 | V | 98.1 | Very high | 95.6 | Very high | 63 Ų | 63 | 29.9 Ų | 29.9 | 38% | 0.382 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -59.7 | -43.6 | 178.1 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | I378 V379 L385 N386 I429 | I378-V382 HydrophobicContact CG2-CG2 4.18Å; I378-V382 WeakPolarHBondContact O-CG2 3.46Å; I378-V382 PolarHBondContact O-N 3.06Å; V379-V382 PolarHBondContact O-N 3.44Å; V382-L385 PolarHBondContact O-N 3.48Å; V382-N386 WeakPolarHBondContact O-CB 3.33Å; V382-N386 PolarHBondContact O-N 3.02Å; V382-I429 HydrophobicContact CG1-CG2 3.97Å |
| 383 | E | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.5 | -37.7 | 177.4 | -168 | 53.6 | -158.6 | 0 | 0 | 112.7 | V379 W380 I381 N386 A387 H430 C433 L497 | V379-E383 WeakPolarHBondContact O-CB 3.47Å; V379-E383 PolarHBondContact O-N 3.32Å; W380-E383 HydrophobicContact CE3-CB 4.46Å; I381-E383 VanDerWaalsContact C-N 3.29Å; I381-E383 PolarHBondContact O-N 2.94Å; E383-N386 WeakPolarHBondContact O-CB 3.34Å; E383-N386 PolarHBondContact O-N 3.06Å; E383-A387 PolarHBondContact O-N 3.33Å; E383-H430 IonicContact OE1-CE1 2.62Å; E383-H430 IonicContact OE1-CG 2.77Å; E383-H430 IonicContact OE1-ND1 3.64Å; E383-H430 PolarHBondContact OE1-ND1 3.35Å; E383-H430 WeakPolarHBondContact OE2-CA 3.32Å; E383-C433 HydrophobicContact CB-CB 3.91Å; E383-C433 HydrophobicContact CG-CB 4.1Å; E383-C433 WeakPolarHBondContact OE2-CB 3.43Å; E383-C433 PolarHBondContact OE2-SG 3.5Å; E383-L497 HydrophobicContact CB-CD1 4.39Å; E383-L497 HydrophobicContact CB-CD2 4.35Å; E383-L497 HydrophobicContact CG-CD1 3.9Å; E383-L497 HydrophobicContact CG-CD2 4.16Å |
| 384 | G | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W380 I381 N386 A387 F388 G494 L497 | W380-G384 PolarHBondContact O-N 3.32Å; I381-G384 PolarHBondContact O-N 3.26Å; G384-N386 VanDerWaalsContact C-N 3.31Å; G384-N386 PolarHBondContact O-N 3.29Å; G384-A387 PolarHBondContact O-N 3.47Å; G384-F388 WeakPolarHBondContact O-CD2 3.04Å; G384-F388 PolarHBondContact O-N 3.01Å; G384-G494 WeakPolarHBondContact O-CA 3.39Å; G384-L497 VanDerWaalsContact CA-CB 3.46Å |
| 385 | L | 98.5 | Very high | 96.3 | Very high | 100 Ų | 100 | 34.6 Ų | 34.6 | 52% | 0.524 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.8 | -37.2 | 173.6 | -66.1 | 175.6 | 0 | 0 | 0 | 111.9 | I381 V382 A387 F388 L389 L498 | I381-L385 HydrophobicContact CG2-CD1 4.19Å; I381-L385 HydrophobicContact CG2-CG 4.49Å; I381-L385 WeakPolarHBondContact O-CG 3.34Å; I381-L385 PolarHBondContact O-N 3.34Å; V382-L385 PolarHBondContact O-N 3.48Å; L385-A387 VanDerWaalsContact C-N 3.35Å; L385-F388 WeakPolarHBondContact O-CB 3.41Å; L385-F388 PolarHBondContact O-N 3.38Å; L385-L389 PolarHBondContact O-N 3.35Å; L385-L498 HydrophobicContact CD2-CD2 4.47Å; L385-L498 HydrophobicContact CG-CD2 4.39Å |
| 386 | N | 98.3 | Very high | 96.1 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.3 | -37.8 | 175.5 | -170 | 51.2 | 0 | 0 | 0 | 112.2 | V382 E383 G384 F388 L389 F390 C426 I429 H430 | V382-N386 WeakPolarHBondContact O-CB 3.33Å; V382-N386 PolarHBondContact O-N 3.02Å; E383-N386 WeakPolarHBondContact O-CB 3.34Å; E383-N386 PolarHBondContact O-N 3.06Å; G384-N386 VanDerWaalsContact C-N 3.31Å; G384-N386 PolarHBondContact O-N 3.29Å; N386-F388 VanDerWaalsContact C-N 3.34Å; N386-F388 PolarHBondContact O-N 3.37Å; N386-L389 WeakPolarHBondContact O-CB 3.34Å; N386-L389 PolarHBondContact O-N 3.45Å; N386-L389 VanDerWaalsContact O-N 3.14Å; N386-F390 PolarHBondContact O-N 3.3Å; N386-C426 PolarHBondContact ND2-O 3.39Å; N386-C426 VanDerWaalsContact OD1-CA 3.3Å; N386-C426 WeakPolarHBondContact OD1-CA 3.32Å; N386-I429 HydrophobicContact CB-CG2 3.79Å; N386-H430 PolarHBondContact ND2-N 3.18Å |
| 387 | A | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.8 | -37.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V323 E383 G384 L385 F390 A391 L497 | V323-A387 HydrophobicContact CG2-CB 3.93Å; E383-A387 PolarHBondContact O-N 3.33Å; G384-A387 PolarHBondContact O-N 3.47Å; L385-A387 VanDerWaalsContact C-N 3.35Å; A387-F390 PolarHBondContact O-N 3.3Å; A387-A391 PolarHBondContact O-N 3.07Å; A387-A391 VanDerWaalsContact O-N 3.11Å; A387-L497 HydrophobicContact CB-CD1 4.36Å |
| 388 | F | 98 | Very high | 95.3 | Very high | 72 Ų | 72 | 39.1 Ų | 39.1 | 32% | 0.316 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.4 | -39 | 170.5 | -75.2 | -73.2 | 0 | 0 | 0 | 112.3 | G384 L385 N386 A391 E392 R491 V495 L498 | G384-F388 WeakPolarHBondContact O-CD2 3.04Å; G384-F388 PolarHBondContact O-N 3.01Å; L385-F388 WeakPolarHBondContact O-CB 3.41Å; L385-F388 PolarHBondContact O-N 3.38Å; N386-F388 VanDerWaalsContact C-N 3.34Å; N386-F388 PolarHBondContact O-N 3.37Å; F388-A391 WeakPolarHBondContact O-CB 3.43Å; F388-A391 PolarHBondContact O-N 3.49Å; F388-E392 PolarHBondContact O-N 2.98Å; F388-R491 HydrophobicContact CD1-CB 4.49Å; F388-R491 HydrophobicContact CD1-CG 4.09Å; F388-R491 HydrophobicContact CE1-CB 4.08Å; F388-R491 HydrophobicContact CE1-CG 4.09Å; F388-V495 HydrophobicContact CZ-CG2 3.85Å; F388-L498 HydrophobicContact CE2-CD1 3.77Å |
| 389 | L | 97 | Very high | 94.4 | Very high | 60 Ų | 60 | 40 Ų | 40 | 31% | 0.314 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63 | -44.4 | 176 | -173.7 | 61.7 | 0 | 0 | 0 | 111 | L385 N386 A391 E392 L393 C426 | L385-L389 PolarHBondContact O-N 3.35Å; N386-L389 WeakPolarHBondContact O-CB 3.34Å; N386-L389 PolarHBondContact O-N 3.45Å; N386-L389 VanDerWaalsContact O-N 3.14Å; L389-A391 VanDerWaalsContact C-N 3.3Å; L389-A391 PolarHBondContact O-N 3.24Å; L389-E392 WeakPolarHBondContact O-CB 3.35Å; L389-E392 PolarHBondContact O-N 2.82Å; L389-L393 WeakPolarHBondContact O-CD1 3.25Å; L389-L393 PolarHBondContact O-N 3Å; L389-C426 VanDerWaalsContact CD2-SG 3.52Å; L389-C426 VanDerWaalsContact CG-SG 3.52Å |
| 390 | F | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -51.6 | -49.7 | 170.3 | -92.1 | -63.4 | 0 | 0 | 0 | 111.3 | V323 A327 F330 N386 A387 E392 L393 Y423 C426 H430 L490 | V323-F390 HydrophobicContact CG1-CD2 4.31Å; V323-F390 HydrophobicContact CG1-CE2 4.15Å; A327-F390 HydrophobicContact CB-CE1 4.09Å; A327-F390 HydrophobicContact CB-CE2 4.32Å; A327-F390 HydrophobicContact CB-CZ 3.87Å; F330-F390 WeakPolarHBondContact CE1-O 3.29Å; N386-F390 PolarHBondContact O-N 3.3Å; A387-F390 PolarHBondContact O-N 3.3Å; F390-E392 PolarHBondContact O-N 2.93Å; F390-L393 WeakPolarHBondContact O-CB 3.2Å; F390-L393 PolarHBondContact O-N 3.3Å; F390-L393 VanDerWaalsContact O-N 3.13Å; F390-Y423 HydrophobicContact CD1-CD2 4.44Å; F390-Y423 AromaticContact CE1-CD2 3.97Å; F390-Y423 HydrophobicContact CE1-CD2 3.97Å; F390-Y423 AromaticContact CE1-CE2 3.93Å; F390-Y423 HydrophobicContact CE1-CE2 3.93Å; F390-C426 HydrophobicContact CD1-CB 3.72Å; F390-C426 HydrophobicContact CD2-CB 3.74Å; F390-C426 HydrophobicContact CE1-CB 3.44Å; F390-C426 VanDerWaalsContact CE1-CB 3.44Å; F390-C426 HydrophobicContact CE2-CB 3.47Å; F390-C426 VanDerWaalsContact CE2-CB 3.47Å; F390-C426 HydrophobicContact CG-CB 3.87Å; F390-C426 VanDerWaalsContact CZ-C 3.49Å; F390-C426 HydrophobicContact CZ-CB 3.31Å; F390-H430 HydrophobicContact CE2-CB 4.49Å; F390-L490 HydrophobicContact CB-CD1 3.93Å; F390-L490 HydrophobicContact CB-CD2 3.98Å |
| 391 | A | 96.8 | Very high | 92 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 2% | 0.017 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.5 | -29.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A387 F388 L389 L393 V487 L490 R491 | A387-A391 PolarHBondContact O-N 3.07Å; A387-A391 VanDerWaalsContact O-N 3.11Å; F388-A391 WeakPolarHBondContact O-CB 3.43Å; F388-A391 PolarHBondContact O-N 3.49Å; L389-A391 VanDerWaalsContact C-N 3.3Å; L389-A391 PolarHBondContact O-N 3.24Å; A391-L393 VanDerWaalsContact C-N 3.32Å; A391-V487 HydrophobicContact CB-CG1 4.21Å; A391-L490 HydrophobicContact CB-CB 3.94Å; A391-L490 HydrophobicContact CB-CD1 4.43Å; A391-R491 HydrophobicContact CB-CG 4Å |
| 392 | E | 95.5 | Very high | 90.3 | Very high | 63 Ų | 63 | 48.2 Ų | 48.2 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -73 | -22.6 | 179.7 | -163.4 | 60.3 | -163.2 | 0 | 0 | 113.3 | F388 L389 F390 S394 R395 | F388-E392 PolarHBondContact O-N 2.98Å; L389-E392 WeakPolarHBondContact O-CB 3.35Å; L389-E392 PolarHBondContact O-N 2.82Å; F390-E392 PolarHBondContact O-N 2.93Å; E392-S394 PolarHBondContact O-N 2.8Å; E392-S394 VanDerWaalsContact O-N 3.16Å; E392-R395 PolarHBondContact O-N 3.29Å; E392-R395 WeakPolarHBondContact OE1-CD 3.39Å; E392-R395 IonicContact OE1-CZ 2.84Å; E392-R395 IonicContact OE1-NE 3.04Å; E392-R395 PolarHBondContact OE1-NE 3.46Å; E392-R395 IonicContact OE1-NH1 2.73Å; E392-R395 PolarHBondContact OE1-NH1 3.25Å; E392-R395 IonicContact OE1-NH2 3.46Å; E392-R395 PolarHBondContact OE1-NH2 3.49Å; E392-R395 IonicContact OE2-CZ 2.87Å; E392-R395 IonicContact OE2-NE 3.12Å; E392-R395 PolarHBondContact OE2-NE 3.05Å; E392-R395 VanDerWaalsContact OE2-NE 3.12Å; E392-R395 IonicContact OE2-NH1 3.5Å; E392-R395 IonicContact OE2-NH2 2.66Å; E392-R395 PolarHBondContact OE2-NH2 3.16Å |
| 393 | L | 95.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.1 | -26.3 | 176 | -84.4 | 72.9 | 0 | 0 | 0 | 112.8 | F330 L334 L389 F390 A391 R395 L396 Y397 L419 F422 Y423 | F330-L393 HydrophobicContact CE1-CB 4.27Å; L334-L393 HydrophobicContact CD1-CB 3.91Å; L334-L393 HydrophobicContact CD1-CD2 4.14Å; L389-L393 WeakPolarHBondContact O-CD1 3.25Å; L389-L393 PolarHBondContact O-N 3Å; F390-L393 WeakPolarHBondContact O-CB 3.2Å; F390-L393 PolarHBondContact O-N 3.3Å; F390-L393 VanDerWaalsContact O-N 3.13Å; A391-L393 VanDerWaalsContact C-N 3.32Å; L393-R395 PolarHBondContact O-N 3.48Å; L393-L396 PolarHBondContact O-N 2.75Å; L393-Y397 PolarHBondContact O-N 3.24Å; L393-L419 HydrophobicContact CB-CD1 3.84Å; L393-L419 HydrophobicContact CD2-CD1 4.04Å; L393-L419 HydrophobicContact CG-CD1 3.96Å; L393-L419 WeakPolarHBondContact O-CD1 3.35Å; L393-F422 HydrophobicContact CD1-CB 4.25Å; L393-F422 HydrophobicContact CD2-CB 4.45Å; L393-F422 HydrophobicContact CG-CB 4.33Å; L393-Y423 HydrophobicContact CD2-CD2 3.92Å; L393-Y423 HydrophobicContact CD2-CG 4.3Å |
| 394 | S | 93.5 | Very high | 86.4 | Confident | 39 Ų | 39 | 51.4 Ų | 51.4 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.5 | -35.4 | 174 | 177.5 | 0 | 0 | 0 | 0 | 112 | E392 Y397 G398 | E392-S394 PolarHBondContact O-N 2.8Å; E392-S394 VanDerWaalsContact O-N 3.16Å; S394-Y397 PolarHBondContact O-N 3.33Å; S394-G398 PolarHBondContact O-N 3.44Å |
| 395 | R | 90.9 | Very high | 84.1 | Confident | 138 Ų | 138 | 55.7 Ų | 55.7 | 52% | 0.521 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -71 | -40.5 | 175.9 | -60 | -165.8 | -146.6 | 155.2 | 7.5 | 112 | E392 L393 Y397 G398 N399 | E392-R395 PolarHBondContact O-N 3.29Å; E392-R395 WeakPolarHBondContact OE1-CD 3.39Å; E392-R395 IonicContact OE1-CZ 2.84Å; E392-R395 IonicContact OE1-NE 3.04Å; E392-R395 PolarHBondContact OE1-NE 3.46Å; E392-R395 IonicContact OE1-NH1 2.73Å; E392-R395 PolarHBondContact OE1-NH1 3.25Å; E392-R395 IonicContact OE1-NH2 3.46Å; E392-R395 PolarHBondContact OE1-NH2 3.49Å; E392-R395 IonicContact OE2-CZ 2.87Å; E392-R395 IonicContact OE2-NE 3.12Å; E392-R395 PolarHBondContact OE2-NE 3.05Å; E392-R395 VanDerWaalsContact OE2-NE 3.12Å; E392-R395 IonicContact OE2-NH1 3.5Å; E392-R395 IonicContact OE2-NH2 2.66Å; E392-R395 PolarHBondContact OE2-NH2 3.16Å; L393-R395 PolarHBondContact O-N 3.48Å; R395-Y397 VanDerWaalsContact C-N 3.28Å; R395-Y397 PolarHBondContact O-N 3.11Å; R395-G398 PolarHBondContact O-N 3.26Å; R395-N399 PolarHBondContact O-N 3.41Å |
| 396 | L | 87.4 | Confident | 82.2 | Confident | 57 Ų | 57 | 57.8 Ų | 57.8 | 30% | 0.298 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.2 | -40 | 174.5 | -67.2 | 177.1 | 0 | 0 | 0 | 111.2 | L393 N399 Y400 L419 F422 | L393-L396 PolarHBondContact O-N 2.75Å; L396-N399 PolarHBondContact O-N 3.41Å; L396-Y400 PolarHBondContact O-N 2.78Å; L396-Y400 VanDerWaalsContact O-N 3.09Å; L396-L419 HydrophobicContact CB-CD1 4.01Å; L396-F422 HydrophobicContact CD1-CD2 3.87Å; L396-F422 HydrophobicContact CD1-CE2 4.42Å; L396-F422 HydrophobicContact CD1-CG 4.39Å |
| 397 | Y | 88 | Confident | 80.2 | Confident | 65 Ų | 65 | 63.3 Ų | 63.3 | 26% | 0.255 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 174.7 | 176.7 | -103.2 | 0 | 0 | 0 | 112.8 | L334 A335 L393 S394 R395 N399 Y400 T401 L419 | L334-Y397 HydrophobicContact CD2-CD1 4.44Å; L334-Y397 HydrophobicContact CD2-CG 4.02Å; L334-Y397 WeakPolarHBondContact O-CD2 3.33Å; L334-Y397 VanDerWaalsContact O-CE2 3.29Å; L334-Y397 WeakPolarHBondContact O-CE2 3.18Å; A335-Y397 HydrophobicContact CB-CE2 4.03Å; L393-Y397 PolarHBondContact O-N 3.24Å; S394-Y397 PolarHBondContact O-N 3.33Å; R395-Y397 VanDerWaalsContact C-N 3.28Å; R395-Y397 PolarHBondContact O-N 3.11Å; Y397-N399 VanDerWaalsContact C-N 3.3Å; Y397-N399 PolarHBondContact O-N 3.04Å; Y397-Y400 HydrophobicContact CD2-CD1 4.18Å; Y397-Y400 HydrophobicContact CE2-CD1 4.3Å; Y397-Y400 WeakPolarHBondContact O-CB 3.3Å; Y397-Y400 PolarHBondContact O-N 3.25Å; Y397-T401 HydrophobicContact CD1-CG2 4.34Å; Y397-T401 HydrophobicContact CD2-CG2 4.27Å; Y397-T401 HydrophobicContact CE1-CG2 3.82Å; Y397-T401 HydrophobicContact CE2-CG2 3.74Å; Y397-T401 VanDerWaalsContact CZ-CG2 3.48Å; Y397-T401 PolarHBondContact O-N 3.4Å; Y397-T401 PolarHBondContact O-OG1 2.95Å; Y397-L419 HydrophobicContact CD2-CD2 4Å |
| 398 | G | 83.9 | Confident | 78.3 | Confident | 28 Ų | 28 | 66.2 Ų | 66.2 | 29% | 0.289 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.1 | -36.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S394 R395 T401 T402 | S394-G398 PolarHBondContact O-N 3.44Å; R395-G398 PolarHBondContact O-N 3.26Å; G398-T401 PolarHBondContact O-OG1 2.92Å; G398-T402 PolarHBondContact O-N 3.15Å; G398-T402 PolarHBondContact O-OG1 3.15Å |
| 399 | N | 78.2 | Confident | 76.2 | Confident | 98 Ų | 98 | 68.3 Ų | 68.3 | 52% | 0.524 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.4 | -44.4 | 173.8 | -68.5 | -12.5 | 0 | 0 | 0 | 111.3 | R395 L396 Y397 T402 I403 | R395-N399 PolarHBondContact O-N 3.41Å; L396-N399 PolarHBondContact O-N 3.41Å; Y397-N399 VanDerWaalsContact C-N 3.3Å; Y397-N399 PolarHBondContact O-N 3.04Å; N399-T402 PolarHBondContact O-N 3.27Å; N399-I403 WeakPolarHBondContact O-CG1 3.49Å; N399-I403 PolarHBondContact O-N 2.97Å |
| 400 | Y | 73.1 | Confident | 74.2 | Confident | 54 Ų | 54 | 73 Ų | 73 | 21% | 0.212 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58.7 | -47.7 | 176.9 | 163.9 | -111.1 | 0 | 0 | 0 | 112.7 | L396 Y397 T402 I403 T404 D415 K416 | L396-Y400 PolarHBondContact O-N 2.78Å; L396-Y400 VanDerWaalsContact O-N 3.09Å; Y397-Y400 HydrophobicContact CD2-CD1 4.18Å; Y397-Y400 HydrophobicContact CE2-CD1 4.3Å; Y397-Y400 WeakPolarHBondContact O-CB 3.3Å; Y397-Y400 PolarHBondContact O-N 3.25Å; Y400-T402 VanDerWaalsContact C-N 3.32Å; Y400-T402 PolarHBondContact O-N 3.42Å; Y400-I403 PolarHBondContact O-N 3.3Å; Y400-T404 HydrophobicContact CE2-CG2 4.13Å; Y400-T404 PolarHBondContact O-N 2.83Å; Y400-D415 HydrophobicContact CD2-CB 4.33Å; Y400-K416 HydrophobicContact CD2-CB 4.16Å; Y400-K416 HydrophobicContact CE2-CB 3.87Å; Y400-K416 HydrophobicContact CE2-CD 4.45Å |
