| 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 | 36.8 | Very low | 53.4 | Low | 181 Ų | 181 | 72.5 Ų | 72.5 | 89% | 0.892 | 40% | 0.4 | S | S | * | . | 0 | 87.2 | 0 | -70 | 176.4 | 180 | 0 | 0 | 108.6 | |||||
| 2 | G | 35.7 | Very low | 55 | Low | 63 Ų | 63 | 67.8 Ų | 67.8 | 65% | 0.649 | 37% | 0.372 | S | S | * | . | trans | -109.2 | -8.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 3 | S | 37.7 | Very low | 56.7 | Low | 45 Ų | 45 | 66.9 Ų | 66.9 | 32% | 0.315 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -104.4 | 8.3 | -161.5 | -9.5 | 0 | 0 | 0 | 0 | 115.1 | H184 | S3-H184 WeakPolarHBondContact CB-O 3.48Å; S3-H184 PolarHBondContact OG-O 3.44Å |
| 4 | F | 51.3 | Low | 58.4 | Low | 51 Ų | 51 | 71.1 Ų | 71.1 | 22% | 0.224 | 39% | 0.393 | C | S | . | . | trans | -92.2 | -3.1 | -174.9 | -158.8 | -100.2 | 0 | 0 | 0 | 114 | M6 Y94 W98 H184 | F4-M6 PolarHBondContact O-N 2.93Å; F4-Y94 HydrophobicContact CB-CE1 4.19Å; F4-Y94 AromaticContact CD1-CD1 3.2Å; F4-Y94 HydrophobicContact CD1-CD1 3.2Å; F4-Y94 AromaticContact CD1-CE1 3.27Å; F4-Y94 HydrophobicContact CD1-CE1 3.27Å; F4-Y94 HydrophobicContact CD1-CG 4.21Å; F4-Y94 AromaticContact CE1-CD1 3.11Å; F4-Y94 HydrophobicContact CE1-CD1 3.11Å; F4-Y94 AromaticContact CE1-CE1 3.6Å; F4-Y94 HydrophobicContact CE1-CE1 3.6Å; F4-Y94 AromaticContact CE1-CG 3.68Å; F4-Y94 HydrophobicContact CE1-CG 3.68Å; F4-Y94 HydrophobicContact CG-CD1 4.12Å; F4-Y94 AromaticContact CG-CE1 3.75Å; F4-Y94 HydrophobicContact CG-CE1 3.75Å; F4-Y94 HydrophobicContact CZ-CD1 4Å; F4-Y94 HydrophobicContact CZ-CE1 4.33Å; F4-Y94 HydrophobicContact CZ-CG 4.26Å; F4-W98 HydrophobicContact CD1-CZ2 4.25Å; F4-W98 AromaticContact CE1-CE2 3.59Å; F4-W98 AromaticContact CE1-CH2 3.62Å; F4-W98 HydrophobicContact CE1-CH2 3.62Å; F4-W98 AromaticContact CE1-CZ2 3.07Å; F4-W98 HydrophobicContact CE1-CZ2 3.07Å; F4-W98 HydrophobicContact CE1-CZ3 4.49Å; F4-W98 HydrophobicContact CE2-CZ2 4.26Å; F4-W98 AromaticContact CZ-CH2 3.34Å; F4-W98 HydrophobicContact CZ-CH2 3.34Å; F4-W98 AromaticContact CZ-CZ2 3.1Å; F4-W98 HydrophobicContact CZ-CZ2 3.1Å; F4-W98 HydrophobicContact CZ-CZ3 4.45Å; F4-H184 AromaticContact CD2-CE1 3.94Å | ||
| 5 | W | 52.5 | Low | 59.9 | Low | 142 Ų | 142 | 71.1 Ų | 71.1 | 54% | 0.538 | 40% | 0.399 | S | S | . | . | trans | -95.6 | 76.1 | -170.2 | -67.7 | 96.7 | 0 | 0 | 0 | 111.9 | P7 V97 | W5-P7 WeakPolarHBondContact O-CD 3.39Å; W5-V97 HydrophobicContact CE3-CG1 3.83Å; W5-V97 HydrophobicContact CH2-CB 4.07Å; W5-V97 HydrophobicContact CH2-CG1 3.46Å; W5-V97 VanDerWaalsContact CH2-CG1 3.46Å; W5-V97 HydrophobicContact CH2-CG2 3.39Å; W5-V97 HydrophobicContact CZ2-CG1 4.42Å; W5-V97 HydrophobicContact CZ2-CG2 4.21Å; W5-V97 HydrophobicContact CZ3-CB 4.18Å; W5-V97 HydrophobicContact CZ3-CG1 3.11Å; W5-V97 HydrophobicContact CZ3-CG2 3.98Å | ||