| 401 | T | 69.2 | Low | 72 | Confident | 54 Ų | 54 | 77.2 Ų | 77.2 | 33% | 0.331 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -70.5 | -26 | -177.3 | 53.5 | 0 | 0 | 0 | 0 | 113.7 | Y397 G398 T404 | Y397-T401 HydrophobicContact CD1-CG2 4.34Å; Y397-T401 HydrophobicContact CD2-CG2 4.27Å; Y397-T401 HydrophobicContact CE1-CG2 3.82Å; Y397-T401 HydrophobicContact CE2-CG2 3.74Å; Y397-T401 VanDerWaalsContact CZ-CG2 3.48Å; Y397-T401 PolarHBondContact O-N 3.4Å; Y397-T401 PolarHBondContact O-OG1 2.95Å; G398-T401 PolarHBondContact O-OG1 2.92Å; T401-T404 PolarHBondContact O-OG1 3.45Å |
| 402 | T | 63.7 | Low | 70.1 | Confident | 115 Ų | 115 | 80.1 Ų | 80.1 | 71% | 0.706 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -73.8 | -28.9 | 177.8 | -54.6 | 0 | 0 | 0 | 0 | 112.1 | G398 N399 Y400 | G398-T402 PolarHBondContact O-N 3.15Å; G398-T402 PolarHBondContact O-OG1 3.15Å; N399-T402 PolarHBondContact O-N 3.27Å; Y400-T402 VanDerWaalsContact C-N 3.32Å; Y400-T402 PolarHBondContact O-N 3.42Å |
| 403 | I | 55.6 | Low | 68.8 | Low | 73 Ų | 73 | 80.9 Ų | 80.9 | 37% | 0.374 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -83.4 | -27.7 | -178 | -63.2 | 167.7 | 0 | 0 | 0 | 111.6 | N399 Y400 D405 V411 D415 | N399-I403 WeakPolarHBondContact O-CG1 3.49Å; N399-I403 PolarHBondContact O-N 2.97Å; Y400-I403 PolarHBondContact O-N 3.3Å; I403-D405 PolarHBondContact O-N 3.06Å; I403-V411 HydrophobicContact CG2-CB 4.15Å; I403-V411 HydrophobicContact CG2-CG1 4.03Å; I403-V411 WeakPolarHBondContact CG2-O 3.25Å; I403-D415 WeakPolarHBondContact CD1-OD2 3.45Å |
| 404 | T | 57.9 | Low | 68.1 | Low | 56 Ų | 56 | 85.6 Ų | 85.6 | 34% | 0.344 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -72.3 | 88.4 | 168.6 | 49.5 | 0 | 0 | 0 | 0 | 110.2 | Y400 T401 | Y400-T404 HydrophobicContact CE2-CG2 4.13Å; Y400-T404 PolarHBondContact O-N 2.83Å; T401-T404 PolarHBondContact O-OG1 3.45Å |
| 405 | D | 50.7 | Low | 67.6 | Low | 91 Ų | 91 | 86 Ų | 86 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | trans | -59.9 | 156.8 | -179.9 | -176.1 | 27 | 0 | 0 | 0 | 112.8 | I403 N407 G408 | I403-D405 PolarHBondContact O-N 3.06Å; D405-N407 PolarHBondContact O-N 3.47Å; D405-N407 PolarHBondContact OD2-ND2 2.96Å; D405-G408 PolarHBondContact O-N 3.28Å | ||
| 406 | V | 57.7 | Low | 67.3 | Low | 143 Ų | 143 | 83.8 Ų | 83.8 | 87% | 0.867 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -22.1 | -179.8 | -177.1 | 0 | 0 | 0 | 0 | 112.9 | G408 | V406-G408 VanDerWaalsContact C-N 3.31Å; V406-G408 PolarHBondContact O-N 3.02Å |
| 407 | N | 57.2 | Low | 67.4 | Low | 121 Ų | 121 | 85.1 Ų | 85.1 | 65% | 0.647 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -4.9 | 179 | -61.6 | -49.8 | 0 | 0 | 0 | 114.2 | D405 D409 | D405-N407 PolarHBondContact O-N 3.47Å; D405-N407 PolarHBondContact OD2-ND2 2.96Å; N407-D409 VanDerWaalsContact C-N 3.28Å; N407-D409 PolarHBondContact O-N 2.99Å |
| 408 | G | 56.9 | Low | 67.6 | Low | 61 Ų | 61 | 84.8 Ų | 84.8 | 63% | 0.629 | 49% | 0.492 | S | S | * | . | trans | 75.2 | 11.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115 | D405 V406 | D405-G408 PolarHBondContact O-N 3.28Å; V406-G408 VanDerWaalsContact C-N 3.31Å; V406-G408 PolarHBondContact O-N 3.02Å | ||
| 409 | D | 54.9 | Low | 68 | Low | 116 Ų | 116 | 83.5 Ų | 83.5 | 62% | 0.62 | 48% | 0.478 | S | S | * | . | trans | -74.9 | 126.9 | 177 | -76.7 | -33.5 | 0 | 0 | 0 | 110.8 | N407 V411 | N407-D409 VanDerWaalsContact C-N 3.28Å; N407-D409 PolarHBondContact O-N 2.99Å; D409-V411 VanDerWaalsContact C-N 3.34Å; D409-V411 PolarHBondContact O-N 2.96Å | ||
| 410 | I | 55.5 | Low | 68.8 | Low | 158 Ų | 158 | 80.5 Ų | 80.5 | 81% | 0.81 | 46% | 0.462 | S | S | * | . | trans | -71.4 | 86.8 | -176.6 | -55.6 | 170.8 | 0 | 0 | 0 | 108.7 | ||||
| 411 | V | 49.2 | Very low | 69.9 | Low | 88 Ų | 88 | 80.1 Ų | 80.1 | 53% | 0.533 | 47% | 0.47 | S | S | . | . | trans | -102.7 | 106.8 | 167.6 | -173.1 | 0 | 0 | 0 | 0 | 108.4 | I403 D409 | I403-V411 HydrophobicContact CG2-CB 4.15Å; I403-V411 HydrophobicContact CG2-CG1 4.03Å; I403-V411 WeakPolarHBondContact CG2-O 3.25Å; D409-V411 VanDerWaalsContact C-N 3.34Å; D409-V411 PolarHBondContact O-N 2.96Å | ||
| 412 | D | 58.3 | Low | 71.2 | Confident | 63 Ų | 63 | 81.3 Ų | 81.3 | 34% | 0.337 | 47% | 0.471 | S | S | . | . | trans | 88.4 | 89.9 | 167.5 | -142.7 | 0.9 | 0 | 0 | 0 | 119.8 | N414 | D412-N414 PolarHBondContact O-N 3.16Å; D412-N414 WeakPolarHBondContact OD1-CB 3.22Å; D412-N414 PolarHBondContact OD1-N 3.32Å | ||
| 413 | S | 68.3 | Low | 72.8 | Confident | 79 Ų | 79 | 75.9 Ų | 75.9 | 55% | 0.552 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -64.1 | -19 | 164.1 | 55 | 0 | 0 | 0 | 0 | 113.5 | T417 | S413-T417 WeakPolarHBondContact O-CB 3.33Å; S413-T417 PolarHBondContact O-N 3.11Å; S413-T417 VanDerWaalsContact O-N 3.12Å; S413-T417 PolarHBondContact O-OG1 3.43Å |
| 414 | N | 80.4 | Confident | 74.8 | Confident | 100 Ų | 100 | 74.9 Ų | 74.9 | 54% | 0.535 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69.7 | -46.7 | -176 | -69.6 | -18.5 | 0 | 0 | 0 | 111.6 | D412 K416 T417 V418 | D412-N414 PolarHBondContact O-N 3.16Å; D412-N414 WeakPolarHBondContact OD1-CB 3.22Å; D412-N414 PolarHBondContact OD1-N 3.32Å; N414-K416 VanDerWaalsContact C-N 3.33Å; N414-K416 PolarHBondContact O-N 3.06Å; N414-T417 CarbonylContact O-C 3.59Å; N414-T417 WeakPolarHBondContact O-CA 3.21Å; N414-T417 WeakPolarHBondContact O-CB 3.46Å; N414-T417 PolarHBondContact O-N 2.99Å; N414-V418 WeakPolarHBondContact O-CB 3.47Å; N414-V418 VanDerWaalsContact O-CG2 3.26Å; N414-V418 WeakPolarHBondContact O-CG2 3.38Å; N414-V418 PolarHBondContact O-N 2.99Å |
| 415 | D | 82.9 | Confident | 76.7 | Confident | 49 Ų | 49 | 76.2 Ų | 76.2 | 26% | 0.262 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.9 | -42.3 | -177.6 | -78.8 | -16.6 | 0 | 0 | 0 | 112.4 | Y400 I403 T417 V418 L419 | Y400-D415 HydrophobicContact CD2-CB 4.33Å; I403-D415 WeakPolarHBondContact CD1-OD2 3.45Å; D415-T417 VanDerWaalsContact C-N 3.34Å; D415-T417 PolarHBondContact O-N 3.15Å; D415-V418 PolarHBondContact O-N 3.31Å; D415-L419 WeakPolarHBondContact O-CB 3.28Å; D415-L419 PolarHBondContact O-N 3.49Å |
| 416 | K | 84.9 | Confident | 78.9 | Confident | 90 Ų | 90 | 71.9 Ų | 71.9 | 39% | 0.391 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 172.9 | -174.6 | 172.1 | -174.9 | 167.2 | 0 | 111.9 | Y400 N414 V418 L419 I420 | Y400-K416 HydrophobicContact CD2-CB 4.16Å; Y400-K416 HydrophobicContact CE2-CB 3.87Å; Y400-K416 HydrophobicContact CE2-CD 4.45Å; N414-K416 VanDerWaalsContact C-N 3.33Å; N414-K416 PolarHBondContact O-N 3.06Å; K416-V418 VanDerWaalsContact C-N 3.32Å; K416-L419 PolarHBondContact O-N 2.82Å; K416-I420 HydrophobicContact CG-CD1 3.92Å; K416-I420 WeakPolarHBondContact O-CB 3.41Å; K416-I420 WeakPolarHBondContact O-CD1 3.17Å; K416-I420 VanDerWaalsContact O-CG1 3.22Å; K416-I420 WeakPolarHBondContact O-CG1 3.21Å; K416-I420 PolarHBondContact O-N 3.43Å |
| 417 | T | 88.8 | Confident | 80.8 | Confident | 85 Ų | 85 | 65.3 Ų | 65.3 | 52% | 0.521 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 177.6 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | S413 N414 D415 I420 A421 | S413-T417 WeakPolarHBondContact O-CB 3.33Å; S413-T417 PolarHBondContact O-N 3.11Å; S413-T417 VanDerWaalsContact O-N 3.12Å; S413-T417 PolarHBondContact O-OG1 3.43Å; N414-T417 CarbonylContact O-C 3.59Å; N414-T417 WeakPolarHBondContact O-CA 3.21Å; N414-T417 WeakPolarHBondContact O-CB 3.46Å; N414-T417 PolarHBondContact O-N 2.99Å; D415-T417 VanDerWaalsContact C-N 3.34Å; D415-T417 PolarHBondContact O-N 3.15Å; T417-I420 PolarHBondContact O-N 3.17Å; T417-A421 VanDerWaalsContact O-CB 3.3Å; T417-A421 WeakPolarHBondContact O-CB 3.26Å; T417-A421 PolarHBondContact O-N 2.99Å |
| 418 | V | 91.8 | Very high | 82.7 | Confident | 58 Ų | 58 | 60.8 Ų | 60.8 | 35% | 0.352 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.2 | -48 | 176.6 | 170.8 | 0 | 0 | 0 | 0 | 110.5 | N414 D415 K416 I420 A421 F422 | N414-V418 WeakPolarHBondContact O-CB 3.47Å; N414-V418 VanDerWaalsContact O-CG2 3.26Å; N414-V418 WeakPolarHBondContact O-CG2 3.38Å; N414-V418 PolarHBondContact O-N 2.99Å; D415-V418 PolarHBondContact O-N 3.31Å; K416-V418 VanDerWaalsContact C-N 3.32Å; V418-I420 VanDerWaalsContact C-N 3.34Å; V418-I420 PolarHBondContact O-N 3.23Å; V418-A421 PolarHBondContact O-N 3.28Å; V418-F422 HydrophobicContact CG1-CD2 3.58Å; V418-F422 HydrophobicContact CG1-CE2 3.54Å; V418-F422 VanDerWaalsContact O-CD2 3.27Å; V418-F422 WeakPolarHBondContact O-CD2 3.41Å; V418-F422 PolarHBondContact O-N 3.47Å |
| 419 | L | 93.1 | Very high | 84.7 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.8 | -48.5 | 175.7 | 178.2 | 66.8 | 0 | 0 | 0 | 111.4 | L334 L336 L393 L396 Y397 D415 K416 F422 Y423 | L334-L419 HydrophobicContact CD1-CD1 4.42Å; L336-L419 HydrophobicContact CD2-CD2 4.38Å; L393-L419 HydrophobicContact CB-CD1 3.84Å; L393-L419 HydrophobicContact CD2-CD1 4.04Å; L393-L419 HydrophobicContact CG-CD1 3.96Å; L393-L419 WeakPolarHBondContact O-CD1 3.35Å; L396-L419 HydrophobicContact CB-CD1 4.01Å; Y397-L419 HydrophobicContact CD2-CD2 4Å; D415-L419 WeakPolarHBondContact O-CB 3.28Å; D415-L419 PolarHBondContact O-N 3.49Å; K416-L419 PolarHBondContact O-N 2.82Å; L419-F422 PolarHBondContact O-N 2.9Å; L419-Y423 WeakPolarHBondContact O-CB 3.31Å; L419-Y423 PolarHBondContact O-N 3.48Å |
| 420 | I | 94.7 | Very high | 86.7 | Confident | 35 Ų | 35 | 55.1 Ų | 55.1 | 18% | 0.179 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.5 | -47 | 177.7 | -68.2 | 166.4 | 0 | 0 | 0 | 110.3 | L336 I340 K416 T417 V418 F422 Y423 F424 | L336-I420 HydrophobicContact CD2-CG1 3.95Å; I340-I420 HydrophobicContact CD1-CD1 3.7Å; I340-I420 HydrophobicContact CD1-CG1 4.13Å; I340-I420 HydrophobicContact CG2-CG2 4.15Å; K416-I420 HydrophobicContact CG-CD1 3.92Å; K416-I420 WeakPolarHBondContact O-CB 3.41Å; K416-I420 WeakPolarHBondContact O-CD1 3.17Å; K416-I420 VanDerWaalsContact O-CG1 3.22Å; K416-I420 WeakPolarHBondContact O-CG1 3.21Å; K416-I420 PolarHBondContact O-N 3.43Å; T417-I420 PolarHBondContact O-N 3.17Å; V418-I420 VanDerWaalsContact C-N 3.34Å; V418-I420 PolarHBondContact O-N 3.23Å; I420-F422 PolarHBondContact O-N 2.78Å; I420-Y423 WeakPolarHBondContact O-CB 3.3Å; I420-Y423 PolarHBondContact O-N 3.23Å; I420-F424 HydrophobicContact CG2-CD2 3.68Å; I420-F424 HydrophobicContact CG2-CE2 3.62Å; I420-F424 VanDerWaalsContact O-CD2 3.27Å; I420-F424 WeakPolarHBondContact O-CD2 3.45Å; I420-F424 PolarHBondContact O-N 3.21Å |
| 421 | A | 96 | Very high | 88.6 | Confident | 46 Ų | 46 | 47.6 Ų | 47.6 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59 | -46.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T417 V418 Y423 F424 I425 | T417-A421 VanDerWaalsContact O-CB 3.3Å; T417-A421 WeakPolarHBondContact O-CB 3.26Å; T417-A421 PolarHBondContact O-N 2.99Å; V418-A421 PolarHBondContact O-N 3.28Å; A421-Y423 VanDerWaalsContact C-N 3.33Å; A421-Y423 PolarHBondContact O-N 3.4Å; A421-F424 PolarHBondContact O-N 3.42Å; A421-I425 VanDerWaalsContact O-CG1 3.29Å; A421-I425 WeakPolarHBondContact O-CG1 3.5Å; A421-I425 PolarHBondContact O-N 3.4Å |
| 422 | F | 96.4 | Very high | 90.8 | Very high | 79 Ų | 79 | 47.1 Ų | 47.1 | 35% | 0.346 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 175.8 | -83.7 | -70.3 | 0 | 0 | 0 | 112.4 | L393 L396 V418 L419 I420 F424 I425 C426 | L393-F422 HydrophobicContact CD1-CB 4.25Å; L393-F422 HydrophobicContact CD2-CB 4.45Å; L393-F422 HydrophobicContact CG-CB 4.33Å; L396-F422 HydrophobicContact CD1-CD2 3.87Å; L396-F422 HydrophobicContact CD1-CE2 4.42Å; L396-F422 HydrophobicContact CD1-CG 4.39Å; V418-F422 HydrophobicContact CG1-CD2 3.58Å; V418-F422 HydrophobicContact CG1-CE2 3.54Å; V418-F422 VanDerWaalsContact O-CD2 3.27Å; V418-F422 WeakPolarHBondContact O-CD2 3.41Å; V418-F422 PolarHBondContact O-N 3.47Å; L419-F422 PolarHBondContact O-N 2.9Å; I420-F422 PolarHBondContact O-N 2.78Å; F422-F424 VanDerWaalsContact C-N 3.33Å; F422-F424 PolarHBondContact O-N 3.34Å; F422-I425 PolarHBondContact O-N 2.95Å; F422-C426 PolarHBondContact O-N 3.4Å; F422-C426 PolarHBondContact O-SG 3.31Å |
| 423 | Y | 97.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.7 | -41.1 | 176.5 | -174.6 | -98.1 | 0 | 0 | 0 | 111.7 | A327 L336 A344 F390 L393 L419 I420 A421 S427 | A327-Y423 PolarHBondContact O-OH 2.92Å; L336-Y423 HydrophobicContact CD1-CD1 3.84Å; L336-Y423 HydrophobicContact CD1-CD2 3.95Å; L336-Y423 HydrophobicContact CD1-CE1 4.14Å; L336-Y423 HydrophobicContact CD1-CE2 4.26Å; L336-Y423 HydrophobicContact CD1-CG 3.73Å; A344-Y423 HydrophobicContact CB-CD1 3.72Å; A344-Y423 HydrophobicContact CB-CE1 3.45Å; A344-Y423 VanDerWaalsContact CB-CE1 3.45Å; F390-Y423 HydrophobicContact CD1-CD2 4.44Å; F390-Y423 AromaticContact CE1-CD2 3.97Å; F390-Y423 HydrophobicContact CE1-CD2 3.97Å; F390-Y423 AromaticContact CE1-CE2 3.93Å; F390-Y423 HydrophobicContact CE1-CE2 3.93Å; L393-Y423 HydrophobicContact CD2-CD2 3.92Å; L393-Y423 HydrophobicContact CD2-CG 4.3Å; L419-Y423 WeakPolarHBondContact O-CB 3.31Å; L419-Y423 PolarHBondContact O-N 3.48Å; I420-Y423 WeakPolarHBondContact O-CB 3.3Å; I420-Y423 PolarHBondContact O-N 3.23Å; A421-Y423 VanDerWaalsContact C-N 3.33Å; A421-Y423 PolarHBondContact O-N 3.4Å; Y423-S427 WeakPolarHBondContact O-CB 3.4Å; Y423-S427 PolarHBondContact O-N 3.41Å; Y423-S427 PolarHBondContact O-OG 3.49Å |
| 424 | F | 98 | Very high | 93.8 | Very high | 52 Ų | 52 | 40.7 Ų | 40.7 | 23% | 0.228 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.6 | -42.5 | 173.5 | -88.1 | -80.2 | 0 | 0 | 0 | 112.5 | I340 R343 A344 V347 I420 A421 F422 S427 A428 | I340-F424 HydrophobicContact CG2-CE2 3.97Å; I340-F424 HydrophobicContact CG2-CZ 4.48Å; R343-F424 HydrophobicContact CB-CE1 3.9Å; R343-F424 HydrophobicContact CB-CZ 3.77Å; A344-F424 HydrophobicContact CB-CD1 3.99Å; A344-F424 HydrophobicContact CB-CE1 3.96Å; A344-F424 HydrophobicContact CB-CG 4.46Å; A344-F424 HydrophobicContact CB-CZ 4.39Å; V347-F424 HydrophobicContact CB-CD1 4.36Å; V347-F424 HydrophobicContact CG2-CD1 4Å; V347-F424 HydrophobicContact CG2-CE1 4.04Å; I420-F424 HydrophobicContact CG2-CD2 3.68Å; I420-F424 HydrophobicContact CG2-CE2 3.62Å; I420-F424 VanDerWaalsContact O-CD2 3.27Å; I420-F424 WeakPolarHBondContact O-CD2 3.45Å; I420-F424 PolarHBondContact O-N 3.21Å; A421-F424 PolarHBondContact O-N 3.42Å; F422-F424 VanDerWaalsContact C-N 3.33Å; F422-F424 PolarHBondContact O-N 3.34Å; F424-S427 PolarHBondContact O-N 3.23Å; F424-A428 WeakPolarHBondContact O-CB 3.43Å; F424-A428 PolarHBondContact O-N 3.24Å |
| 425 | I | 97.7 | Very high | 94.3 | Very high | 83 Ų | 83 | 35.9 Ų | 35.9 | 43% | 0.426 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.4 | -49.1 | 177 | -69.1 | 164.5 | 0 | 0 | 0 | 110.4 | A421 F422 S427 A428 I429 | A421-I425 VanDerWaalsContact O-CG1 3.29Å; A421-I425 WeakPolarHBondContact O-CG1 3.5Å; A421-I425 PolarHBondContact O-N 3.4Å; F422-I425 PolarHBondContact O-N 2.95Å; I425-S427 VanDerWaalsContact C-N 3.3Å; I425-S427 PolarHBondContact O-N 3.3Å; I425-A428 PolarHBondContact O-N 3.02Å; I425-I429 HydrophobicContact CG2-CD1 3.82Å; I425-I429 HydrophobicContact CG2-CG1 4.5Å; I425-I429 WeakPolarHBondContact O-CG1 3.42Å; I425-I429 PolarHBondContact O-N 3.12Å |
| 426 | C | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | 179.4 | -60.4 | 0 | 0 | 0 | 0 | 111.8 | N386 L389 F390 F422 I429 H430 | N386-C426 PolarHBondContact ND2-O 3.39Å; N386-C426 VanDerWaalsContact OD1-CA 3.3Å; N386-C426 WeakPolarHBondContact OD1-CA 3.32Å; L389-C426 VanDerWaalsContact CD2-SG 3.52Å; L389-C426 VanDerWaalsContact CG-SG 3.52Å; F390-C426 HydrophobicContact CD1-CB 3.72Å; F390-C426 HydrophobicContact CD2-CB 3.74Å; F390-C426 HydrophobicContact CE1-CB 3.44Å; F390-C426 VanDerWaalsContact CE1-CB 3.44Å; F390-C426 HydrophobicContact CE2-CB 3.47Å; F390-C426 VanDerWaalsContact CE2-CB 3.47Å; F390-C426 HydrophobicContact CG-CB 3.87Å; F390-C426 VanDerWaalsContact CZ-C 3.49Å; F390-C426 HydrophobicContact CZ-CB 3.31Å; F422-C426 PolarHBondContact O-N 3.4Å; F422-C426 PolarHBondContact O-SG 3.31Å; C426-I429 PolarHBondContact O-N 3.24Å; C426-H430 WeakPolarHBondContact O-CB 3.44Å; C426-H430 PolarHBondContact O-N 2.83Å |
| 427 | S | 97.2 | Very high | 95 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.6 | -41.8 | 175.9 | -58.4 | 0 | 0 | 0 | 0 | 112 | A348 Y423 F424 I425 H430 G431 | A348-S427 WeakPolarHBondContact CB-O 3.27Å; Y423-S427 WeakPolarHBondContact O-CB 3.4Å; Y423-S427 PolarHBondContact O-N 3.41Å; Y423-S427 PolarHBondContact O-OG 3.49Å; F424-S427 PolarHBondContact O-N 3.23Å; I425-S427 VanDerWaalsContact C-N 3.3Å; I425-S427 PolarHBondContact O-N 3.3Å; S427-H430 PolarHBondContact O-N 3.12Å; S427-G431 PolarHBondContact O-N 3.22Å |
| 428 | A | 97.7 | Very high | 94.9 | Very high | 26 Ų | 26 | 28.6 Ų | 28.6 | 22% | 0.215 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.1 | -44.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V347 F424 I425 G431 I432 | V347-A428 HydrophobicContact CG1-CB 3.85Å; F424-A428 WeakPolarHBondContact O-CB 3.43Å; F424-A428 PolarHBondContact O-N 3.24Å; I425-A428 PolarHBondContact O-N 3.02Å; A428-G431 PolarHBondContact O-N 2.97Å; A428-I432 WeakPolarHBondContact O-CG1 3.39Å; A428-I432 PolarHBondContact O-N 3.32Å |
| 429 | I | 97.8 | Very high | 94.5 | Very high | 50 Ų | 50 | 27.4 Ų | 27.4 | 26% | 0.256 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60.8 | -47.1 | 176.3 | -66.7 | 166.8 | 0 | 0 | 0 | 110.2 | V382 N386 I425 C426 G431 I432 C433 | V382-I429 HydrophobicContact CG1-CG2 3.97Å; N386-I429 HydrophobicContact CB-CG2 3.79Å; I425-I429 HydrophobicContact CG2-CD1 3.82Å; I425-I429 HydrophobicContact CG2-CG1 4.5Å; I425-I429 WeakPolarHBondContact O-CG1 3.42Å; I425-I429 PolarHBondContact O-N 3.12Å; C426-I429 PolarHBondContact O-N 3.24Å; I429-G431 VanDerWaalsContact C-N 3.32Å; I429-G431 PolarHBondContact O-N 3.2Å; I429-I432 PolarHBondContact O-N 2.89Å; I429-I432 VanDerWaalsContact O-N 3.15Å; I429-C433 PolarHBondContact O-N 3.17Å; I429-C433 PolarHBondContact O-SG 2.89Å; I429-C433 VanDerWaalsContact O-SG 3.36Å |
| 430 | H | 97.4 | Very high | 94.2 | Very high | 8 Ų | 8 | 27.3 Ų | 27.3 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55.2 | -47.1 | 176.3 | 176.1 | 63.5 | 0 | 0 | 0 | 112 | D320 E383 N386 F390 C426 S427 I432 C433 S434 | D320-H430 IonicContact OD1-CE1 3.03Å; D320-H430 PolarHBondContact OD1-CE1 3.39Å; D320-H430 IonicContact OD1-ND1 3.15Å; E383-H430 IonicContact OE1-CE1 2.62Å; E383-H430 IonicContact OE1-CG 2.77Å; E383-H430 IonicContact OE1-ND1 3.64Å; E383-H430 PolarHBondContact OE1-ND1 3.35Å; E383-H430 WeakPolarHBondContact OE2-CA 3.32Å; N386-H430 PolarHBondContact ND2-N 3.18Å; F390-H430 HydrophobicContact CE2-CB 4.49Å; C426-H430 WeakPolarHBondContact O-CB 3.44Å; C426-H430 PolarHBondContact O-N 2.83Å; S427-H430 PolarHBondContact O-N 3.12Å; H430-I432 PolarHBondContact O-N 2.85Å; H430-C433 PolarHBondContact O-N 2.99Å; H430-S434 VanDerWaalsContact O-CB 3.26Å; H430-S434 WeakPolarHBondContact O-CB 3.5Å; H430-S434 PolarHBondContact O-N 3.44Å |
| 431 | G | 96 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.5 | -46.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A348 D352 S427 A428 I429 G435 | A348-G431 VanDerWaalsContact O-CA 3.25Å; A348-G431 WeakPolarHBondContact O-CA 3.48Å; D352-G431 VanDerWaalsContact CA-O 3.24Å; D352-G431 WeakPolarHBondContact CA-O 2.84Å; D352-G431 PolarHBondContact N-O 3.34Å; S427-G431 PolarHBondContact O-N 3.22Å; A428-G431 PolarHBondContact O-N 2.97Å; I429-G431 VanDerWaalsContact C-N 3.32Å; I429-G431 PolarHBondContact O-N 3.2Å; G431-G435 PolarHBondContact O-N 3.44Å |
| 432 | I | 95.5 | Very high | 93.2 | Very high | 78 Ų | 78 | 26.7 Ų | 26.7 | 40% | 0.4 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -63 | -45.3 | 178 | -70.9 | 169.7 | 0 | 0 | 0 | 111.1 | T355 A428 I429 H430 T436 | T355-I432 HydrophobicContact CG2-CB 3.96Å; T355-I432 HydrophobicContact CG2-CG1 4.06Å; T355-I432 HydrophobicContact CG2-CG2 3.6Å; A428-I432 WeakPolarHBondContact O-CG1 3.39Å; A428-I432 PolarHBondContact O-N 3.32Å; I429-I432 PolarHBondContact O-N 2.89Å; I429-I432 VanDerWaalsContact O-N 3.15Å; H430-I432 PolarHBondContact O-N 2.85Å; I432-T436 WeakPolarHBondContact O-CB 3.5Å; I432-T436 PolarHBondContact O-N 3.37Å; I432-T436 PolarHBondContact O-OG1 2.74Å |
| 433 | C | 95.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 3% | 0.034 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.8 | -50.5 | 178.7 | -70.4 | 0 | 0 | 0 | 0 | 111.6 | V379 E383 I429 H430 G435 T436 A437 | V379-C433 HydrophobicContact CG1-CB 4Å; V379-C433 WeakPolarHBondContact CG1-O 3.11Å; E383-C433 HydrophobicContact CB-CB 3.91Å; E383-C433 HydrophobicContact CG-CB 4.1Å; E383-C433 WeakPolarHBondContact OE2-CB 3.43Å; E383-C433 PolarHBondContact OE2-SG 3.5Å; I429-C433 PolarHBondContact O-N 3.17Å; I429-C433 PolarHBondContact O-SG 2.89Å; I429-C433 VanDerWaalsContact O-SG 3.36Å; H430-C433 PolarHBondContact O-N 2.99Å; C433-G435 VanDerWaalsContact C-N 3.34Å; C433-G435 PolarHBondContact O-N 3.46Å; C433-T436 PolarHBondContact O-N 3.39Å; C433-A437 WeakPolarHBondContact O-CB 3.46Å; C433-A437 PolarHBondContact O-N 3.07Å |
| 434 | S | 93.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.4 | -47.9 | 177.2 | 159.9 | 0 | 0 | 0 | 0 | 111.2 | K30 D320 H430 T436 A437 M438 | K30-S434 PolarHBondContact NZ-OG 3.34Å; D320-S434 WeakPolarHBondContact OD1-CB 3.45Å; H430-S434 VanDerWaalsContact O-CB 3.26Å; H430-S434 WeakPolarHBondContact O-CB 3.5Å; H430-S434 PolarHBondContact O-N 3.44Å; S434-T436 PolarHBondContact O-N 3.41Å; S434-A437 PolarHBondContact O-N 3.01Å; S434-M438 WeakPolarHBondContact O-CB 3.16Å; S434-M438 VanDerWaalsContact O-CG 3.29Å; S434-M438 WeakPolarHBondContact O-CG 3.36Å; S434-M438 PolarHBondContact O-N 3.41Å |
| 435 | G | 90.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.2 | -37.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113.8 | D352 T355 G431 C433 T439 | D352-G435 WeakPolarHBondContact OD1-CA 3.3Å; D352-G435 PolarHBondContact OD1-N 3.02Å; T355-G435 WeakPolarHBondContact OG1-CA 3.49Å; G431-G435 PolarHBondContact O-N 3.44Å; C433-G435 VanDerWaalsContact C-N 3.34Å; C433-G435 PolarHBondContact O-N 3.46Å; G435-T439 PolarHBondContact O-N 2.95Å; G435-T439 VanDerWaalsContact O-N 3.15Å; G435-T439 PolarHBondContact O-OG1 3.32Å |
| 436 | T | 91.4 | Very high | 91.3 | Very high | 8 Ų | 8 | 20 Ų | 20 | 5% | 0.049 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.7 | -45.5 | 173.8 | -55 | 0 | 0 | 0 | 0 | 111.5 | V359 V379 I432 C433 S434 M438 T439 Q440 | V359-T436 HydrophobicContact CG1-CG2 4Å; V359-T436 HydrophobicContact CG2-CG2 4.41Å; V379-T436 HydrophobicContact CG2-CG2 3.48Å; V379-T436 VanDerWaalsContact CG2-CG2 3.48Å; I432-T436 WeakPolarHBondContact O-CB 3.5Å; I432-T436 PolarHBondContact O-N 3.37Å; I432-T436 PolarHBondContact O-OG1 2.74Å; C433-T436 PolarHBondContact O-N 3.39Å; S434-T436 PolarHBondContact O-N 3.41Å; T436-M438 VanDerWaalsContact C-N 3.34Å; T436-M438 PolarHBondContact O-N 3.5Å; T436-T439 PolarHBondContact O-N 3.49Å; T436-T439 PolarHBondContact O-OG1 3.44Å; T436-Q440 HydrophobicContact CG2-CG 4.09Å; T436-Q440 WeakPolarHBondContact O-CB 3.44Å; T436-Q440 WeakPolarHBondContact O-CG 3.46Å; T436-Q440 PolarHBondContact O-N 3.44Å |
| 437 | A | 91.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 2% | 0.017 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.9 | -43.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L376 V379 W380 C433 S434 T439 Q440 M441 | L376-A437 HydrophobicContact CD1-CB 4.08Å; V379-A437 HydrophobicContact CG1-CB 4.34Å; W380-A437 HydrophobicContact CH2-CB 3.43Å; W380-A437 VanDerWaalsContact CH2-CB 3.43Å; W380-A437 HydrophobicContact CZ2-CB 3.59Å; W380-A437 HydrophobicContact CZ3-CB 4.01Å; C433-A437 WeakPolarHBondContact O-CB 3.46Å; C433-A437 PolarHBondContact O-N 3.07Å; S434-A437 PolarHBondContact O-N 3.01Å; A437-T439 PolarHBondContact O-N 3.4Å; A437-Q440 PolarHBondContact O-N 3.19Å; A437-M441 WeakPolarHBondContact O-CB 3.5Å; A437-M441 PolarHBondContact O-N 3.14Å |
| 438 | M | 85.5 | Confident | 90.3 | Very high | 60 Ų | 60 | 22.7 Ų | 22.7 | 30% | 0.296 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -62.1 | -40.2 | 177.5 | -75.8 | -70.6 | -76 | 0 | 0 | 112.7 | S434 T436 | S434-M438 WeakPolarHBondContact O-CB 3.16Å; S434-M438 VanDerWaalsContact O-CG 3.29Å; S434-M438 WeakPolarHBondContact O-CG 3.36Å; S434-M438 PolarHBondContact O-N 3.41Å; T436-M438 VanDerWaalsContact C-N 3.34Å; T436-M438 PolarHBondContact O-N 3.5Å |
| 439 | T | 84.4 | Confident | 89.8 | Confident | 33 Ų | 33 | 21.8 Ų | 21.8 | 20% | 0.202 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -72.8 | -39.6 | 177.2 | 50.6 | 0 | 0 | 0 | 0 | 113 | R356 G435 T436 A437 V443 | R356-T439 HydrophobicContact CB-CG2 4.11Å; R356-T439 HydrophobicContact CG-CG2 3.94Å; G435-T439 PolarHBondContact O-N 2.95Å; G435-T439 VanDerWaalsContact O-N 3.15Å; G435-T439 PolarHBondContact O-OG1 3.32Å; T436-T439 PolarHBondContact O-N 3.49Å; T436-T439 PolarHBondContact O-OG1 3.44Å; A437-T439 PolarHBondContact O-N 3.4Å; T439-V443 WeakPolarHBondContact O-CG2 3.37Å |
| 440 | Q | 86.7 | Confident | 89.1 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -78.7 | -21 | -175.2 | -66.1 | -51.5 | -65.6 | 0 | 0 | 113.5 | T363 L375 L376 T436 A437 V442 V443 V444 | T363-Q440 PolarHBondContact OG1-NE2 3.42Å; L375-Q440 HydrophobicContact CD2-CG 4.03Å; L376-Q440 HydrophobicContact CD1-CB 4.33Å; T436-Q440 HydrophobicContact CG2-CG 4.09Å; T436-Q440 WeakPolarHBondContact O-CB 3.44Å; T436-Q440 WeakPolarHBondContact O-CG 3.46Å; T436-Q440 PolarHBondContact O-N 3.44Å; A437-Q440 PolarHBondContact O-N 3.19Å; Q440-V442 PolarHBondContact O-N 2.98Å; Q440-V443 PolarHBondContact O-N 3.47Å; Q440-V444 HydrophobicContact CB-CG2 4.2Å; Q440-V444 WeakPolarHBondContact O-CB 3.25Å; Q440-V444 VanDerWaalsContact O-CG2 3.27Å; Q440-V444 WeakPolarHBondContact O-CG2 3.32Å; Q440-V444 PolarHBondContact O-N 2.92Å |
| 441 | M | 84.4 | Confident | 88.2 | Confident | 18 Ų | 18 | 25 Ų | 25 | 9% | 0.089 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -46.4 | -62.4 | -178.8 | 171.3 | 174.1 | -170.7 | 0 | 0 | 114.3 | Y309 K313 A437 V443 L445 L458 M462 | Y309-M441 WeakPolarHBondContact OH-CG 3.34Å; Y309-M441 PolarHBondContact OH-O 3.42Å; K313-M441 WeakPolarHBondContact CE-SD 3.47Å; K313-M441 PolarHBondContact NZ-SD 3.19Å; A437-M441 WeakPolarHBondContact O-CB 3.5Å; A437-M441 PolarHBondContact O-N 3.14Å; M441-V443 VanDerWaalsContact C-N 3.28Å; M441-V443 PolarHBondContact O-N 3.01Å; M441-L445 WeakPolarHBondContact O-CB 3.19Å; M441-L445 PolarHBondContact O-N 3.4Å; M441-L458 HydrophobicContact CE-CD1 4.19Å; M441-M462 HydrophobicContact CE-CE 2.92Å; M441-M462 HydrophobicContact CE-SD 3.69Å |
| 442 | V | 83.9 | Confident | 87.3 | Confident | 50 Ų | 50 | 30.1 Ų | 30.1 | 30% | 0.303 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -70 | -33 | -176 | 178 | 0 | 0 | 0 | 0 | 110.8 | Q440 C446 L454 L458 | Q440-V442 PolarHBondContact O-N 2.98Å; V442-C446 WeakPolarHBondContact O-CB 3.5Å; V442-C446 PolarHBondContact O-N 3.5Å; V442-L454 HydrophobicContact CG1-CD1 4.32Å; V442-L454 HydrophobicContact CG1-CD2 4.12Å; V442-L458 HydrophobicContact CG2-CD1 4.28Å |
| 443 | V | 84.6 | Confident | 86.6 | Confident | 38 Ų | 38 | 28.1 Ų | 28.1 | 23% | 0.23 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.7 | -46.3 | -175.2 | -170.3 | 0 | 0 | 0 | 0 | 111.2 | R372 T439 Q440 M441 L445 C446 D447 | R372-V443 VanDerWaalsContact CZ-CG1 3.45Å; T439-V443 WeakPolarHBondContact O-CG2 3.37Å; Q440-V443 PolarHBondContact O-N 3.47Å; M441-V443 VanDerWaalsContact C-N 3.28Å; M441-V443 PolarHBondContact O-N 3.01Å; V443-L445 VanDerWaalsContact C-N 3.34Å; V443-L445 PolarHBondContact O-N 3Å; V443-C446 WeakPolarHBondContact O-CB 3.26Å; V443-C446 PolarHBondContact O-N 3.31Å; V443-D447 PolarHBondContact O-N 3.43Å |
| 444 | V | 89.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.5 | -43.8 | 175.5 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | Y309 R372 L376 Q440 C446 D447 W448 | Y309-V444 HydrophobicContact CD2-CG1 3.92Å; Y309-V444 HydrophobicContact CE2-CB 4.24Å; Y309-V444 HydrophobicContact CE2-CG1 3.96Å; R372-V444 VanDerWaalsContact C-CG2 3.5Å; R372-V444 HydrophobicContact CB-CG2 3.81Å; R372-V444 WeakPolarHBondContact O-CG2 3.41Å; L376-V444 HydrophobicContact CB-CG2 4.27Å; L376-V444 HydrophobicContact CD2-CB 4.44Å; L376-V444 HydrophobicContact CD2-CG1 4.47Å; L376-V444 HydrophobicContact CD2-CG2 4.23Å; Q440-V444 HydrophobicContact CB-CG2 4.2Å; Q440-V444 WeakPolarHBondContact O-CB 3.25Å; Q440-V444 VanDerWaalsContact O-CG2 3.27Å; Q440-V444 WeakPolarHBondContact O-CG2 3.32Å; Q440-V444 PolarHBondContact O-N 2.92Å; V444-C446 VanDerWaalsContact C-N 3.3Å; V444-C446 PolarHBondContact O-N 2.99Å; V444-D447 PolarHBondContact O-N 3.09Å; V444-W448 HydrophobicContact CG1-CD2 4.09Å; V444-W448 HydrophobicContact CG1-CG 4.44Å; V444-W448 HydrophobicContact CG1-CZ2 4.05Å; V444-W448 PolarHBondContact O-N 3.39Å |
| 445 | L | 89.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.6 | -40.4 | 177.2 | -175.7 | 57.1 | 0 | 0 | 0 | 112 | L306 Y309 M441 V443 W448 V449 L454 L458 | L306-L445 HydrophobicContact CD1-CD1 3.85Å; Y309-L445 HydrophobicContact CD1-CD1 3.65Å; Y309-L445 HydrophobicContact CE1-CB 4.02Å; Y309-L445 HydrophobicContact CE1-CD1 3.74Å; Y309-L445 HydrophobicContact CE1-CD2 3.99Å; Y309-L445 HydrophobicContact CE1-CG 4.13Å; Y309-L445 HydrophobicContact CE2-CB 4.23Å; Y309-L445 HydrophobicContact CG-CD1 4.19Å; M441-L445 WeakPolarHBondContact O-CB 3.19Å; M441-L445 PolarHBondContact O-N 3.4Å; V443-L445 VanDerWaalsContact C-N 3.34Å; V443-L445 PolarHBondContact O-N 3Å; L445-W448 PolarHBondContact O-N 3.17Å; L445-V449 HydrophobicContact CD1-CB 4.46Å; L445-V449 HydrophobicContact CD1-CG2 3.81Å; L445-V449 WeakPolarHBondContact O-CB 3.23Å; L445-V449 PolarHBondContact O-N 3.17Å; L445-L454 HydrophobicContact CB-CD1 4Å; L445-L454 HydrophobicContact CD2-CD1 3.93Å; L445-L454 HydrophobicContact CG-CD1 3.75Å; L445-L458 HydrophobicContact CD2-CB 3.92Å; L445-L458 HydrophobicContact CD2-CD1 4.01Å |