| 6 | M | 55.5 | Low | 61.2 | Low | 54 Ų | 54 | 70.9 Ų | 70.9 | 27% | 0.266 | 39% | 0.39 | S | S | . | . | trans | -99.5 | 101.5 | 154.3 | -82.6 | -170.5 | 177.2 | 0 | 0 | 107.9 | F4 I10 W183 | F4-M6 PolarHBondContact O-N 2.93Å; M6-I10 HydrophobicContact CB-CG2 3.75Å; M6-I10 HydrophobicContact CG-CG2 3.86Å; M6-I10 HydrophobicContact SD-CG2 4.05Å; M6-W183 HydrophobicContact CE-CZ2 3.57Å; M6-W183 HydrophobicContact CG-CH2 4.44Å; M6-W183 HydrophobicContact CG-CZ2 3.8Å; M6-W183 HydrophobicContact SD-CH2 4.34Å; M6-W183 HydrophobicContact SD-CZ2 3.44Å; M6-W183 WeakPolarHBondContact SD-CZ2 3.27Å | ||
| 7 | P | 59.9 | Low | 62.4 | Low | 59 Ų | 59 | 71.9 Ų | 71.9 | 38% | 0.383 | 39% | 0.39 | S | S | . | . | trans | -61.3 | 141.5 | 172.6 | 18.8 | -21 | 0 | 0 | 0 | 108.6 | W5 C9 I10 | W5-P7 WeakPolarHBondContact O-CD 3.39Å; P7-C9 PolarHBondContact O-N 3Å; P7-I10 WeakPolarHBondContact O-CG2 3.4Å; P7-I10 PolarHBondContact O-N 3.4Å | ||
| 8 | P | 66.1 | Low | 63.7 | Low | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -17.7 | -172.8 | 18.8 | -31 | 0 | 0 | 0 | 115.3 | I10 A101 E102 V126 N128 | P8-I10 VanDerWaalsContact C-N 3.33Å; P8-A101 HydrophobicContact CG-CB 3.81Å; P8-E102 HydrophobicContact CB-CG 4.41Å; P8-E102 HydrophobicContact CG-CG 4.15Å; P8-V126 HydrophobicContact CB-CB 4.16Å; P8-V126 WeakPolarHBondContact CB-O 3.46Å; P8-N128 VanDerWaalsContact CA-ND2 3.26Å; P8-N128 WeakPolarHBondContact CA-ND2 3.42Å; P8-N128 HydrophobicContact CB-CB 4.28Å; P8-N128 WeakPolarHBondContact CB-ND2 3.22Å |
| 9 | C | 63.4 | Low | 64.7 | Low | 58 Ų | 58 | 76.6 Ų | 76.6 | 39% | 0.392 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -28.9 | 172.7 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | P7 D11 Y12 L110 | P7-C9 PolarHBondContact O-N 3Å; C9-D11 VanDerWaalsContact C-N 3.27Å; C9-D11 PolarHBondContact O-N 3.24Å; C9-Y12 WeakPolarHBondContact O-CB 3.1Å; C9-Y12 PolarHBondContact O-N 3.31Å; C9-L110 HydrophobicContact CB-CD1 4.45Å |
| 10 | I | 63.2 | Low | 65.6 | Low | 108 Ų | 108 | 74.6 Ų | 74.6 | 55% | 0.554 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -27.4 | -177.7 | -154.1 | 169 | 0 | 0 | 0 | 112.1 | M6 P7 P8 Y12 | M6-I10 HydrophobicContact CB-CG2 3.75Å; M6-I10 HydrophobicContact CG-CG2 3.86Å; M6-I10 HydrophobicContact SD-CG2 4.05Å; P7-I10 WeakPolarHBondContact O-CG2 3.4Å; P7-I10 PolarHBondContact O-N 3.4Å; P8-I10 VanDerWaalsContact C-N 3.33Å; I10-Y12 VanDerWaalsContact C-N 3.29Å |
| 11 | D | 65.6 | Low | 66.5 | Low | 36 Ų | 36 | 76.4 Ų | 76.4 | 19% | 0.193 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -3.3 | 178.5 | -57.2 | -47.6 | 0 | 0 | 0 | 112.5 | C9 P13 N128 N150 | C9-D11 VanDerWaalsContact C-N 3.27Å; C9-D11 PolarHBondContact O-N 3.24Å; D11-P13 WeakPolarHBondContact O-CD 3.05Å; D11-N128 PolarHBondContact OD2-ND2 2.87Å; D11-N150 HydrophobicContact CB-CB 3.52Å |
| 12 | Y | 72.3 | Confident | 68.7 | Low | 16 Ų | 16 | 73.1 Ų | 73.1 | 6% | 0.063 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -71 | 121.8 | -178.5 | -166.8 | -117.3 | 0 | 0 | 0 | 110 | C9 I10 L14 R16 F17 L110 V126 | C9-Y12 WeakPolarHBondContact O-CB 3.1Å; C9-Y12 PolarHBondContact O-N 3.31Å; I10-Y12 VanDerWaalsContact C-N 3.29Å; Y12-L14 PolarHBondContact O-N 3.45Å; Y12-R16 HydrophobicContact CD1-CB 4.47Å; Y12-R16 HydrophobicContact CE1-CB 3.74Å; Y12-R16 HydrophobicContact CE2-CB 3.97Å; Y12-R16 VanDerWaalsContact CZ-CB 3.45Å; Y12-R16 WeakPolarHBondContact OH-CB 3.26Å; Y12-F17 HydrophobicContact CD1-CB 3.96Å; Y12-F17 HydrophobicContact CE1-CB 4.02Å; Y12-L110 HydrophobicContact CD1-CD2 3.99Å; Y12-L110 HydrophobicContact CE1-CD2 3.93Å; Y12-V126 HydrophobicContact CD2-CG1 3.51Å; Y12-V126 HydrophobicContact CE2-CG1 4.15Å; Y12-V126 HydrophobicContact CG-CG1 4.07Å |
| 13 | P | 76.6 | Confident | 70.7 | Confident | 57 Ų | 57 | 71.6 Ų | 71.6 | 37% | 0.37 | 37% | 0.367 | S | S | . | . | trans | -58.8 | 131.7 | -176.8 | -25 | 33.6 | 0 | 0 | 0 | 112.2 | D11 S15 R16 F17 | D11-P13 WeakPolarHBondContact O-CD 3.05Å; P13-S15 PolarHBondContact O-N 3.44Å; P13-S15 VanDerWaalsContact O-N 3.08Å; P13-R16 HydrophobicContact CB-CG 4.29Å; P13-R16 HydrophobicContact CG-CG 4.47Å; P13-R16 PolarHBondContact O-N 3.15Å; P13-F17 PolarHBondContact O-N 3.28Å | ||
| 14 | L | 80.7 | Confident | 72.7 | Confident | 126 Ų | 126 | 74.7 Ų | 74.7 | 66% | 0.66 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -54.2 | -31.6 | 177.7 | -73.2 | 172.1 | 0 | 0 | 0 | 113.2 | Y12 F17 R18 | Y12-L14 PolarHBondContact O-N 3.45Å; L14-F17 PolarHBondContact O-N 3.44Å; L14-R18 WeakPolarHBondContact O-CG 3.45Å; L14-R18 PolarHBondContact O-N 2.82Å |