| 446 | C | 85.8 | Confident | 84.6 | Confident | 36 Ų | 36 | 36.2 Ų | 36.2 | 24% | 0.243 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.6 | -44.2 | 175.7 | -168.1 | 0 | 0 | 0 | 0 | 111.7 | V442 V443 V444 W448 G450 L454 | V442-C446 WeakPolarHBondContact O-CB 3.5Å; V442-C446 PolarHBondContact O-N 3.5Å; V443-C446 WeakPolarHBondContact O-CB 3.26Å; V443-C446 PolarHBondContact O-N 3.31Å; V444-C446 VanDerWaalsContact C-N 3.3Å; V444-C446 PolarHBondContact O-N 2.99Å; C446-W448 VanDerWaalsContact C-N 3.28Å; C446-W448 PolarHBondContact O-N 3.15Å; C446-G450 WeakPolarHBondContact O-CA 3.49Å; C446-G450 PolarHBondContact O-N 3.46Å; C446-L454 HydrophobicContact CB-CD1 4.03Å; C446-L454 HydrophobicContact CB-CD2 3.95Å |
| 447 | D | 86.2 | Confident | 84.4 | Confident | 51 Ų | 51 | 36 Ų | 36 | 27% | 0.273 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.2 | -33 | 179 | -76.9 | 5 | 0 | 0 | 0 | 112.4 | R372 V443 V444 | R372-D447 WeakPolarHBondContact CD-OD2 3.26Å; R372-D447 IonicContact CZ-OD1 2.58Å; R372-D447 IonicContact CZ-OD2 3.96Å; R372-D447 IonicContact NE-OD2 3.15Å; R372-D447 VanDerWaalsContact NH1-CG 3.35Å; R372-D447 IonicContact NH1-OD1 2.8Å; R372-D447 PolarHBondContact NH1-OD1 3Å; R372-D447 IonicContact NH1-OD2 2.8Å; R372-D447 PolarHBondContact NH1-OD2 3.49Å; R372-D447 VanDerWaalsContact NH1-OD2 3.15Å; V443-D447 PolarHBondContact O-N 3.43Å; V444-D447 PolarHBondContact O-N 3.09Å |
| 448 | W | 89 | Confident | 84.1 | Confident | 12 Ų | 12 | 37.6 Ų | 37.6 | 5% | 0.045 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -87.9 | -35.6 | -175.7 | -71.7 | 14.2 | 0 | 0 | 0 | 113.6 | L305 V308 Y309 V444 L445 C446 L504 E507 | L305-W448 HydrophobicContact CB-CB 4.28Å; L305-W448 HydrophobicContact CB-CD2 4.43Å; L305-W448 HydrophobicContact CB-CE3 4Å; L305-W448 HydrophobicContact CD1-CB 4.45Å; L305-W448 HydrophobicContact CD2-CE3 4.4Å; V308-W448 HydrophobicContact CB-CZ3 4.41Å; V308-W448 HydrophobicContact CG1-CH2 4.33Å; V308-W448 HydrophobicContact CG1-CZ3 4.1Å; Y309-W448 HydrophobicContact CD2-CE3 4.35Å; Y309-W448 HydrophobicContact CD2-CZ3 4.35Å; Y309-W448 HydrophobicContact CG-CE3 4.43Å; Y309-W448 HydrophobicContact CG-CZ3 4.5Å; V444-W448 HydrophobicContact CG1-CD2 4.09Å; V444-W448 HydrophobicContact CG1-CG 4.44Å; V444-W448 HydrophobicContact CG1-CZ2 4.05Å; V444-W448 PolarHBondContact O-N 3.39Å; L445-W448 PolarHBondContact O-N 3.17Å; C446-W448 VanDerWaalsContact C-N 3.28Å; C446-W448 PolarHBondContact O-N 3.15Å; W448-L504 HydrophobicContact CH2-CD2 3.83Å; W448-L504 HydrophobicContact CZ3-CD2 4.25Å; W448-E507 HydrophobicContact CH2-CB 4.07Å; W448-E507 HydrophobicContact CZ2-CB 3.85Å; W448-E507 VanDerWaalsContact CZ2-CD 3.44Å; W448-E507 HydrophobicContact CZ2-CG 3.96Å; W448-E507 WeakPolarHBondContact CZ2-OE2 3.42Å; W448-E507 PolarHBondContact NE1-OE1 2.89Å |
| 449 | V | 87.2 | Confident | 84.1 | Confident | 7 Ų | 7 | 36.4 Ų | 36.4 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -109.3 | -16.4 | -173 | -178.5 | 0 | 0 | 0 | 0 | 113.1 | T302 L306 L445 Q453 S457 | T302-V449 HydrophobicContact CG2-CB 4.12Å; T302-V449 HydrophobicContact CG2-CG1 3.77Å; T302-V449 HydrophobicContact CG2-CG2 4.2Å; L306-V449 HydrophobicContact CB-CG2 4.01Å; L306-V449 HydrophobicContact CD1-CG2 4.13Å; L445-V449 HydrophobicContact CD1-CB 4.46Å; L445-V449 HydrophobicContact CD1-CG2 3.81Å; L445-V449 WeakPolarHBondContact O-CB 3.23Å; L445-V449 PolarHBondContact O-N 3.17Å; V449-Q453 HydrophobicContact CG1-CB 3.44Å; V449-Q453 VanDerWaalsContact CG1-CB 3.44Å; V449-Q453 HydrophobicContact CG1-CG 4.46Å; V449-S457 VanDerWaalsContact CG1-OG 3.25Å; V449-S457 WeakPolarHBondContact CG1-OG 3.37Å |
| 450 | G | 82.1 | Confident | 84.3 | Confident | 28 Ų | 28 | 36.9 Ų | 36.9 | 29% | 0.289 | 24% | 0.236 | S | C | . | . | trans | 83.8 | 154.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C446 S452 Q453 L454 | C446-G450 WeakPolarHBondContact O-CA 3.49Å; C446-G450 PolarHBondContact O-N 3.46Å; G450-S452 VanDerWaalsContact C-N 3.26Å; G450-S452 PolarHBondContact O-N 3.21Å; G450-Q453 PolarHBondContact O-N 3.46Å; G450-L454 PolarHBondContact O-N 3.46Å | ||
| 451 | S | 78.9 | Confident | 84.5 | Confident | 98 Ų | 98 | 36.8 Ų | 36.8 | 69% | 0.685 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -30.3 | -176.3 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | Q453 L454 | S451-Q453 VanDerWaalsContact C-N 3.32Å; S451-Q453 PolarHBondContact O-N 3.42Å; S451-L454 PolarHBondContact O-N 3Å |
| 452 | S | 77.7 | Confident | 84.7 | Confident | 107 Ų | 107 | 36.3 Ų | 36.3 | 75% | 0.748 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -29 | -178.4 | 61 | 0 | 0 | 0 | 0 | 113.9 | G450 | G450-S452 VanDerWaalsContact C-N 3.26Å; G450-S452 PolarHBondContact O-N 3.21Å |
| 453 | Q | 81 | Confident | 84.9 | Confident | 35 Ų | 35 | 36.1 Ų | 36.1 | 16% | 0.164 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -0.5 | -178.6 | -78.6 | 165.3 | 68.5 | 0 | 0 | 113 | V449 G450 S451 A455 Q456 S457 | V449-Q453 HydrophobicContact CG1-CB 3.44Å; V449-Q453 VanDerWaalsContact CG1-CB 3.44Å; V449-Q453 HydrophobicContact CG1-CG 4.46Å; G450-Q453 PolarHBondContact O-N 3.46Å; S451-Q453 VanDerWaalsContact C-N 3.32Å; S451-Q453 PolarHBondContact O-N 3.42Å; Q453-A455 PolarHBondContact O-N 3.18Å; Q453-Q456 PolarHBondContact O-N 2.8Å; Q453-S457 VanDerWaalsContact O-CB 3.32Å; Q453-S457 WeakPolarHBondContact O-CB 3.43Å; Q453-S457 PolarHBondContact O-N 3.04Å; Q453-S457 PolarHBondContact O-OG 3.02Å |
| 454 | L | 79.5 | Confident | 85.2 | Confident | 34 Ų | 34 | 37.8 Ų | 37.8 | 18% | 0.178 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.7 | -49.5 | -173.9 | 177.5 | 59.8 | 0 | 0 | 0 | 112.2 | V442 L445 C446 G450 S451 Q456 S457 L458 | V442-L454 HydrophobicContact CG1-CD1 4.32Å; V442-L454 HydrophobicContact CG1-CD2 4.12Å; L445-L454 HydrophobicContact CB-CD1 4Å; L445-L454 HydrophobicContact CD2-CD1 3.93Å; L445-L454 HydrophobicContact CG-CD1 3.75Å; C446-L454 HydrophobicContact CB-CD1 4.03Å; C446-L454 HydrophobicContact CB-CD2 3.95Å; G450-L454 PolarHBondContact O-N 3.46Å; S451-L454 PolarHBondContact O-N 3Å; L454-Q456 PolarHBondContact O-N 3.42Å; L454-S457 PolarHBondContact O-N 3.15Å; L454-L458 WeakPolarHBondContact O-CB 3.35Å; L454-L458 PolarHBondContact O-N 3.02Å |
| 455 | A | 76.9 | Confident | 85.3 | Confident | 80 Ų | 80 | 37.8 Ų | 37.8 | 66% | 0.661 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.2 | -45.2 | -176 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q453 A459 | Q453-A455 PolarHBondContact O-N 3.18Å; A455-A459 PolarHBondContact O-N 2.78Å; A455-A459 VanDerWaalsContact O-N 3.07Å |
| 456 | Q | 80.3 | Confident | 85.3 | Confident | 63 Ų | 63 | 37.8 Ų | 37.8 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.4 | -42.6 | 179.1 | -177 | 173.2 | 11.6 | 0 | 0 | 112.1 | F255 L259 Q453 L454 L458 A459 I460 | F255-Q456 HydrophobicContact CE1-CG 4.4Å; F255-Q456 HydrophobicContact CZ-CG 4.2Å; L259-Q456 HydrophobicContact CD1-CG 4.49Å; Q453-Q456 PolarHBondContact O-N 2.8Å; L454-Q456 PolarHBondContact O-N 3.42Å; Q456-L458 VanDerWaalsContact C-N 3.28Å; Q456-L458 PolarHBondContact O-N 3.26Å; Q456-A459 PolarHBondContact O-N 3.32Å; Q456-I460 HydrophobicContact CG-CD1 4.1Å; Q456-I460 WeakPolarHBondContact O-CG1 3.33Å; Q456-I460 PolarHBondContact O-N 2.89Å |
| 457 | S | 87.5 | Confident | 85.6 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 3% | 0.028 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 178.2 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | V449 Q453 L454 T461 | V449-S457 VanDerWaalsContact CG1-OG 3.25Å; V449-S457 WeakPolarHBondContact CG1-OG 3.37Å; Q453-S457 VanDerWaalsContact O-CB 3.32Å; Q453-S457 WeakPolarHBondContact O-CB 3.43Å; Q453-S457 PolarHBondContact O-N 3.04Å; Q453-S457 PolarHBondContact O-OG 3.02Å; L454-S457 PolarHBondContact O-N 3.15Å; S457-T461 WeakPolarHBondContact O-CB 3.39Å; S457-T461 PolarHBondContact O-N 3.37Å; S457-T461 PolarHBondContact O-OG1 2.8Å |
| 458 | L | 85.6 | Confident | 85.9 | Confident | 35 Ų | 35 | 41.9 Ų | 41.9 | 18% | 0.183 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.1 | -46.8 | 175.1 | -174.4 | 68.7 | 0 | 0 | 0 | 110.4 | M441 V442 L445 L454 Q456 T461 M462 | M441-L458 HydrophobicContact CE-CD1 4.19Å; V442-L458 HydrophobicContact CG2-CD1 4.28Å; L445-L458 HydrophobicContact CD2-CB 3.92Å; L445-L458 HydrophobicContact CD2-CD1 4.01Å; L454-L458 WeakPolarHBondContact O-CB 3.35Å; L454-L458 PolarHBondContact O-N 3.02Å; Q456-L458 VanDerWaalsContact C-N 3.28Å; Q456-L458 PolarHBondContact O-N 3.26Å; L458-T461 WeakPolarHBondContact O-CB 3.19Å; L458-T461 PolarHBondContact O-N 3.48Å; L458-M462 HydrophobicContact CD1-CE 3.81Å; L458-M462 HydrophobicContact CG-CE 4.44Å; L458-M462 WeakPolarHBondContact O-CG 3.35Å; L458-M462 PolarHBondContact O-N 3.43Å |
| 459 | A | 85.9 | Confident | 86.2 | Confident | 34 Ų | 34 | 41.3 Ų | 41.3 | 28% | 0.281 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A455 Q456 T461 M462 V463 | A455-A459 PolarHBondContact O-N 2.78Å; A455-A459 VanDerWaalsContact O-N 3.07Å; Q456-A459 PolarHBondContact O-N 3.32Å; A459-T461 VanDerWaalsContact C-N 3.33Å; A459-T461 PolarHBondContact O-N 3.16Å; A459-M462 PolarHBondContact O-N 3.29Å; A459-V463 WeakPolarHBondContact O-CG2 3.22Å; A459-V463 PolarHBondContact O-N 3.41Å |
| 460 | I | 87.7 | Confident | 86.5 | Confident | 43 Ų | 43 | 41.5 Ų | 41.5 | 22% | 0.221 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 176.2 | -65.7 | 165.9 | 0 | 0 | 0 | 110.4 | F255 I310 Q456 M462 V463 I464 | F255-I460 HydrophobicContact CE1-CD1 3.94Å; F255-I460 HydrophobicContact CE1-CG1 4.29Å; I310-I460 HydrophobicContact CD1-CG2 4.11Å; Q456-I460 HydrophobicContact CG-CD1 4.1Å; Q456-I460 WeakPolarHBondContact O-CG1 3.33Å; Q456-I460 PolarHBondContact O-N 2.89Å; I460-M462 VanDerWaalsContact C-N 3.3Å; I460-M462 PolarHBondContact O-N 3.32Å; I460-V463 PolarHBondContact O-N 2.84Å; I460-I464 HydrophobicContact CG2-CD1 3.74Å; I460-I464 WeakPolarHBondContact O-CG1 3.47Å; I460-I464 PolarHBondContact O-N 2.79Å; I460-I464 VanDerWaalsContact O-N 3.08Å |
| 461 | T | 90.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.6 | -43.8 | 177.5 | -54.8 | 0 | 0 | 0 | 0 | 110.7 | Y309 I310 K313 S457 L458 A459 V463 I464 L465 | Y309-T461 HydrophobicContact CD1-CG2 4.37Å; Y309-T461 HydrophobicContact CE1-CG2 3.82Å; I310-T461 HydrophobicContact CG1-CG2 4.35Å; K313-T461 HydrophobicContact CG-CG2 4.25Å; S457-T461 WeakPolarHBondContact O-CB 3.39Å; S457-T461 PolarHBondContact O-N 3.37Å; S457-T461 PolarHBondContact O-OG1 2.8Å; L458-T461 WeakPolarHBondContact O-CB 3.19Å; L458-T461 PolarHBondContact O-N 3.48Å; A459-T461 VanDerWaalsContact C-N 3.33Å; A459-T461 PolarHBondContact O-N 3.16Å; T461-V463 PolarHBondContact O-N 2.99Å; T461-I464 PolarHBondContact O-N 3.33Å; T461-L465 WeakPolarHBondContact O-CB 3.42Å; T461-L465 PolarHBondContact O-N 3.11Å |
| 462 | M | 89.3 | Confident | 87.9 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 3% | 0.034 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.2 | -43.8 | -177.6 | -71.8 | -43.2 | 92.5 | 0 | 0 | 110.6 | Y62 F121 M441 L458 A459 I460 L465 G466 | Y62-M462 VanDerWaalsContact CB-O 3.29Å; Y62-M462 WeakPolarHBondContact CB-O 3.43Å; Y62-M462 HydrophobicContact CD1-CB 4.45Å; Y62-M462 HydrophobicContact CD1-CG 4.38Å; Y62-M462 HydrophobicContact CD1-SD 3.78Å; Y62-M462 HydrophobicContact CE1-SD 3.93Å; F121-M462 HydrophobicContact CE1-CG 4.43Å; F121-M462 HydrophobicContact CZ-CG 4.18Å; F121-M462 HydrophobicContact CZ-SD 4.46Å; M441-M462 HydrophobicContact CE-CE 2.92Å; M441-M462 HydrophobicContact CE-SD 3.69Å; L458-M462 HydrophobicContact CD1-CE 3.81Å; L458-M462 HydrophobicContact CG-CE 4.44Å; L458-M462 WeakPolarHBondContact O-CG 3.35Å; L458-M462 PolarHBondContact O-N 3.43Å; A459-M462 PolarHBondContact O-N 3.29Å; I460-M462 VanDerWaalsContact C-N 3.3Å; I460-M462 PolarHBondContact O-N 3.32Å; M462-L465 PolarHBondContact O-N 3.23Å; M462-L465 HydrophobicContact SD-CD2 4.47Å; M462-G466 PolarHBondContact O-N 3.43Å |
| 463 | V | 88.4 | Confident | 88.8 | Confident | 46 Ų | 46 | 34.6 Ų | 34.6 | 28% | 0.279 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.6 | -47.5 | 179.8 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | A459 I460 T461 L465 G466 F467 | A459-V463 WeakPolarHBondContact O-CG2 3.22Å; A459-V463 PolarHBondContact O-N 3.41Å; I460-V463 PolarHBondContact O-N 2.84Å; T461-V463 PolarHBondContact O-N 2.99Å; V463-L465 PolarHBondContact O-N 3.14Å; V463-G466 PolarHBondContact O-N 2.82Å; V463-F467 HydrophobicContact CG1-CD2 3.98Å; V463-F467 HydrophobicContact CG1-CE2 3.65Å; V463-F467 WeakPolarHBondContact O-CD2 3.21Å; V463-F467 PolarHBondContact O-N 2.95Å |
| 464 | I | 90.7 | Very high | 89.6 | Confident | 74 Ų | 74 | 36.1 Ų | 36.1 | 38% | 0.379 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.2 | -44.9 | 179 | -66.2 | 169.3 | 0 | 0 | 0 | 110.8 | I310 I460 T461 G466 F467 A468 | I310-I464 HydrophobicContact CD1-CD1 4.13Å; I310-I464 HydrophobicContact CG2-CB 4.16Å; I310-I464 HydrophobicContact CG2-CD1 3.78Å; I310-I464 HydrophobicContact CG2-CG2 3.75Å; I460-I464 HydrophobicContact CG2-CD1 3.74Å; I460-I464 WeakPolarHBondContact O-CG1 3.47Å; I460-I464 PolarHBondContact O-N 2.79Å; I460-I464 VanDerWaalsContact O-N 3.08Å; T461-I464 PolarHBondContact O-N 3.33Å; I464-G466 VanDerWaalsContact C-N 3.33Å; I464-G466 PolarHBondContact O-N 2.93Å; I464-F467 PolarHBondContact O-N 3.4Å; I464-A468 PolarHBondContact O-N 3.24Å |
| 465 | L | 91.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.3 | -47.7 | 174.5 | 172.9 | 65.9 | 0 | 0 | 0 | 111.5 | Y62 T314 D317 T461 M462 V463 F467 A468 I469 | Y62-L465 HydrophobicContact CD2-CD2 3.86Å; Y62-L465 HydrophobicContact CD2-CG 4.07Å; Y62-L465 HydrophobicContact CE2-CD2 3.59Å; Y62-L465 HydrophobicContact CE2-CG 4.1Å; Y62-L465 HydrophobicContact CG-CD2 4.46Å; T314-L465 HydrophobicContact CG2-CD1 4.47Å; D317-L465 HydrophobicContact CB-CD1 3.44Å; D317-L465 VanDerWaalsContact CB-CD1 3.44Å; D317-L465 HydrophobicContact CB-CD2 4.41Å; D317-L465 WeakPolarHBondContact OD2-CD1 3.41Å; D317-L465 WeakPolarHBondContact OD2-CD2 3.14Å; T461-L465 WeakPolarHBondContact O-CB 3.42Å; T461-L465 PolarHBondContact O-N 3.11Å; M462-L465 PolarHBondContact O-N 3.23Å; M462-L465 HydrophobicContact SD-CD2 4.47Å; V463-L465 PolarHBondContact O-N 3.14Å; L465-F467 VanDerWaalsContact C-N 3.32Å; L465-F467 PolarHBondContact O-N 3.3Å; L465-A468 PolarHBondContact O-N 2.88Å; L465-I469 HydrophobicContact CD1-CD1 3.73Å; L465-I469 HydrophobicContact CD1-CG1 3.84Å; L465-I469 HydrophobicContact CD2-CD1 4.28Å; L465-I469 HydrophobicContact CG-CD1 3.7Å; L465-I469 HydrophobicContact CG-CG1 4.21Å; L465-I469 WeakPolarHBondContact O-CG1 3.49Å; L465-I469 PolarHBondContact O-N 3.4Å |
| 466 | G | 90.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.1 | -48.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T59 M462 V463 I464 A468 I469 | T59-G466 WeakPolarHBondContact CB-O 3.44Å; T59-G466 VanDerWaalsContact CG2-O 3.22Å; T59-G466 WeakPolarHBondContact CG2-O 3.46Å; T59-G466 PolarHBondContact OG1-O 3.37Å; M462-G466 PolarHBondContact O-N 3.43Å; V463-G466 PolarHBondContact O-N 2.82Å; I464-G466 VanDerWaalsContact C-N 3.33Å; I464-G466 PolarHBondContact O-N 2.93Å; G466-A468 VanDerWaalsContact C-N 3.25Å; G466-A468 PolarHBondContact O-N 3.22Å; G466-I469 PolarHBondContact O-N 2.86Å |
| 467 | F | 91 | Very high | 92.1 | Very high | 141 Ų | 141 | 31.4 Ų | 31.4 | 62% | 0.618 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -64.2 | -26 | 178.7 | -76 | -66 | 0 | 0 | 0 | 114.5 | V463 I464 L465 P471 | V463-F467 HydrophobicContact CG1-CD2 3.98Å; V463-F467 HydrophobicContact CG1-CE2 3.65Å; V463-F467 WeakPolarHBondContact O-CD2 3.21Å; V463-F467 PolarHBondContact O-N 2.95Å; I464-F467 PolarHBondContact O-N 3.4Å; L465-F467 VanDerWaalsContact C-N 3.32Å; L465-F467 PolarHBondContact O-N 3.3Å; F467-P471 VanDerWaalsContact O-CD 3.24Å; F467-P471 WeakPolarHBondContact O-CD 3.33Å; F467-P471 WeakPolarHBondContact O-CG 3.38Å |
| 468 | A | 93.5 | Very high | 92.6 | Very high | 31 Ų | 31 | 36.3 Ų | 36.3 | 26% | 0.256 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -86.7 | -30.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T314 V318 I464 L465 G466 G472 | T314-A468 HydrophobicContact CG2-CB 3.28Å; V318-A468 HydrophobicContact CG2-CB 4.29Å; I464-A468 PolarHBondContact O-N 3.24Å; L465-A468 PolarHBondContact O-N 2.88Å; G466-A468 VanDerWaalsContact C-N 3.25Å; G466-A468 PolarHBondContact O-N 3.22Å; A468-G472 PolarHBondContact O-N 3.35Å; A468-G472 VanDerWaalsContact O-N 3.17Å |
| 469 | I | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.1 | -53 | -174.5 | -71.9 | 170.8 | 0 | 0 | 0 | 111.9 | Y62 V318 L465 G466 G472 Q473 | Y62-I469 HydrophobicContact CD2-CD1 3.84Å; Y62-I469 HydrophobicContact CE2-CD1 3.5Å; Y62-I469 VanDerWaalsContact CE2-CD1 3.5Å; V318-I469 HydrophobicContact CG2-CG1 4.15Å; L465-I469 HydrophobicContact CD1-CD1 3.73Å; L465-I469 HydrophobicContact CD1-CG1 3.84Å; L465-I469 HydrophobicContact CD2-CD1 4.28Å; L465-I469 HydrophobicContact CG-CD1 3.7Å; L465-I469 HydrophobicContact CG-CG1 4.21Å; L465-I469 WeakPolarHBondContact O-CG1 3.49Å; L465-I469 PolarHBondContact O-N 3.4Å; G466-I469 PolarHBondContact O-N 2.86Å; I469-G472 WeakPolarHBondContact O-CA 3.37Å; I469-G472 PolarHBondContact O-N 2.86Å; I469-G472 VanDerWaalsContact O-N 3.11Å; I469-Q473 HydrophobicContact CG2-CG 3.91Å; I469-Q473 WeakPolarHBondContact O-CG 3.09Å; I469-Q473 PolarHBondContact O-N 3.36Å |
| 470 | S | 94.3 | Very high | 93.7 | Very high | 11 Ų | 11 | 34.3 Ų | 34.3 | 8% | 0.077 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.8 | -48.1 | -174.1 | 170.4 | 0 | 0 | 0 | 0 | 113.7 | L52 T59 G472 Q473 F474 | L52-S470 WeakPolarHBondContact CD1-OG 3.39Å; T59-S470 WeakPolarHBondContact OG1-CB 3.37Å; T59-S470 PolarHBondContact OG1-N 3.3Å; S470-G472 VanDerWaalsContact C-N 3.3Å; S470-G472 PolarHBondContact O-N 3.29Å; S470-Q473 PolarHBondContact O-N 3Å; S470-F474 PolarHBondContact O-N 3.28Å |
| 471 | P | 95.4 | Very high | 94.1 | Very high | 77 Ų | 77 | 35.4 Ų | 35.4 | 50% | 0.5 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.9 | -39.7 | 172.6 | -24 | 33.9 | 0 | 0 | 0 | 112.9 | F467 F474 L475 | F467-P471 VanDerWaalsContact O-CD 3.24Å; F467-P471 WeakPolarHBondContact O-CD 3.33Å; F467-P471 WeakPolarHBondContact O-CG 3.38Å; P471-F474 PolarHBondContact O-N 3.47Å; P471-L475 WeakPolarHBondContact O-CB 3.39Å; P471-L475 PolarHBondContact O-N 2.9Å |
| 472 | G | 95.1 | Very high | 94.4 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 12% | 0.124 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.1 | -45.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | A468 I469 S470 L475 M476 | A468-G472 PolarHBondContact O-N 3.35Å; A468-G472 VanDerWaalsContact O-N 3.17Å; I469-G472 WeakPolarHBondContact O-CA 3.37Å; I469-G472 PolarHBondContact O-N 2.86Å; I469-G472 VanDerWaalsContact O-N 3.11Å; S470-G472 VanDerWaalsContact C-N 3.3Å; S470-G472 PolarHBondContact O-N 3.29Å; G472-L475 WeakPolarHBondContact O-CB 3.23Å; G472-L475 PolarHBondContact O-N 3.19Å; G472-M476 WeakPolarHBondContact O-CG 3.45Å; G472-M476 PolarHBondContact O-N 3.04Å |
| 473 | Q | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.1 | -43.4 | 178.2 | -58.6 | -42.8 | -46.9 | 0 | 0 | 111.8 | F51 V318 V321 S322 F325 I469 S470 L475 M476 G477 | F51-Q473 HydrophobicContact CB-CB 4.37Å; F51-Q473 VanDerWaalsContact CB-O 3.29Å; F51-Q473 WeakPolarHBondContact CB-O 3.35Å; F51-Q473 WeakPolarHBondContact CD1-O 3.22Å; F51-Q473 WeakPolarHBondContact O-CB 3.31Å; V318-Q473 PolarHBondContact O-NE2 3.07Å; V321-Q473 HydrophobicContact CG1-CG 4.27Å; S322-Q473 VanDerWaalsContact CA-OE1 3.23Å; S322-Q473 PolarHBondContact OG-NE2 2.97Å; S322-Q473 PolarHBondContact OG-OE1 2.8Å; F325-Q473 HydrophobicContact CD2-CG 4.47Å; F325-Q473 HydrophobicContact CE2-CG 4.22Å; I469-Q473 HydrophobicContact CG2-CG 3.91Å; I469-Q473 WeakPolarHBondContact O-CG 3.09Å; I469-Q473 PolarHBondContact O-N 3.36Å; S470-Q473 PolarHBondContact O-N 3Å; Q473-L475 VanDerWaalsContact C-N 3.27Å; Q473-L475 PolarHBondContact O-N 3.34Å; Q473-M476 PolarHBondContact O-N 3.28Å; Q473-M476 VanDerWaalsContact O-N 3.11Å; Q473-G477 PolarHBondContact O-N 3.22Å; Q473-G477 VanDerWaalsContact O-N 3.15Å |
| 474 | F | 97 | Very high | 94.9 | Very high | 66 Ų | 66 | 47.9 Ų | 47.9 | 29% | 0.289 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.3 | -43.4 | 174.9 | 175 | -97.1 | 0 | 0 | 0 | 111.8 | A48 Y49 L52 S470 P471 M476 G477 F478 | A48-F474 HydrophobicContact CB-CD2 4.08Å; A48-F474 HydrophobicContact CB-CE2 3.81Å; A48-F474 HydrophobicContact CB-CZ 4.45Å; A48-F474 WeakPolarHBondContact O-CD2 3.32Å; Y49-F474 HydrophobicContact CD1-CE2 4.49Å; Y49-F474 HydrophobicContact CE1-CE2 4.44Å; L52-F474 HydrophobicContact CB-CB 4.18Å; L52-F474 HydrophobicContact CB-CD2 3.96Å; L52-F474 HydrophobicContact CD1-CB 3.95Å; L52-F474 HydrophobicContact CD1-CD2 4.41Å; L52-F474 HydrophobicContact CD1-CG 4.44Å; L52-F474 HydrophobicContact CD2-CD2 4.4Å; L52-F474 HydrophobicContact CG-CD2 4.5Å; S470-F474 PolarHBondContact O-N 3.28Å; P471-F474 PolarHBondContact O-N 3.47Å; F474-M476 VanDerWaalsContact C-N 3.3Å; F474-M476 PolarHBondContact O-N 3.42Å; F474-G477 PolarHBondContact O-N 3.46Å; F474-F478 HydrophobicContact CE1-CB 4.35Å; F474-F478 HydrophobicContact CZ-CD2 4.49Å; F474-F478 WeakPolarHBondContact O-CB 3.34Å; F474-F478 PolarHBondContact O-N 2.98Å |
| 475 | L | 96.9 | Very high | 95.1 | Very high | 78 Ų | 78 | 45.7 Ų | 45.7 | 41% | 0.408 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.1 | -43.5 | 176.6 | 177.2 | 64.1 | 0 | 0 | 0 | 111.7 | P471 G472 Q473 F478 V479 | P471-L475 WeakPolarHBondContact O-CB 3.39Å; P471-L475 PolarHBondContact O-N 2.9Å; G472-L475 WeakPolarHBondContact O-CB 3.23Å; G472-L475 PolarHBondContact O-N 3.19Å; Q473-L475 VanDerWaalsContact C-N 3.27Å; Q473-L475 PolarHBondContact O-N 3.34Å; L475-F478 PolarHBondContact O-N 2.99Å; L475-V479 HydrophobicContact CD1-CG2 4.08Å; L475-V479 HydrophobicContact CG-CG2 4.45Å; L475-V479 VanDerWaalsContact O-CG2 3.29Å; L475-V479 WeakPolarHBondContact O-CG2 3.41Å; L475-V479 PolarHBondContact O-N 3.33Å |
| 476 | M | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 180 | -62.5 | -47.7 | 162.3 | 0 | 0 | 112.8 | F51 S322 I326 G472 Q473 F474 A480 S489 I492 I496 | F51-M476 HydrophobicContact CD1-CB 4.09Å; F51-M476 HydrophobicContact CE1-CB 4.14Å; S322-M476 WeakPolarHBondContact OG-CG 3.47Å; I326-M476 HydrophobicContact CD1-CB 4.17Å; I326-M476 HydrophobicContact CD1-CG 4.39Å; G472-M476 WeakPolarHBondContact O-CG 3.45Å; G472-M476 PolarHBondContact O-N 3.04Å; Q473-M476 PolarHBondContact O-N 3.28Å; Q473-M476 VanDerWaalsContact O-N 3.11Å; F474-M476 VanDerWaalsContact C-N 3.3Å; F474-M476 PolarHBondContact O-N 3.42Å; M476-A480 PolarHBondContact O-N 3.36Å; M476-A480 VanDerWaalsContact O-N 3.17Å; M476-S489 PolarHBondContact O-OG 3.49Å; M476-I492 HydrophobicContact CE-CB 4.26Å; M476-I492 HydrophobicContact CE-CG2 3.56Å; M476-I492 HydrophobicContact SD-CB 4.19Å; M476-I492 HydrophobicContact SD-CG2 4.03Å; M476-I496 HydrophobicContact CE-CD1 3.53Å |
| 477 | G | 95.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67 | -40.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q473 F474 V479 A480 D481 | Q473-G477 PolarHBondContact O-N 3.22Å; Q473-G477 VanDerWaalsContact O-N 3.15Å; F474-G477 PolarHBondContact O-N 3.46Å; G477-V479 PolarHBondContact O-N 3.21Å; G477-A480 WeakPolarHBondContact O-CB 3.15Å; G477-A480 PolarHBondContact O-N 2.88Å; G477-D481 VanDerWaalsContact O-CG 3.23Å; G477-D481 PolarHBondContact O-N 3.29Å |
| 478 | F | 97.6 | Very high | 95.9 | Very high | 107 Ų | 107 | 47 Ų | 47 | 47% | 0.469 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 177.5 | -180 | -95.2 | 0 | 0 | 0 | 112.8 | A48 F474 L475 A480 D481 Y482 | A48-F478 HydrophobicContact CB-CB 4.13Å; F474-F478 HydrophobicContact CE1-CB 4.35Å; F474-F478 HydrophobicContact CZ-CD2 4.49Å; F474-F478 WeakPolarHBondContact O-CB 3.34Å; F474-F478 PolarHBondContact O-N 2.98Å; L475-F478 PolarHBondContact O-N 2.99Å; F478-A480 VanDerWaalsContact C-N 3.31Å; F478-D481 PolarHBondContact O-N 3.14Å; F478-Y482 WeakPolarHBondContact O-CB 3.34Å; F478-Y482 PolarHBondContact O-N 3.49Å |
| 479 | V | 97.8 | Very high | 96.1 | Very high | 21 Ų | 21 | 45.5 Ų | 45.5 | 13% | 0.127 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.1 | -39.7 | 175.5 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | L475 G477 Y482 T483 W488 I492 | L475-V479 HydrophobicContact CD1-CG2 4.08Å; L475-V479 HydrophobicContact CG-CG2 4.45Å; L475-V479 VanDerWaalsContact O-CG2 3.29Å; L475-V479 WeakPolarHBondContact O-CG2 3.41Å; L475-V479 PolarHBondContact O-N 3.33Å; G477-V479 PolarHBondContact O-N 3.21Å; V479-Y482 PolarHBondContact O-N 3.49Å; V479-T483 HydrophobicContact CG1-CG2 4.28Å; V479-T483 WeakPolarHBondContact O-CB 3.14Å; V479-T483 WeakPolarHBondContact O-CG2 3.45Å; V479-T483 PolarHBondContact O-N 2.74Å; V479-T483 PolarHBondContact O-OG1 3.38Å; V479-W488 HydrophobicContact CG1-CB 3.71Å; V479-I492 HydrophobicContact CB-CD1 4.39Å; V479-I492 HydrophobicContact CG1-CD1 3.96Å; V479-I492 HydrophobicContact CG2-CD1 3.82Å |
| 480 | A | 96.2 | Very high | 96.2 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 5% | 0.05 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.6 | -45.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | M476 G477 F478 Y482 T483 G484 T485 F486 S489 | M476-A480 PolarHBondContact O-N 3.36Å; M476-A480 VanDerWaalsContact O-N 3.17Å; G477-A480 WeakPolarHBondContact O-CB 3.15Å; G477-A480 PolarHBondContact O-N 2.88Å; F478-A480 VanDerWaalsContact C-N 3.31Å; A480-Y482 PolarHBondContact O-N 2.62Å; A480-T483 PolarHBondContact O-N 2.65Å; A480-G484 WeakPolarHBondContact O-CA 3.43Å; A480-G484 PolarHBondContact O-N 3.41Å; A480-T485 PolarHBondContact O-N 3.41Å; A480-F486 HydrophobicContact CB-CD1 3.45Å; A480-F486 VanDerWaalsContact CB-CD1 3.45Å; A480-F486 HydrophobicContact CB-CE1 3.39Å; A480-F486 HydrophobicContact CB-CG 4.13Å; A480-F486 HydrophobicContact CB-CZ 4.03Å; A480-S489 PolarHBondContact N-OG 3.44Å |
| 481 | D | 96.2 | Very high | 96.4 | Very high | 67 Ų | 67 | 48.2 Ų | 48.2 | 36% | 0.358 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.8 | -40.2 | 177.8 | -67.8 | -18.3 | 0 | 0 | 0 | 112.4 | G46 S47 A48 G477 F478 | G46-D481 VanDerWaalsContact CA-OD1 3.28Å; G46-D481 WeakPolarHBondContact CA-OD1 3.39Å; G46-D481 WeakPolarHBondContact CA-OD2 3.39Å; S47-D481 VanDerWaalsContact N-CG 3.29Å; S47-D481 PolarHBondContact N-OD1 3Å; S47-D481 PolarHBondContact N-OD2 3.38Å; S47-D481 VanDerWaalsContact N-OD2 3.09Å; A48-D481 VanDerWaalsContact CB-OD2 3.25Å; A48-D481 WeakPolarHBondContact CB-OD2 3.4Å; A48-D481 PolarHBondContact N-OD2 3.02Å; G477-D481 VanDerWaalsContact O-CG 3.23Å; G477-D481 PolarHBondContact O-N 3.29Å; F478-D481 PolarHBondContact O-N 3.14Å |
| 482 | Y | 96.5 | Very high | 96.5 | Very high | 193 Ų | 193 | 47.2 Ų | 47.2 | 76% | 0.757 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -73.3 | -39.1 | -180 | 179.6 | -101.3 | 0 | 0 | 0 | 112.9 | F478 V479 A480 | F478-Y482 WeakPolarHBondContact O-CB 3.34Å; F478-Y482 PolarHBondContact O-N 3.49Å; V479-Y482 PolarHBondContact O-N 3.49Å; A480-Y482 PolarHBondContact O-N 2.62Å |
| 483 | T | 95.8 | Very high | 96.6 | Very high | 53 Ų | 53 | 46.6 Ų | 46.6 | 33% | 0.325 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -91.3 | -14.7 | -176.7 | 61.8 | 0 | 0 | 0 | 0 | 113.6 | V479 A480 T485 W488 | V479-T483 HydrophobicContact CG1-CG2 4.28Å; V479-T483 WeakPolarHBondContact O-CB 3.14Å; V479-T483 WeakPolarHBondContact O-CG2 3.45Å; V479-T483 PolarHBondContact O-N 2.74Å; V479-T483 PolarHBondContact O-OG1 3.38Å; A480-T483 PolarHBondContact O-N 2.65Å; T483-T485 VanDerWaalsContact C-N 3.27Å; T483-T485 PolarHBondContact O-N 2.99Å; T483-T485 PolarHBondContact OG1-O 3.22Å; T483-T485 VanDerWaalsContact OG1-O 3.06Å; T483-W488 HydrophobicContact CG2-CB 4.26Å; T483-W488 HydrophobicContact CG2-CG 4.1Å |
| 484 | G | 93.1 | Very high | 96.7 | Very high | 68 Ų | 68 | 46.6 Ų | 46.6 | 70% | 0.701 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 9.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A480 | A480-G484 WeakPolarHBondContact O-CA 3.43Å; A480-G484 PolarHBondContact O-N 3.41Å |
| 485 | T | 94.8 | Very high | 96.8 | Very high | 29 Ų | 29 | 47.1 Ų | 47.1 | 18% | 0.178 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -152.5 | 149.1 | -178.5 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | E333 A480 T483 V487 | E333-T485 WeakPolarHBondContact OE1-CB 3.34Å; E333-T485 PolarHBondContact OE1-OG1 3.41Å; A480-T485 PolarHBondContact O-N 3.41Å; T483-T485 VanDerWaalsContact C-N 3.27Å; T483-T485 PolarHBondContact O-N 2.99Å; T483-T485 PolarHBondContact OG1-O 3.22Å; T483-T485 VanDerWaalsContact OG1-O 3.06Å; T485-V487 VanDerWaalsContact C-N 3.27Å; T485-V487 HydrophobicContact CG2-CB 4.2Å; T485-V487 PolarHBondContact O-N 3.1Å; T485-V487 WeakPolarHBondContact OG1-CG2 3.47Å; T485-V487 PolarHBondContact OG1-N 2.97Å |
| 486 | F | 96 | Very high | 96.8 | Very high | 20 Ų | 20 | 45 Ų | 45 | 9% | 0.088 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -4.7 | 174.4 | -72.7 | -74.7 | 0 | 0 | 0 | 114.6 | F51 I326 V329 F330 E333 A480 W488 S489 L490 | F51-F486 HydrophobicContact CE2-CE1 4.04Å; F51-F486 HydrophobicContact CE2-CZ 4.42Å; F51-F486 AromaticContact CZ-CE1 3.86Å; F51-F486 HydrophobicContact CZ-CE1 3.86Å; I326-F486 HydrophobicContact CG1-CD1 4.19Å; I326-F486 HydrophobicContact CG2-CB 3.63Å; I326-F486 HydrophobicContact CG2-CD1 3.85Å; I326-F486 HydrophobicContact CG2-CG 3.9Å; V329-F486 HydrophobicContact CB-CE2 4.03Å; V329-F486 HydrophobicContact CB-CZ 4.3Å; V329-F486 HydrophobicContact CG2-CD1 4.39Å; V329-F486 HydrophobicContact CG2-CD2 4.05Å; V329-F486 HydrophobicContact CG2-CE1 4.03Å; V329-F486 HydrophobicContact CG2-CE2 3.67Å; V329-F486 HydrophobicContact CG2-CG 4.41Å; V329-F486 HydrophobicContact CG2-CZ 3.66Å; F330-F486 HydrophobicContact CB-CB 4.35Å; F330-F486 HydrophobicContact CD2-CB 3.9Å; F330-F486 HydrophobicContact CG-CB 4.49Å; E333-F486 VanDerWaalsContact OE2-CD2 3.29Å; E333-F486 WeakPolarHBondContact OE2-CD2 3.45Å; E333-F486 PolarHBondContact OE2-N 3.33Å; A480-F486 HydrophobicContact CB-CD1 3.45Å; A480-F486 VanDerWaalsContact CB-CD1 3.45Å; A480-F486 HydrophobicContact CB-CE1 3.39Å; A480-F486 HydrophobicContact CB-CG 4.13Å; A480-F486 HydrophobicContact CB-CZ 4.03Å; F486-W488 VanDerWaalsContact C-N 3.34Å; F486-W488 PolarHBondContact O-N 3.11Å; F486-S489 PolarHBondContact O-N 3.34Å; F486-L490 PolarHBondContact O-N 3.23Å |