| 15 | S | 80.9 | Confident | 73.9 | Confident | 70 Ų | 70 | 73.2 Ų | 73.2 | 49% | 0.49 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 174.4 | 53.4 | 0 | 0 | 0 | 0 | 111.7 | P13 F17 R18 Q19 | P13-S15 PolarHBondContact O-N 3.44Å; P13-S15 VanDerWaalsContact O-N 3.08Å; S15-F17 VanDerWaalsContact C-N 3.31Å; S15-F17 PolarHBondContact O-N 3.08Å; S15-R18 WeakPolarHBondContact O-CB 3.38Å; S15-R18 PolarHBondContact O-N 3.16Å; S15-Q19 WeakPolarHBondContact O-CG 3.43Å; S15-Q19 PolarHBondContact O-N 3.1Å |
| 16 | R | 80.5 | Confident | 75 | Confident | 69 Ų | 69 | 68.3 Ų | 68.3 | 26% | 0.26 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.3 | -35.7 | 177.8 | -65.9 | -172.6 | 173.9 | -171.6 | -10.3 | 112 | Y12 P13 R18 Q19 L20 | Y12-R16 HydrophobicContact CD1-CB 4.47Å; Y12-R16 HydrophobicContact CE1-CB 3.74Å; Y12-R16 HydrophobicContact CE2-CB 3.97Å; Y12-R16 VanDerWaalsContact CZ-CB 3.45Å; Y12-R16 WeakPolarHBondContact OH-CB 3.26Å; P13-R16 HydrophobicContact CB-CG 4.29Å; P13-R16 HydrophobicContact CG-CG 4.47Å; P13-R16 PolarHBondContact O-N 3.15Å; R16-R18 VanDerWaalsContact C-N 3.33Å; R16-R18 PolarHBondContact O-N 3.26Å; R16-Q19 PolarHBondContact O-N 2.97Å; R16-L20 PolarHBondContact O-N 3Å |
| 17 | F | 82.8 | Confident | 75.7 | Confident | 87 Ų | 87 | 68 Ų | 68 | 38% | 0.382 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 172.4 | -174.6 | -114.6 | 0 | 0 | 0 | 112.1 | Y12 P13 L14 S15 L20 I21 L110 | Y12-F17 HydrophobicContact CD1-CB 3.96Å; Y12-F17 HydrophobicContact CE1-CB 4.02Å; P13-F17 PolarHBondContact O-N 3.28Å; L14-F17 PolarHBondContact O-N 3.44Å; S15-F17 VanDerWaalsContact C-N 3.31Å; S15-F17 PolarHBondContact O-N 3.08Å; F17-L20 PolarHBondContact O-N 3.1Å; F17-I21 HydrophobicContact CD1-CD1 3.7Å; F17-I21 HydrophobicContact CE1-CD1 3.25Å; F17-I21 HydrophobicContact CE1-CG1 4.38Å; F17-I21 HydrophobicContact CE2-CD1 4.13Å; F17-I21 HydrophobicContact CE2-CG1 4.5Å; F17-I21 HydrophobicContact CG-CD1 4.32Å; F17-I21 HydrophobicContact CZ-CD1 3.5Å; F17-I21 VanDerWaalsContact CZ-CD1 3.5Å; F17-I21 HydrophobicContact CZ-CG1 4.29Å; F17-I21 WeakPolarHBondContact O-CG1 3.17Å; F17-I21 PolarHBondContact O-N 3.5Å; F17-L110 HydrophobicContact CD2-CD2 3.77Å; F17-L110 HydrophobicContact CE2-CD2 4.07Å |
| 18 | R | 84.9 | Confident | 76.1 | Confident | 169 Ų | 169 | 71.3 Ų | 71.3 | 64% | 0.638 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.2 | -42.5 | 172.9 | -72 | 175.6 | -174.5 | 168.1 | 1 | 112.2 | L14 S15 R16 L20 I21 N22 | L14-R18 WeakPolarHBondContact O-CG 3.45Å; L14-R18 PolarHBondContact O-N 2.82Å; S15-R18 WeakPolarHBondContact O-CB 3.38Å; S15-R18 PolarHBondContact O-N 3.16Å; R16-R18 VanDerWaalsContact C-N 3.33Å; R16-R18 PolarHBondContact O-N 3.26Å; R18-L20 VanDerWaalsContact C-N 3.29Å; R18-L20 PolarHBondContact O-N 3.23Å; R18-I21 PolarHBondContact O-N 3.18Å; R18-N22 VanDerWaalsContact O-CB 3.27Å; R18-N22 WeakPolarHBondContact O-CB 3.27Å; R18-N22 PolarHBondContact O-N 3.35Å; R18-N22 PolarHBondContact O-ND2 3.25Å; R18-N22 PolarHBondContact O-OD1 2.96Å |