| 487 | V | 97.3 | Very high | 96.9 | Very high | 15 Ų | 15 | 45 Ų | 45 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.9 | -44.6 | -179.1 | 171.2 | 0 | 0 | 0 | 0 | 112.3 | F330 A391 T485 L490 R491 | F330-V487 HydrophobicContact CE2-CG2 3.87Å; F330-V487 HydrophobicContact CZ-CG2 4.2Å; A391-V487 HydrophobicContact CB-CG1 4.21Å; T485-V487 VanDerWaalsContact C-N 3.27Å; T485-V487 HydrophobicContact CG2-CB 4.2Å; T485-V487 PolarHBondContact O-N 3.1Å; T485-V487 WeakPolarHBondContact OG1-CG2 3.47Å; T485-V487 PolarHBondContact OG1-N 2.97Å; V487-L490 PolarHBondContact O-N 2.98Å; V487-R491 WeakPolarHBondContact O-CG 3.46Å; V487-R491 PolarHBondContact O-N 3.25Å; V487-R491 VanDerWaalsContact O-N 3.08Å |
| 488 | W | 96.9 | Very high | 97 | Very high | 132 Ų | 132 | 46.7 Ų | 46.7 | 50% | 0.5 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -70.7 | -37.2 | 179.3 | -70.8 | 107.2 | 0 | 0 | 0 | 112.1 | V479 T483 F486 L490 R491 I492 | V479-W488 HydrophobicContact CG1-CB 3.71Å; T483-W488 HydrophobicContact CG2-CB 4.26Å; T483-W488 HydrophobicContact CG2-CG 4.1Å; F486-W488 VanDerWaalsContact C-N 3.34Å; F486-W488 PolarHBondContact O-N 3.11Å; W488-L490 VanDerWaalsContact C-N 3.34Å; W488-L490 PolarHBondContact O-N 3.21Å; W488-R491 PolarHBondContact O-N 3.44Å; W488-I492 VanDerWaalsContact O-CG1 3.31Å; W488-I492 WeakPolarHBondContact O-CG1 3.44Å; W488-I492 PolarHBondContact O-N 2.9Å |
| 489 | S | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 173.9 | -53.5 | 0 | 0 | 0 | 0 | 111.1 | M476 A480 F486 R491 I492 C493 | M476-S489 PolarHBondContact O-OG 3.49Å; A480-S489 PolarHBondContact N-OG 3.44Å; F486-S489 PolarHBondContact O-N 3.34Å; S489-R491 PolarHBondContact O-N 3.33Å; S489-I492 PolarHBondContact O-N 3.36Å; S489-C493 PolarHBondContact O-N 2.91Å; S489-C493 PolarHBondContact O-SG 2.79Å |
| 490 | L | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.8 | -41.6 | 174.7 | -78.1 | 165 | 0 | 0 | 0 | 112.9 | I326 F330 F390 A391 F486 V487 W488 C493 G494 | I326-L490 HydrophobicContact CB-CD2 4.28Å; I326-L490 HydrophobicContact CG2-CD1 4.12Å; I326-L490 HydrophobicContact CG2-CD2 3.86Å; I326-L490 HydrophobicContact CG2-CG 3.71Å; F330-L490 HydrophobicContact CD1-CD1 3.8Å; F330-L490 HydrophobicContact CD2-CD1 4.25Å; F330-L490 HydrophobicContact CE1-CD1 3.96Å; F330-L490 HydrophobicContact CE2-CD1 4.38Å; F330-L490 HydrophobicContact CG-CD1 3.94Å; F330-L490 HydrophobicContact CZ-CD1 4.23Å; F390-L490 HydrophobicContact CB-CD1 3.93Å; F390-L490 HydrophobicContact CB-CD2 3.98Å; A391-L490 HydrophobicContact CB-CB 3.94Å; A391-L490 HydrophobicContact CB-CD1 4.43Å; F486-L490 PolarHBondContact O-N 3.23Å; V487-L490 PolarHBondContact O-N 2.98Å; W488-L490 VanDerWaalsContact C-N 3.34Å; W488-L490 PolarHBondContact O-N 3.21Å; L490-C493 WeakPolarHBondContact O-CB 3.46Å; L490-C493 PolarHBondContact O-N 3.36Å; L490-G494 PolarHBondContact O-N 3.18Å |
| 491 | R | 98 | Very high | 97 | Very high | 69 Ų | 69 | 42.9 Ų | 42.9 | 26% | 0.26 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 176.3 | -71.7 | 173.9 | 178.2 | -164.4 | -1.9 | 112 | F388 A391 V487 W488 S489 C493 G494 V495 | F388-R491 HydrophobicContact CD1-CB 4.49Å; F388-R491 HydrophobicContact CD1-CG 4.09Å; F388-R491 HydrophobicContact CE1-CB 4.08Å; F388-R491 HydrophobicContact CE1-CG 4.09Å; A391-R491 HydrophobicContact CB-CG 4Å; V487-R491 WeakPolarHBondContact O-CG 3.46Å; V487-R491 PolarHBondContact O-N 3.25Å; V487-R491 VanDerWaalsContact O-N 3.08Å; W488-R491 PolarHBondContact O-N 3.44Å; S489-R491 PolarHBondContact O-N 3.33Å; R491-C493 VanDerWaalsContact C-N 3.34Å; R491-G494 PolarHBondContact O-N 2.9Å; R491-V495 WeakPolarHBondContact O-CG2 3.5Å; R491-V495 PolarHBondContact O-N 3.46Å |
| 492 | I | 97.7 | Very high | 97 | Very high | 55 Ų | 55 | 45.7 Ų | 45.7 | 28% | 0.282 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.2 | -43.4 | 175.8 | -66 | 169.4 | 0 | 0 | 0 | 110 | M476 V479 W488 S489 G494 V495 I496 | M476-I492 HydrophobicContact CE-CB 4.26Å; M476-I492 HydrophobicContact CE-CG2 3.56Å; M476-I492 HydrophobicContact SD-CB 4.19Å; M476-I492 HydrophobicContact SD-CG2 4.03Å; V479-I492 HydrophobicContact CB-CD1 4.39Å; V479-I492 HydrophobicContact CG1-CD1 3.96Å; V479-I492 HydrophobicContact CG2-CD1 3.82Å; W488-I492 VanDerWaalsContact O-CG1 3.31Å; W488-I492 WeakPolarHBondContact O-CG1 3.44Å; W488-I492 PolarHBondContact O-N 2.9Å; S489-I492 PolarHBondContact O-N 3.36Å; I492-G494 VanDerWaalsContact C-N 3.3Å; I492-G494 PolarHBondContact O-N 3.38Å; I492-V495 PolarHBondContact O-N 3.46Å; I492-I496 HydrophobicContact CG2-CD1 3.92Å; I492-I496 HydrophobicContact CG2-CG1 4.47Å; I492-I496 WeakPolarHBondContact O-CG1 3.34Å; I492-I496 PolarHBondContact O-N 2.76Å |
| 493 | C | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56 | -46.3 | 173.2 | -65 | 0 | 0 | 0 | 0 | 111.4 | S322 V323 S489 L490 R491 V495 I496 L497 | S322-C493 WeakPolarHBondContact CB-SG 3.44Å; V323-C493 HydrophobicContact CG2-CB 4.15Å; S489-C493 PolarHBondContact O-N 2.91Å; S489-C493 PolarHBondContact O-SG 2.79Å; L490-C493 WeakPolarHBondContact O-CB 3.46Å; L490-C493 PolarHBondContact O-N 3.36Å; R491-C493 VanDerWaalsContact C-N 3.34Å; C493-V495 PolarHBondContact O-N 3.38Å; C493-I496 PolarHBondContact O-N 3.3Å; C493-L497 WeakPolarHBondContact O-CB 3.48Å; C493-L497 WeakPolarHBondContact O-CD1 3.32Å; C493-L497 WeakPolarHBondContact O-CG 3.49Å; C493-L497 PolarHBondContact O-N 3.35Å |
| 494 | G | 98 | Very high | 97 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.1 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G384 L490 R491 I492 L497 L498 | G384-G494 WeakPolarHBondContact O-CA 3.39Å; L490-G494 PolarHBondContact O-N 3.18Å; R491-G494 PolarHBondContact O-N 2.9Å; I492-G494 VanDerWaalsContact C-N 3.3Å; I492-G494 PolarHBondContact O-N 3.38Å; G494-L497 PolarHBondContact O-N 3.16Å; G494-L498 VanDerWaalsContact O-CG 3.29Å; G494-L498 WeakPolarHBondContact O-CG 3.47Å; G494-L498 PolarHBondContact O-N 3.49Å |
| 495 | V | 98.3 | Very high | 97 | Very high | 76 Ų | 76 | 35 Ų | 35 | 46% | 0.461 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.9 | -46.1 | 175.6 | 176 | 0 | 0 | 0 | 0 | 111.5 | F388 R491 I492 C493 L497 L498 C499 | F388-V495 HydrophobicContact CZ-CG2 3.85Å; R491-V495 WeakPolarHBondContact O-CG2 3.5Å; R491-V495 PolarHBondContact O-N 3.46Å; I492-V495 PolarHBondContact O-N 3.46Å; C493-V495 PolarHBondContact O-N 3.38Å; V495-L497 VanDerWaalsContact C-N 3.33Å; V495-L497 PolarHBondContact O-N 3.13Å; V495-L498 PolarHBondContact O-N 3.17Å; V495-C499 WeakPolarHBondContact O-CB 3.38Å; V495-C499 PolarHBondContact O-N 3.41Å; V495-C499 PolarHBondContact O-SG 3.4Å; V495-C499 VanDerWaalsContact O-SG 3.32Å |
| 496 | I | 97.7 | Very high | 96.9 | Very high | 35 Ų | 35 | 37.5 Ų | 37.5 | 18% | 0.179 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.9 | -43.8 | 179.5 | -68.8 | 170.2 | 0 | 0 | 0 | 110.9 | F315 M476 I492 C493 C499 A500 | F315-I496 HydrophobicContact CB-CG2 3.82Å; F315-I496 HydrophobicContact CD1-CG2 4.3Å; F315-I496 HydrophobicContact CG-CG2 4.22Å; F315-I496 VanDerWaalsContact O-CG2 3.28Å; F315-I496 WeakPolarHBondContact O-CG2 3.19Å; M476-I496 HydrophobicContact CE-CD1 3.53Å; I492-I496 HydrophobicContact CG2-CD1 3.92Å; I492-I496 HydrophobicContact CG2-CG1 4.47Å; I492-I496 WeakPolarHBondContact O-CG1 3.34Å; I492-I496 PolarHBondContact O-N 2.76Å; C493-I496 PolarHBondContact O-N 3.3Å; I496-C499 WeakPolarHBondContact O-CB 3.37Å; I496-C499 PolarHBondContact O-N 2.88Å; I496-A500 PolarHBondContact O-N 2.86Å |
| 497 | L | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.2 | -40.8 | 177.9 | -75.8 | 160.4 | 0 | 0 | 0 | 112.7 | G316 V323 W380 E383 G384 A387 C493 G494 V495 A500 G501 | G316-L497 WeakPolarHBondContact O-CD2 3.47Å; V323-L497 HydrophobicContact CG2-CD1 4.1Å; W380-L497 HydrophobicContact CD2-CD2 4.33Å; W380-L497 HydrophobicContact CE3-CD2 3.51Å; W380-L497 HydrophobicContact CZ3-CD2 3.94Å; E383-L497 HydrophobicContact CB-CD1 4.39Å; E383-L497 HydrophobicContact CB-CD2 4.35Å; E383-L497 HydrophobicContact CG-CD1 3.9Å; E383-L497 HydrophobicContact CG-CD2 4.16Å; G384-L497 VanDerWaalsContact CA-CB 3.46Å; A387-L497 HydrophobicContact CB-CD1 4.36Å; C493-L497 WeakPolarHBondContact O-CB 3.48Å; C493-L497 WeakPolarHBondContact O-CD1 3.32Å; C493-L497 WeakPolarHBondContact O-CG 3.49Å; C493-L497 PolarHBondContact O-N 3.35Å; G494-L497 PolarHBondContact O-N 3.16Å; V495-L497 VanDerWaalsContact C-N 3.33Å; V495-L497 PolarHBondContact O-N 3.13Å; L497-A500 VanDerWaalsContact O-CB 3.3Å; L497-A500 WeakPolarHBondContact O-CB 3.46Å; L497-A500 PolarHBondContact O-N 3.5Å; L497-G501 PolarHBondContact O-N 3.5Å |
| 498 | L | 98.3 | Very high | 96.3 | Very high | 34 Ų | 34 | 40 Ų | 40 | 18% | 0.178 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.9 | -45.8 | 172.8 | -70.5 | 178.4 | 0 | 0 | 0 | 110.8 | I381 L385 F388 G494 V495 A500 G501 F502 | I381-L498 HydrophobicContact CB-CD2 4.33Å; I381-L498 HydrophobicContact CG1-CD2 4.4Å; I381-L498 HydrophobicContact CG2-CD2 3.93Å; L385-L498 HydrophobicContact CD2-CD2 4.47Å; L385-L498 HydrophobicContact CG-CD2 4.39Å; F388-L498 HydrophobicContact CE2-CD1 3.77Å; G494-L498 VanDerWaalsContact O-CG 3.29Å; G494-L498 WeakPolarHBondContact O-CG 3.47Å; G494-L498 PolarHBondContact O-N 3.49Å; V495-L498 PolarHBondContact O-N 3.17Å; L498-A500 VanDerWaalsContact C-N 3.27Å; L498-A500 PolarHBondContact O-N 3.38Å; L498-G501 PolarHBondContact O-N 3.32Å; L498-F502 HydrophobicContact CB-CD2 4.37Å; L498-F502 HydrophobicContact CB-CE2 4.23Å; L498-F502 WeakPolarHBondContact O-CD2 3.41Å; L498-F502 PolarHBondContact O-N 2.93Å |
| 499 | C | 97.6 | Very high | 95.8 | Very high | 55 Ų | 55 | 36.4 Ų | 36.4 | 37% | 0.372 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.5 | -38.8 | 174.6 | -71.8 | 0 | 0 | 0 | 0 | 112 | F315 V495 I496 T503 | F315-C499 HydrophobicContact CD2-CB 4.35Å; V495-C499 WeakPolarHBondContact O-CB 3.38Å; V495-C499 PolarHBondContact O-N 3.41Å; V495-C499 PolarHBondContact O-SG 3.4Å; V495-C499 VanDerWaalsContact O-SG 3.32Å; I496-C499 WeakPolarHBondContact O-CB 3.37Å; I496-C499 PolarHBondContact O-N 2.88Å; C499-T503 VanDerWaalsContact O-CB 3.29Å; C499-T503 WeakPolarHBondContact O-CB 3.49Å; C499-T503 PolarHBondContact O-N 2.86Å; C499-T503 PolarHBondContact O-OG1 3.18Å |
| 500 | A | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60 | -50.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | G312 F315 G316 W380 I496 L497 L498 T503 L504 | G312-A500 VanDerWaalsContact O-CB 3.29Å; G312-A500 WeakPolarHBondContact O-CB 3.39Å; F315-A500 HydrophobicContact CB-CB 3.74Å; G316-A500 VanDerWaalsContact N-CB 3.3Å; W380-A500 HydrophobicContact CB-CB 4.27Å; W380-A500 HydrophobicContact CG-CB 4.25Å; I496-A500 PolarHBondContact O-N 2.86Å; L497-A500 VanDerWaalsContact O-CB 3.3Å; L497-A500 WeakPolarHBondContact O-CB 3.46Å; L497-A500 PolarHBondContact O-N 3.5Å; L498-A500 VanDerWaalsContact C-N 3.27Å; L498-A500 PolarHBondContact O-N 3.38Å; A500-T503 PolarHBondContact O-N 3.09Å; A500-L504 PolarHBondContact O-N 3.32Å; A500-L504 VanDerWaalsContact O-N 3.09Å |
| 501 | G | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.2 | -50.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L497 L498 T503 L504 F505 | L497-G501 PolarHBondContact O-N 3.5Å; L498-G501 PolarHBondContact O-N 3.32Å; G501-T503 VanDerWaalsContact C-N 3.3Å; G501-T503 PolarHBondContact O-N 3.45Å; G501-L504 PolarHBondContact O-N 3.44Å; G501-L504 VanDerWaalsContact O-N 3.16Å; G501-F505 VanDerWaalsContact O-CD2 3.24Å; G501-F505 WeakPolarHBondContact O-CD2 3.39Å; G501-F505 PolarHBondContact O-N 3.48Å; G501-F505 VanDerWaalsContact O-N 3.11Å |
| 502 | F | 97 | Very high | 94.1 | Very high | 126 Ų | 126 | 46.5 Ų | 46.5 | 55% | 0.553 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -62.8 | -34.7 | 177.3 | -72.1 | -59 | 0 | 0 | 0 | 113.2 | I381 L498 F505 L506 | I381-F502 HydrophobicContact CD1-CE1 4.25Å; I381-F502 HydrophobicContact CD1-CZ 4.43Å; L498-F502 HydrophobicContact CB-CD2 4.37Å; L498-F502 HydrophobicContact CB-CE2 4.23Å; L498-F502 WeakPolarHBondContact O-CD2 3.41Å; L498-F502 PolarHBondContact O-N 2.93Å; F502-F505 WeakPolarHBondContact O-CB 3.17Å; F502-F505 PolarHBondContact O-N 3.32Å; F502-L506 PolarHBondContact O-N 3.49Å |
| 503 | T | 96 | Very high | 93.3 | Very high | 23 Ų | 23 | 49.6 Ų | 49.6 | 14% | 0.141 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.5 | -44.6 | 174.2 | -60.8 | 0 | 0 | 0 | 0 | 110.5 | V308 I311 C499 A500 G501 F505 L506 | V308-T503 HydrophobicContact CG1-CG2 4.27Å; V308-T503 WeakPolarHBondContact CG1-O 3.34Å; I311-T503 HydrophobicContact CB-CG2 4.05Å; I311-T503 HydrophobicContact CG2-CG2 3.89Å; C499-T503 VanDerWaalsContact O-CB 3.29Å; C499-T503 WeakPolarHBondContact O-CB 3.49Å; C499-T503 PolarHBondContact O-N 2.86Å; C499-T503 PolarHBondContact O-OG1 3.18Å; A500-T503 PolarHBondContact O-N 3.09Å; G501-T503 VanDerWaalsContact C-N 3.3Å; G501-T503 PolarHBondContact O-N 3.45Å; T503-F505 VanDerWaalsContact C-N 3.27Å; T503-F505 PolarHBondContact O-N 3.09Å; T503-L506 WeakPolarHBondContact O-CB 3.38Å; T503-L506 WeakPolarHBondContact O-CG 3.27Å; T503-L506 PolarHBondContact O-N 2.98Å |
| 504 | L | 95 | Very high | 92.3 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.3 | -30 | 177.4 | -66.9 | 179.7 | 0 | 0 | 0 | 112.8 | L376 A377 W448 A500 G501 L506 E507 | L376-L504 HydrophobicContact CB-CD1 4.12Å; L376-L504 HydrophobicContact CD2-CD1 3.83Å; L376-L504 HydrophobicContact CG-CD1 3.64Å; A377-L504 HydrophobicContact CB-CB 3.71Å; A377-L504 HydrophobicContact CB-CD1 4.47Å; W448-L504 HydrophobicContact CH2-CD2 3.83Å; W448-L504 HydrophobicContact CZ3-CD2 4.25Å; A500-L504 PolarHBondContact O-N 3.32Å; A500-L504 VanDerWaalsContact O-N 3.09Å; G501-L504 PolarHBondContact O-N 3.44Å; G501-L504 VanDerWaalsContact O-N 3.16Å; L504-L506 PolarHBondContact O-N 3.22Å; L504-E507 WeakPolarHBondContact O-CB 3.22Å; L504-E507 PolarHBondContact O-N 2.94Å; L504-E507 VanDerWaalsContact O-N 3.1Å |
| 505 | F | 94.5 | Very high | 91.2 | Very high | 63 Ų | 63 | 58.4 Ų | 58.4 | 28% | 0.276 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.2 | -18.5 | 170.8 | -84.8 | -73.1 | 0 | 0 | 0 | 113.8 | L374 A377 I378 I381 G501 F502 T503 E507 F508 P509 | L374-F505 HydrophobicContact CD1-CD1 4.14Å; L374-F505 HydrophobicContact CD1-CE1 3.22Å; L374-F505 HydrophobicContact CD1-CZ 3.66Å; A377-F505 HydrophobicContact CB-CD2 3.8Å; A377-F505 HydrophobicContact CB-CE2 3.65Å; A377-F505 HydrophobicContact CB-CG 4.33Å; A377-F505 HydrophobicContact CB-CZ 4.12Å; I378-F505 HydrophobicContact CG1-CZ 4.23Å; I381-F505 HydrophobicContact CD1-CD2 4.15Å; I381-F505 HydrophobicContact CD1-CE2 3.54Å; G501-F505 VanDerWaalsContact O-CD2 3.24Å; G501-F505 WeakPolarHBondContact O-CD2 3.39Å; G501-F505 PolarHBondContact O-N 3.48Å; G501-F505 VanDerWaalsContact O-N 3.11Å; F502-F505 WeakPolarHBondContact O-CB 3.17Å; F502-F505 PolarHBondContact O-N 3.32Å; T503-F505 VanDerWaalsContact C-N 3.27Å; T503-F505 PolarHBondContact O-N 3.09Å; F505-E507 PolarHBondContact O-N 3.3Å; F505-E507 VanDerWaalsContact O-N 3.1Å; F505-F508 HydrophobicContact CD1-CD2 4.11Å; F505-F508 AromaticContact CD1-CE2 3.87Å; F505-F508 HydrophobicContact CD1-CE2 3.87Å; F505-F508 HydrophobicContact CE1-CE2 4.27Å; F505-F508 WeakPolarHBondContact O-CD2 3.38Å; F505-F508 PolarHBondContact O-N 3.26Å; F505-P509 VanDerWaalsContact O-CD 3.31Å; F505-P509 WeakPolarHBondContact O-CD 3.46Å |
| 506 | L | 92.1 | Very high | 89.5 | Confident | 83 Ų | 83 | 57.9 Ų | 57.9 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -10.1 | 173.3 | -59.4 | 176.8 | 0 | 0 | 0 | 112.9 | V308 F502 T503 L504 F508 P509 V510 | V308-L506 HydrophobicContact CG1-CB 4.21Å; V308-L506 HydrophobicContact CG2-CB 4.36Å; F502-L506 PolarHBondContact O-N 3.49Å; T503-L506 WeakPolarHBondContact O-CB 3.38Å; T503-L506 WeakPolarHBondContact O-CG 3.27Å; T503-L506 PolarHBondContact O-N 2.98Å; L504-L506 PolarHBondContact O-N 3.22Å; L506-F508 VanDerWaalsContact C-N 3.27Å; L506-F508 PolarHBondContact O-N 3.26Å; L506-P509 HydrophobicContact CB-CG 4.39Å; L506-P509 HydrophobicContact CD2-CG 4.14Å; L506-P509 VanDerWaalsContact O-CD 3.24Å; L506-P509 WeakPolarHBondContact O-CD 3.5Å; L506-P509 VanDerWaalsContact O-CG 3.31Å; L506-P509 WeakPolarHBondContact O-CG 3.3Å; L506-V510 VanDerWaalsContact O-CB 3.31Å; L506-V510 WeakPolarHBondContact O-CB 3.26Å; L506-V510 WeakPolarHBondContact O-CG2 3.31Å; L506-V510 PolarHBondContact O-N 3.04Å; L506-V510 VanDerWaalsContact O-N 3.08Å |
| 507 | E | 90.8 | Very high | 87.7 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.019 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -48.8 | -48.1 | 167.8 | 176.9 | 177.1 | -162.6 | 0 | 0 | 112 | L305 W448 L504 F505 R511 | L305-E507 HydrophobicContact CD2-CG 4.18Å; W448-E507 HydrophobicContact CH2-CB 4.07Å; W448-E507 HydrophobicContact CZ2-CB 3.85Å; W448-E507 VanDerWaalsContact CZ2-CD 3.44Å; W448-E507 HydrophobicContact CZ2-CG 3.96Å; W448-E507 WeakPolarHBondContact CZ2-OE2 3.42Å; W448-E507 PolarHBondContact NE1-OE1 2.89Å; L504-E507 WeakPolarHBondContact O-CB 3.22Å; L504-E507 PolarHBondContact O-N 2.94Å; L504-E507 VanDerWaalsContact O-N 3.1Å; F505-E507 PolarHBondContact O-N 3.3Å; F505-E507 VanDerWaalsContact O-N 3.1Å; E507-R511 HydrophobicContact CG-CG 4.42Å; E507-R511 VanDerWaalsContact CG-NE 3.35Å; E507-R511 WeakPolarHBondContact O-CB 3.13Å; E507-R511 VanDerWaalsContact O-CG 3.3Å; E507-R511 WeakPolarHBondContact O-CG 3.38Å; E507-R511 PolarHBondContact O-N 3.36Å; E507-R511 IonicContact OE1-CZ 3.52Å; E507-R511 VanDerWaalsContact OE1-CZ 3.23Å; E507-R511 IonicContact OE1-NE 3.37Å; E507-R511 PolarHBondContact OE1-NE 2.73Å; E507-R511 IonicContact OE1-NH2 3.74Å; E507-R511 PolarHBondContact OE1-NH2 3.1Å |
| 508 | F | 89.4 | Confident | 85.9 | Confident | 83 Ų | 83 | 61.7 Ų | 61.7 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.3 | -53.6 | -175.7 | -62 | -75.3 | 0 | 0 | 0 | 113.9 | L374 F505 L506 V510 R511 R512 | L374-F508 HydrophobicContact CB-CZ 4.15Å; L374-F508 HydrophobicContact CD1-CE2 4.03Å; L374-F508 HydrophobicContact CD1-CZ 4.15Å; L374-F508 HydrophobicContact CD2-CZ 4.35Å; L374-F508 HydrophobicContact CG-CZ 4.46Å; F505-F508 HydrophobicContact CD1-CD2 4.11Å; F505-F508 AromaticContact CD1-CE2 3.87Å; F505-F508 HydrophobicContact CD1-CE2 3.87Å; F505-F508 HydrophobicContact CE1-CE2 4.27Å; F505-F508 WeakPolarHBondContact O-CD2 3.38Å; F505-F508 PolarHBondContact O-N 3.26Å; L506-F508 VanDerWaalsContact C-N 3.27Å; L506-F508 PolarHBondContact O-N 3.26Å; F508-V510 VanDerWaalsContact C-N 3.31Å; F508-V510 PolarHBondContact O-N 2.78Å; F508-R511 PolarHBondContact O-N 3.15Å; F508-R512 WeakPolarHBondContact O-CG 3.18Å; F508-R512 PolarHBondContact O-N 2.98Å |
| 509 | P | 87.5 | Confident | 84 | Confident | 57 Ų | 57 | 65.3 Ų | 65.3 | 37% | 0.37 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 177.4 | 23.9 | -33.3 | 0 | 0 | 0 | 111.6 | F505 L506 R511 R512 L513 | F505-P509 VanDerWaalsContact O-CD 3.31Å; F505-P509 WeakPolarHBondContact O-CD 3.46Å; L506-P509 HydrophobicContact CB-CG 4.39Å; L506-P509 HydrophobicContact CD2-CG 4.14Å; L506-P509 VanDerWaalsContact O-CD 3.24Å; L506-P509 WeakPolarHBondContact O-CD 3.5Å; L506-P509 VanDerWaalsContact O-CG 3.31Å; L506-P509 WeakPolarHBondContact O-CG 3.3Å; P509-R511 PolarHBondContact O-N 2.83Å; P509-R512 PolarHBondContact O-N 3.49Å; P509-L513 WeakPolarHBondContact O-CB 3.33Å; P509-L513 WeakPolarHBondContact O-CG 3.45Å; P509-L513 VanDerWaalsContact O-CG 3.24Å; P509-L513 PolarHBondContact O-N 3.32Å |
| 510 | V | 86.6 | Confident | 81.9 | Confident | 25 Ų | 25 | 69.4 Ų | 69.4 | 15% | 0.152 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.2 | -50.7 | 175.9 | 170.7 | 0 | 0 | 0 | 0 | 110.3 | L301 L305 V308 L506 F508 R512 L513 Y514 | L301-V510 HydrophobicContact CD1-CG1 3.81Å; L305-V510 HydrophobicContact CD2-CG1 4.13Å; L305-V510 HydrophobicContact CG-CG1 4.5Å; V308-V510 HydrophobicContact CG2-CG2 4.46Å; L506-V510 VanDerWaalsContact O-CB 3.31Å; L506-V510 WeakPolarHBondContact O-CB 3.26Å; L506-V510 WeakPolarHBondContact O-CG2 3.31Å; L506-V510 PolarHBondContact O-N 3.04Å; L506-V510 VanDerWaalsContact O-N 3.08Å; F508-V510 VanDerWaalsContact C-N 3.31Å; F508-V510 PolarHBondContact O-N 2.78Å; V510-R512 VanDerWaalsContact C-N 3.34Å; V510-R512 PolarHBondContact O-N 3.32Å; V510-L513 PolarHBondContact O-N 3.26Å; V510-Y514 HydrophobicContact CG1-CD2 4.2Å; V510-Y514 HydrophobicContact CG1-CE2 4.29Å; V510-Y514 VanDerWaalsContact O-CD2 3.32Å; V510-Y514 WeakPolarHBondContact O-CD2 3.36Å; V510-Y514 PolarHBondContact O-N 2.94Å |
| 511 | R | 86.1 | Confident | 79.7 | Confident | 76 Ų | 76 | 74.8 Ų | 74.8 | 29% | 0.287 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 178.1 | -71.6 | 179 | -174.6 | -80.4 | 3.5 | 112.6 | L301 E507 F508 P509 Y514 Q515 | L301-R511 HydrophobicContact CD1-CG 4.49Å; E507-R511 HydrophobicContact CG-CG 4.42Å; E507-R511 VanDerWaalsContact CG-NE 3.35Å; E507-R511 WeakPolarHBondContact O-CB 3.13Å; E507-R511 VanDerWaalsContact O-CG 3.3Å; E507-R511 WeakPolarHBondContact O-CG 3.38Å; E507-R511 PolarHBondContact O-N 3.36Å; E507-R511 IonicContact OE1-CZ 3.52Å; E507-R511 VanDerWaalsContact OE1-CZ 3.23Å; E507-R511 IonicContact OE1-NE 3.37Å; E507-R511 PolarHBondContact OE1-NE 2.73Å; E507-R511 IonicContact OE1-NH2 3.74Å; E507-R511 PolarHBondContact OE1-NH2 3.1Å; F508-R511 PolarHBondContact O-N 3.15Å; P509-R511 PolarHBondContact O-N 2.83Å; R511-Y514 PolarHBondContact O-N 3.45Å; R511-Q515 WeakPolarHBondContact O-CG 3.4Å; R511-Q515 PolarHBondContact O-N 3.05Å; R511-Q515 VanDerWaalsContact O-N 3.07Å |
| 512 | R | 84.8 | Confident | 77.7 | Confident | 180 Ų | 180 | 79.3 Ų | 79.3 | 68% | 0.679 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -64.9 | -44.9 | 178.3 | -74.4 | 179.3 | -177.1 | 179.2 | 2.4 | 112.9 | F508 P509 V510 Y514 Q515 S516 | F508-R512 WeakPolarHBondContact O-CG 3.18Å; F508-R512 PolarHBondContact O-N 2.98Å; P509-R512 PolarHBondContact O-N 3.49Å; V510-R512 VanDerWaalsContact C-N 3.34Å; V510-R512 PolarHBondContact O-N 3.32Å; R512-Y514 VanDerWaalsContact C-N 3.27Å; R512-Y514 PolarHBondContact O-N 3.15Å; R512-Q515 PolarHBondContact O-N 2.92Å; R512-S516 PolarHBondContact O-N 3.23Å |
| 513 | L | 81.2 | Confident | 75.6 | Confident | 119 Ų | 119 | 76.6 Ų | 76.6 | 62% | 0.623 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.1 | -38.5 | 179.7 | -72.4 | 170.2 | 0 | 0 | 0 | 111.6 | P509 V510 S517 | P509-L513 WeakPolarHBondContact O-CB 3.33Å; P509-L513 WeakPolarHBondContact O-CG 3.45Å; P509-L513 VanDerWaalsContact O-CG 3.24Å; P509-L513 PolarHBondContact O-N 3.32Å; V510-L513 PolarHBondContact O-N 3.26Å; L513-S517 PolarHBondContact O-N 3.36Å; L513-S517 PolarHBondContact O-OG 3.44Å; L513-S517 VanDerWaalsContact O-OG 3.06Å |
| 514 | Y | 76.1 | Confident | 73.4 | Confident | 63 Ų | 63 | 80.2 Ų | 80.2 | 25% | 0.247 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -73.7 | -37.8 | 177.4 | -84.6 | -87.6 | 0 | 0 | 0 | 113 | L301 S304 V510 R511 R512 S516 S517 T518 | L301-Y514 HydrophobicContact CB-CD1 4.28Å; L301-Y514 HydrophobicContact CB-CG 4.29Å; L301-Y514 HydrophobicContact CD1-CD2 3.81Å; L301-Y514 HydrophobicContact CD1-CE2 4.41Å; L301-Y514 HydrophobicContact CD1-CG 4.01Å; S304-Y514 PolarHBondContact OG-OH 3.06Å; V510-Y514 HydrophobicContact CG1-CD2 4.2Å; V510-Y514 HydrophobicContact CG1-CE2 4.29Å; V510-Y514 VanDerWaalsContact O-CD2 3.32Å; V510-Y514 WeakPolarHBondContact O-CD2 3.36Å; V510-Y514 PolarHBondContact O-N 2.94Å; R511-Y514 PolarHBondContact O-N 3.45Å; R512-Y514 VanDerWaalsContact C-N 3.27Å; R512-Y514 PolarHBondContact O-N 3.15Å; Y514-S516 VanDerWaalsContact C-N 3.34Å; Y514-S516 PolarHBondContact O-N 2.96Å; Y514-S517 PolarHBondContact O-N 3.13Å; Y514-T518 PolarHBondContact O-N 3.1Å |
| 515 | Q | 73.8 | Confident | 71.2 | Confident | 123 Ų | 123 | 84.2 Ų | 84.2 | 58% | 0.575 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.5 | -35.5 | 173.9 | -74.9 | 175.3 | -16.9 | 0 | 0 | 113 | R511 R512 S517 T518 N519 | R511-Q515 WeakPolarHBondContact O-CG 3.4Å; R511-Q515 PolarHBondContact O-N 3.05Å; R511-Q515 VanDerWaalsContact O-N 3.07Å; R512-Q515 PolarHBondContact O-N 2.92Å; Q515-S517 VanDerWaalsContact C-N 3.31Å; Q515-S517 PolarHBondContact O-N 2.9Å; Q515-T518 PolarHBondContact O-N 2.93Å; Q515-T518 PolarHBondContact O-OG1 3.26Å; Q515-N519 PolarHBondContact O-N 3.31Å |
| 516 | S | 62.8 | Low | 69 | Low | 65 Ų | 65 | 86.1 Ų | 86.1 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.5 | -37.6 | 176.1 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | R512 Y514 T518 N519 H520 | R512-S516 PolarHBondContact O-N 3.23Å; Y514-S516 VanDerWaalsContact C-N 3.34Å; Y514-S516 PolarHBondContact O-N 2.96Å; S516-T518 PolarHBondContact O-N 2.58Å; S516-N519 PolarHBondContact O-N 2.8Å; S516-H520 PolarHBondContact O-N 2.98Å |
| 517 | S | 60 | Low | 67 | Low | 57 Ų | 57 | 85.9 Ų | 85.9 | 40% | 0.399 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.2 | -35.4 | 178.9 | -59.4 | 0 | 0 | 0 | 0 | 112.6 | L513 Y514 Q515 H521 | L513-S517 PolarHBondContact O-N 3.36Å; L513-S517 PolarHBondContact O-OG 3.44Å; L513-S517 VanDerWaalsContact O-OG 3.06Å; Y514-S517 PolarHBondContact O-N 3.13Å; Q515-S517 VanDerWaalsContact C-N 3.31Å; Q515-S517 PolarHBondContact O-N 2.9Å; S517-H521 PolarHBondContact O-N 3.13Å |
| 518 | T | 60.3 | Low | 64.9 | Low | 58 Ų | 58 | 91.9 Ų | 91.9 | 36% | 0.356 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.3 | -45.1 | 173.8 | 51.3 | 0 | 0 | 0 | 0 | 111.6 | Y514 Q515 S516 H520 H521 D522 | Y514-T518 PolarHBondContact O-N 3.1Å; Q515-T518 PolarHBondContact O-N 2.93Å; Q515-T518 PolarHBondContact O-OG1 3.26Å; S516-T518 PolarHBondContact O-N 2.58Å; T518-H520 PolarHBondContact O-N 3.3Å; T518-H521 PolarHBondContact O-N 2.96Å; T518-D522 VanDerWaalsContact O-N 3.17Å; T518-D522 PolarHBondContact O-N 2.81Å |
| 519 | N | 58.3 | Low | 62.7 | Low | 109 Ų | 109 | 92.1 Ų | 92.1 | 58% | 0.583 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.1 | -37.9 | -178.6 | -70 | -7.5 | 0 | 0 | 0 | 112.8 | Q515 S516 H521 S523 | Q515-N519 PolarHBondContact O-N 3.31Å; S516-N519 PolarHBondContact O-N 2.8Å; N519-H521 VanDerWaalsContact C-N 3.3Å; N519-H521 PolarHBondContact O-N 2.94Å; N519-S523 PolarHBondContact O-N 2.86Å; N519-S523 VanDerWaalsContact O-N 3.15Å |
| 520 | H | 54.5 | Low | 60.3 | Low | 141 Ų | 141 | 97.4 Ų | 97.4 | 65% | 0.653 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.7 | -35.5 | 176.8 | -111.8 | -66.1 | 0 | 0 | 0 | 112.2 | S516 T518 N524 | S516-H520 PolarHBondContact O-N 2.98Å; T518-H520 PolarHBondContact O-N 3.3Å; H520-N524 WeakPolarHBondContact O-CB 3.44Å; H520-N524 PolarHBondContact O-N 3.4Å; H520-N524 VanDerWaalsContact O-N 3.17Å |
| 521 | H | 50.3 | Low | 57.8 | Low | 113 Ų | 113 | 99.6 Ų | 99.6 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72 | -41.8 | 179.4 | -106 | -66.2 | 0 | 0 | 0 | 112.6 | S517 T518 N519 S523 N524 N525 | S517-H521 PolarHBondContact O-N 3.13Å; T518-H521 PolarHBondContact O-N 2.96Å; N519-H521 VanDerWaalsContact C-N 3.3Å; N519-H521 PolarHBondContact O-N 2.94Å; H521-S523 VanDerWaalsContact C-N 3.34Å; H521-S523 PolarHBondContact O-N 2.8Å; H521-N524 PolarHBondContact O-N 3.33Å; H521-N525 PolarHBondContact O-N 3.34Å |
| 522 | D | 54.3 | Low | 55.1 | Low | 96 Ų | 96 | 104.2 Ų | 104.2 | 51% | 0.513 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.9 | -38.3 | 177.7 | -71.4 | -23.3 | 0 | 0 | 0 | 111.8 | T518 N524 N525 N526 | T518-D522 VanDerWaalsContact O-N 3.17Å; T518-D522 PolarHBondContact O-N 2.81Å; D522-N524 PolarHBondContact O-N 3.46Å; D522-N525 PolarHBondContact O-N 3.41Å; D522-N526 PolarHBondContact O-N 3.08Å; D522-N526 WeakPolarHBondContact O-CB 3.41Å |
| 523 | S | 53.3 | Low | 52.6 | Low | 69 Ų | 69 | 101.5 Ų | 101.5 | 48% | 0.483 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.8 | -38.4 | 176.1 | -157.4 | 0 | 0 | 0 | 0 | 112.2 | N519 H521 N526 N527 | N519-S523 PolarHBondContact O-N 2.86Å; N519-S523 VanDerWaalsContact O-N 3.15Å; H521-S523 VanDerWaalsContact C-N 3.34Å; H521-S523 PolarHBondContact O-N 2.8Å; S523-N526 PolarHBondContact O-N 2.92Å; S523-N527 PolarHBondContact O-N 3.24Å |
| 524 | N | 49.6 | Very low | 50.4 | Low | 98 Ų | 98 | 101.6 Ų | 101.6 | 52% | 0.524 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71 | -36.1 | 178.3 | -141.3 | 17.8 | 0 | 0 | 0 | 111.9 | H520 H521 D522 N527 N528 | H520-N524 WeakPolarHBondContact O-CB 3.44Å; H520-N524 PolarHBondContact O-N 3.4Å; H520-N524 VanDerWaalsContact O-N 3.17Å; H521-N524 PolarHBondContact O-N 3.33Å; D522-N524 PolarHBondContact O-N 3.46Å; N524-N527 PolarHBondContact O-N 3.26Å; N524-N528 PolarHBondContact O-N 2.98Å; N524-N528 VanDerWaalsContact O-N 3.09Å |
| 525 | N | 48.5 | Very low | 48.3 | Very low | 87 Ų | 87 | 105.5 Ų | 105.5 | 47% | 0.465 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.3 | -37.8 | 175.2 | -129.6 | 7.4 | 0 | 0 | 0 | 111.8 | H521 D522 N528 N529 | H521-N525 PolarHBondContact O-N 3.34Å; D522-N525 PolarHBondContact O-N 3.41Å; N525-N528 PolarHBondContact O-N 3.3Å; N525-N529 WeakPolarHBondContact O-CB 3.43Å; N525-N529 PolarHBondContact O-N 2.87Å; N525-N529 VanDerWaalsContact O-N 3.1Å |
| 526 | N | 48.5 | Very low | 46.2 | Very low | 103 Ų | 103 | 108.7 Ų | 108.7 | 55% | 0.551 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.6 | -35.4 | 174.2 | -80.4 | -10.5 | 0 | 0 | 0 | 112.7 | D522 S523 N529 K530 | D522-N526 PolarHBondContact O-N 3.08Å; D522-N526 WeakPolarHBondContact O-CB 3.41Å; S523-N526 PolarHBondContact O-N 2.92Å; N526-N529 CarbonylContact O-C 3.58Å; N526-N529 PolarHBondContact O-N 3.17Å; N526-K530 PolarHBondContact O-N 3.27Å |
| 527 | N | 50.3 | Low | 44.5 | Very low | 78 Ų | 78 | 111.3 Ų | 111.3 | 42% | 0.417 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.6 | -36.1 | 174.7 | -87.2 | -27.5 | 0 | 0 | 0 | 112.7 | S523 N524 N529 K530 | S523-N527 PolarHBondContact O-N 3.24Å; N524-N527 PolarHBondContact O-N 3.26Å; N527-N529 PolarHBondContact O-N 3.26Å; N527-K530 PolarHBondContact O-N 2.97Å; N527-K530 WeakPolarHBondContact OD1-CE 3.26Å; N527-K530 PolarHBondContact OD1-NZ 2.85Å |
| 528 | N | 47.2 | Very low | 43 | Very low | 130 Ų | 130 | 116 Ų | 116 | 70% | 0.695 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.9 | -18.4 | 172.9 | -74.7 | -10.1 | 0 | 0 | 0 | 113.1 | N524 N525 | N524-N528 PolarHBondContact O-N 2.98Å; N524-N528 VanDerWaalsContact O-N 3.09Å; N525-N528 PolarHBondContact O-N 3.3Å |
| 529 | N | 41.9 | Very low | 41.4 | Very low | 87 Ų | 87 | 118.4 Ų | 118.4 | 47% | 0.465 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.6 | 12.2 | 174.9 | -87.4 | -14 | 0 | 0 | 0 | 114.7 | N525 N526 N527 G531 K532 | N525-N529 WeakPolarHBondContact O-CB 3.43Å; N525-N529 PolarHBondContact O-N 2.87Å; N525-N529 VanDerWaalsContact O-N 3.1Å; N526-N529 CarbonylContact O-C 3.58Å; N526-N529 PolarHBondContact O-N 3.17Å; N527-N529 PolarHBondContact O-N 3.26Å; N529-G531 PolarHBondContact O-N 2.75Å; N529-K532 PolarHBondContact O-N 3.25Å |
| 530 | K | 38.2 | Very low | 39.9 | Very low | 169 Ų | 169 | 119.7 Ų | 119.7 | 74% | 0.735 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | 8.5 | 173.7 | -83.6 | -178.5 | 172.5 | 167.3 | 0 | 115.6 | N526 N527 | N526-K530 PolarHBondContact O-N 3.27Å; N527-K530 PolarHBondContact O-N 2.97Å; N527-K530 WeakPolarHBondContact OD1-CE 3.26Å; N527-K530 PolarHBondContact OD1-NZ 2.85Å |
| 531 | G | 34.7 | Very low | 38.7 | Very low | 70 Ų | 70 | 121.6 Ų | 121.6 | 72% | 0.722 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -5 | 174 | 0 | 0 | 0 | 0 | 0 | 116.7 | N529 | N529-G531 PolarHBondContact O-N 2.75Š|
| 532 | K | 28.1 | Very low | 37.6 | Very low | 173 Ų | 173 | 122.8 Ų | 122.8 | 75% | 0.752 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -142.1 | 131.6 | 175.9 | -75.8 | -173.4 | 177.3 | 177.3 | 0 | 112.1 | N529 I534 | N529-K532 PolarHBondContact O-N 3.25Å; K532-I534 PolarHBondContact O-N 2.84Å; K532-I534 VanDerWaalsContact O-N 3.15Å |
| 533 | P | 32.7 | Very low | 36.3 | Very low | 124 Ų | 124 | 126.1 Ų | 126.1 | 81% | 0.805 | 69% | 0.686 | S | S | * | * | trans | -67.2 | 116.3 | 177.9 | 29.4 | -30.6 | 0 | 0 | 0 | 107.7 | ||||
| 534 | I | 34 | Very low | 35.1 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 62% | 0.615 | 70% | 0.703 | S | S | * | * | trans | -92.3 | 112.5 | 171.5 | -62.8 | 174 | 0 | 0 | 0 | 105.6 | K532 | K532-I534 PolarHBondContact O-N 2.84Å; K532-I534 VanDerWaalsContact O-N 3.15Å | ||
| 535 | D | 32.7 | Very low | 34.1 | Very low | 146 Ų | 146 | 131 Ų | 131 | 78% | 0.781 | 71% | 0.714 | S | S | * | * | trans | -51.5 | 137.5 | 175.2 | -71.6 | -46.3 | 0 | 0 | 0 | 111.2 | C537 | D535-C537 PolarHBondContact O-N 2.94Š| ||
| 536 | Q | 29.1 | Very low | 33 | Very low | 189 Ų | 189 | 135.7 Ų | 135.7 | 88% | 0.883 | 73% | 0.733 | S | S | * | * | trans | -44.7 | 117.4 | -176.4 | -72.7 | 166 | -41.3 | 0 | 0 | 112.5 | I538 | Q536-I538 PolarHBondContact O-N 3.28Š| ||
| 537 | C | 28.4 | Very low | 32 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 119.6 | 161.3 | -70 | 0 | 0 | 0 | 0 | 109.2 | D535 | D535-C537 PolarHBondContact O-N 2.94Š|
| 538 | I | 27.4 | Very low | 30.8 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 128.4 | 173.9 | -60.5 | 166.2 | 0 | 0 | 0 | 108.1 | Q536 V540 | Q536-I538 PolarHBondContact O-N 3.28Å; I538-V540 PolarHBondContact O-N 3.44Å |
| 539 | P | 27.7 | Very low | 29.8 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 128.3 | -175.5 | 27.2 | -31.8 | 0 | 0 | 0 | 110.5 | K541 | P539-K541 VanDerWaalsContact C-N 3.34Å; P539-K541 PolarHBondContact O-N 2.94Å |
| 540 | V | 27.5 | Very low | 29.2 | Very low | 136 Ų | 136 | 145.9 Ų | 145.9 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -66.6 | 92.6 | 171.1 | -179.9 | 0 | 0 | 0 | 0 | 107.5 | I538 | I538-V540 PolarHBondContact O-N 3.44Š| ||
| 541 | K | 28.1 | Very low | 28.7 | Very low | 180 Ų | 180 | 145.9 Ų | 145.9 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -84.2 | 112.5 | 164.4 | -105.8 | -176.6 | 173.5 | -176.5 | 0 | 108.1 | P539 I543 | P539-K541 VanDerWaalsContact C-N 3.34Å; P539-K541 PolarHBondContact O-N 2.94Å; K541-I543 PolarHBondContact O-N 2.9Å | ||
| 542 | D | 28.1 | Very low | 28.6 | Very low | 139 Ų | 139 | 145.9 Ų | 145.9 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | trans | 25.4 | 92.7 | 145.3 | -52.4 | -39.7 | 0 | 0 | 0 | 115.3 | E544 | D542-E544 PolarHBondContact O-N 2.87Š| ||
| 543 | I | 26.8 | Very low | 28.6 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -70.9 | 78.1 | 164 | -58.1 | 171.4 | 0 | 0 | 0 | 106.7 | K541 | K541-I543 PolarHBondContact O-N 2.9Š| ||
| 544 | E | 27.1 | Very low | 28.3 | Very low | 178 Ų | 178 | 146.5 Ų | 146.5 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -112.3 | 103.1 | 161.1 | -84.2 | -171.8 | 159 | 0 | 0 | 108.9 | D542 | D542-E544 PolarHBondContact O-N 2.87Š| ||
| 545 | A | 28.4 | Very low | 28.1 | Very low | 91 Ų | 91 | 148.4 Ų | 148.4 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | S | Bend | trans | 35.5 | 85.9 | 146.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 546 | Q | 26.2 | Very low | 27.9 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | trans | -168 | 153.2 | 136.5 | -109.1 | 161.2 | -5.3 | 0 | 0 | 110.4 | ||||
| 547 | D | 27 | Very low | 27.8 | Very low | 147 Ų | 147 | 144 Ų | 144 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | trans | 85 | 54.1 | 172.3 | -54.8 | -15.8 | 0 | 0 | 0 | 117.7 | M549 | D547-M549 PolarHBondContact O-N 3.22Š| ||
| 548 | I | 26.3 | Very low | 27.7 | Very low | 169 Ų | 169 | 144 Ų | 144 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -74.3 | 80.2 | 138.4 | -55.5 | 171.8 | 0 | 0 | 0 | 107 | ||||
| 549 | M | 26.3 | Very low | 27.7 | Very low | 178 Ų | 178 | 145 Ų | 145 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -172.8 | 89.3 | 159 | -110 | -178.3 | -80.1 | 0 | 0 | 109.1 | D547 | D547-M549 PolarHBondContact O-N 3.22Š| ||
| 550 | S | 29.1 | Very low | 27.6 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -163.8 | 86.4 | 160.1 | 170.6 | 0 | 0 | 0 | 0 | 108.1 | G552 | S550-G552 PolarHBondContact O-N 3.21Š| ||
| 551 | D | 27.9 | Very low | 27.5 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -47.2 | 131 | 161.3 | -73 | -47.6 | 0 | 0 | 0 | 110.5 | ||||
| 552 | G | 30.8 | Very low | 27.4 | Very low | 70 Ų | 70 | 144 Ų | 144 | 72% | 0.722 | 83% | 0.827 | S | S | * | * | trans | 172.7 | -15.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | S550 | S550-G552 PolarHBondContact O-N 3.21Š| ||
| 553 | V | 28 | Very low | 27.3 | Very low | 147 Ų | 147 | 146.4 Ų | 146.4 | 89% | 0.891 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -134.7 | 42.1 | -174.6 | -161 | 0 | 0 | 0 | 0 | 112.8 | ||
| 554 | L | 26.7 | Very low | 27.3 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | trans | -123.4 | 44.2 | 170.2 | -151.8 | 79.5 | 0 | 0 | 0 | 112.8 | ||||
| 555 | N | 29.8 | Very low | 27.2 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -120.7 | 16.9 | 169.4 | -87.5 | -13.3 | 0 | 0 | 0 | 113.7 | ||
| 556 | G | 30 | Very low | 27.1 | Very low | 72 Ų | 72 | 144.7 Ų | 144.7 | 74% | 0.742 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -102.3 | -11.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 557 | L | 26.7 | Very low | 27.1 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 90% | 0.895 | 83% | 0.829 | S | S | * | * | trans | -133 | 16.9 | -164.1 | -77.7 | 165.8 | 0 | 0 | 0 | 115.8 | N559 | L557-N559 PolarHBondContact O-N 3.43Š| ||
| 558 | T | 26.6 | Very low | 27 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | trans | -95 | 68.3 | 171.5 | 57.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 559 | N | 26 | Very low | 27.1 | Very low | 175 Ų | 175 | 139 Ų | 139 | 94% | 0.936 | 82% | 0.819 | S | S | * | * | trans | -143.8 | 63.6 | 159.5 | -108.8 | -12.2 | 0 | 0 | 0 | 109.3 | L557 | L557-N559 PolarHBondContact O-N 3.43Š| ||
| 560 | G | 26.9 | Very low | 27 | Very low | 62 Ų | 62 | 137.7 Ų | 137.7 | 64% | 0.639 | 81% | 0.814 | S | S | * | * | trans | -155.7 | 96.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | C562 | G560-C562 PolarHBondContact O-N 3.09Š| ||
| 561 | K | 25.1 | Very low | 27 | Very low | 214 Ų | 214 | 137.7 Ų | 137.7 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | trans | -56.4 | 93.9 | 173.2 | -73.7 | 173.5 | 174.7 | 175 | 0 | 109.6 | ||||
| 562 | C | 24.8 | Very low | 27 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 86% | 0.858 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 116.6 | 164.7 | -103.1 | 0 | 0 | 0 | 0 | 108.4 | G560 S564 | G560-C562 PolarHBondContact O-N 3.09Å; C562-S564 PolarHBondContact O-N 3.47Å |
| 563 | H | 26 | Very low | 26.9 | Very low | 190 Ų | 190 | 140.2 Ų | 140.2 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 131.1 | 177.2 | -90.2 | -100.4 | 0 | 0 | 0 | 111.5 | L565 | H563-L565 PolarHBondContact O-N 3.43Š|
| 564 | S | 27.7 | Very low | 26.9 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -64 | 123.7 | 178.5 | 54.4 | 0 | 0 | 0 | 0 | 111.5 | C562 | C562-S564 PolarHBondContact O-N 3.47Š|
| 565 | L | 24.9 | Very low | 26.9 | Very low | 163 Ų | 163 | 139 Ų | 139 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -81.2 | 115.7 | 158.1 | -84.8 | 158.1 | 0 | 0 | 0 | 107.4 | H563 H567 | H563-L565 PolarHBondContact O-N 3.43Å; L565-H567 PolarHBondContact O-N 3.38Å; L565-H567 VanDerWaalsContact O-N 3.09Å | ||
| 566 | V | 26.1 | Very low | 26.9 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | trans | -65.6 | 101.2 | 178.7 | 175.5 | 0 | 0 | 0 | 0 | 108.9 | S568 | V566-S568 PolarHBondContact O-N 3.23Š| ||
| 567 | H | 26.1 | Very low | 26.7 | Very low | 176 Ų | 176 | 143 Ų | 143 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | trans | -82.3 | 101.4 | 163.3 | -105.4 | -84.3 | 0 | 0 | 0 | 108.4 | L565 S569 | L565-H567 PolarHBondContact O-N 3.38Å; L565-H567 VanDerWaalsContact O-N 3.09Å; H567-S569 PolarHBondContact O-N 3.31Å | ||
| 568 | S | 25.7 | Very low | 26.9 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -81.6 | 84.4 | 167.2 | 58.3 | 0 | 0 | 0 | 0 | 109.2 | V566 | V566-S568 PolarHBondContact O-N 3.23Š| ||
| 569 | S | 27.7 | Very low | 26.9 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -82.8 | 109.6 | 166 | 29.3 | 0 | 0 | 0 | 0 | 109.2 | H567 | H567-S569 PolarHBondContact O-N 3.31Š| ||
| 570 | I | 25 | Very low | 27 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -66.5 | 131.3 | 172 | -64.7 | 169.1 | 0 | 0 | 0 | 108.1 | ||||
| 571 | P | 28.3 | Very low | 27.1 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -77 | 129 | -173.3 | 29 | -28.7 | 0 | 0 | 0 | 110.7 | ||||
| 572 | I | 28.9 | Very low | 27.3 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -91.2 | 112.3 | 172.4 | -62.4 | 173.1 | 0 | 0 | 0 | 106.7 | N574 | I572-N574 PolarHBondContact O-N 3.05Š| ||
| 573 | D | 27.2 | Very low | 27.5 | Very low | 148 Ų | 148 | 142.4 Ų | 142.4 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -62.3 | 99 | 173.2 | -94.5 | -34 | 0 | 0 | 0 | 110.3 | N575 | D573-N575 VanDerWaalsContact C-N 3.34Å; D573-N575 PolarHBondContact O-N 2.87Å | ||
| 574 | N | 29.5 | Very low | 27.9 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -86.4 | 73.3 | 170.4 | -79.7 | -18 | 0 | 0 | 0 | 110 | I572 | I572-N574 PolarHBondContact O-N 3.05Š| ||
| 575 | N | 26.5 | Very low | 28.1 | Very low | 140 Ų | 140 | 142 Ų | 142 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -104.2 | 68.1 | 164 | -87.2 | -22.1 | 0 | 0 | 0 | 109.8 | D573 | D573-N575 VanDerWaalsContact C-N 3.34Å; D573-N575 PolarHBondContact O-N 2.87Å | ||
| 576 | L | 28.9 | Very low | 28.2 | Very low | 167 Ų | 167 | 142.7 Ų | 142.7 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -119.3 | 97.7 | 160.2 | -92.7 | 108.9 | 0 | 0 | 0 | 109.1 | ||||
| 577 | I | 26.7 | Very low | 28.4 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | trans | -60.1 | 124.3 | 171.6 | -61.9 | 162.9 | 0 | 0 | 0 | 108.5 | L579 | I577-L579 PolarHBondContact O-N 3.47Š| ||
| 578 | P | 30.3 | Very low | 28.8 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | trans | -83.2 | 106.9 | 176.8 | 30.5 | -28.5 | 0 | 0 | 0 | 110.2 | ||||
| 579 | L | 25.8 | Very low | 29 | Very low | 157 Ų | 157 | 148.1 Ų | 148.1 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | trans | -85.3 | 105.6 | 164.2 | -87.2 | 145.6 | 0 | 0 | 0 | 108.1 | I577 | I577-L579 PolarHBondContact O-N 3.47Š| ||
| 580 | I | 28 | Very low | 29.1 | Very low | 152 Ų | 152 | 150.4 Ų | 150.4 | 78% | 0.779 | 83% | 0.827 | S | S | * | * | trans | -166.2 | 87.8 | 142.9 | -82.5 | 135.8 | 0 | 0 | 0 | 104.7 | T582 | I580-T582 HydrophobicContact CG2-CG2 4.42Å; I580-T582 PolarHBondContact O-N 3.5Å | ||
| 581 | D | 29.2 | Very low | 29.3 | Very low | 171 Ų | 171 | 150.4 Ų | 150.4 | 91% | 0.914 | 83% | 0.83 | S | S | * | * | trans | -86.2 | 100.9 | 167.1 | -121.5 | -20.2 | 0 | 0 | 0 | 106.8 | ||||
| 582 | T | 29.6 | Very low | 29.4 | Very low | 109 Ų | 109 | 152.4 Ų | 152.4 | 67% | 0.669 | 83% | 0.834 | S | S | * | * | trans | -130.1 | 88.4 | 169 | 38.4 | 0 | 0 | 0 | 0 | 107.4 | I580 | I580-T582 HydrophobicContact CG2-CG2 4.42Å; I580-T582 PolarHBondContact O-N 3.5Å | ||
| 583 | N | 29.5 | Very low | 29.4 | Very low | 146 Ų | 146 | 152.8 Ų | 152.8 | 78% | 0.781 | 84% | 0.84 | S | S | * | * | trans | -161.9 | 76.8 | 157 | -90.5 | -29.6 | 0 | 0 | 0 | 108.8 | Q585 | N583-Q585 VanDerWaalsContact C-N 3.26Å; N583-Q585 PolarHBondContact O-N 3.07Å | ||
| 584 | A | 34.2 | Very low | 29.5 | Very low | 111 Ų | 111 | 153.1 Ų | 153.1 | 92% | 0.917 | 84% | 0.843 | S | S | * | * | trans | -72.1 | 88.9 | 158.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 585 | Q | 32.2 | Very low | 29.5 | Very low | 176 Ų | 176 | 153.8 Ų | 153.8 | 82% | 0.822 | 85% | 0.848 | S | S | * | * | trans | -79.9 | 121.5 | 165.7 | -87.9 | -179.3 | -26.3 | 0 | 0 | 109.1 | N583 | N583-Q585 VanDerWaalsContact C-N 3.26Å; N583-Q585 PolarHBondContact O-N 3.07Å | ||
| 586 | M | 27.5 | Very low | 29.8 | Very low | 179 Ų | 179 | 154.8 Ų | 154.8 | 88% | 0.882 | 86% | 0.856 | S | S | * | * | trans | -51.6 | 133.9 | 156.9 | -70.3 | 169.8 | 168.9 | 0 | 0 | 110.1 | ||||
| 587 | T | 30.2 | Very low | 29.8 | Very low | 131 Ų | 131 | 153.8 Ų | 153.8 | 80% | 0.804 | 85% | 0.854 | S | S | * | * | trans | -173 | 133 | 130.1 | 36.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 588 | D | 34.7 | Very low | 30.1 | Very low | 241 Ų | 241 | 154.3 Ų | 154.3 | 100% | 1.289 | 86% | 0.862 | S | S | * | * | trans | 81.2 | 0 | 177 | -58.1 | -12.7 | 0 | 0 | 0 | 118.7 |
Retrieved 588 of 588 residues in 191.8 ms
(Link to these results)