| 19 | Q | 83.2 | Confident | 76.1 | Confident | 65 Ų | 65 | 75.6 Ų | 75.6 | 30% | 0.304 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.8 | -40.6 | 176.4 | -66.4 | -177.7 | -16.6 | 0 | 0 | 111.8 | S15 R16 N22 G23 E24 Y25 | S15-Q19 WeakPolarHBondContact O-CG 3.43Å; S15-Q19 PolarHBondContact O-N 3.1Å; R16-Q19 PolarHBondContact O-N 2.97Å; Q19-N22 PolarHBondContact O-N 3.4Å; Q19-G23 PolarHBondContact O-N 2.79Å; Q19-E24 HydrophobicContact CB-CB 4.22Å; Q19-E24 HydrophobicContact CB-CG 4.44Å; Q19-E24 WeakPolarHBondContact CG-OE2 3.42Å; Q19-E24 WeakPolarHBondContact O-CB 3.42Å; Q19-E24 PolarHBondContact O-N 2.75Å; Q19-Y25 HydrophobicContact CB-CE2 3.83Å; Q19-Y25 PolarHBondContact OE1-OH 3.37Å |
| 20 | L | 82.3 | Confident | 76.4 | Confident | 36 Ų | 36 | 75.6 Ų | 75.6 | 19% | 0.188 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.6 | -47.4 | 174.5 | -178.3 | 67.1 | 0 | 0 | 0 | 111.9 | R16 F17 R18 N22 G23 Y25 L110 | R16-L20 PolarHBondContact O-N 3Å; F17-L20 PolarHBondContact O-N 3.1Å; R18-L20 VanDerWaalsContact C-N 3.29Å; R18-L20 PolarHBondContact O-N 3.23Å; L20-N22 VanDerWaalsContact C-N 3.3Å; L20-N22 PolarHBondContact O-N 2.93Å; L20-G23 PolarHBondContact O-N 3.06Å; L20-G23 VanDerWaalsContact O-N 3.15Å; L20-Y25 HydrophobicContact CB-CD2 3.88Å; L20-Y25 HydrophobicContact CB-CE2 4.16Å; L20-Y25 HydrophobicContact CD1-CD2 3.91Å; L20-L110 HydrophobicContact CD2-CD2 3.64Å; L20-L110 HydrophobicContact CD2-CG 4.31Å |
| 21 | I | 83.7 | Confident | 76.8 | Confident | 112 Ų | 112 | 79.8 Ų | 79.8 | 57% | 0.574 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.5 | -37.2 | 177.6 | -69.9 | 169.5 | 0 | 0 | 0 | 111.5 | F17 R18 G23 | F17-I21 HydrophobicContact CD1-CD1 3.7Å; F17-I21 HydrophobicContact CE1-CD1 3.25Å; F17-I21 HydrophobicContact CE1-CG1 4.38Å; F17-I21 HydrophobicContact CE2-CD1 4.13Å; F17-I21 HydrophobicContact CE2-CG1 4.5Å; F17-I21 HydrophobicContact CG-CD1 4.32Å; F17-I21 HydrophobicContact CZ-CD1 3.5Å; F17-I21 VanDerWaalsContact CZ-CD1 3.5Å; F17-I21 HydrophobicContact CZ-CG1 4.29Å; F17-I21 WeakPolarHBondContact O-CG1 3.17Å; F17-I21 PolarHBondContact O-N 3.5Å; R18-I21 PolarHBondContact O-N 3.18Å; I21-G23 PolarHBondContact O-N 3.26Å |
| 22 | N | 84.1 | Confident | 77.3 | Confident | 112 Ų | 112 | 83.1 Ų | 83.1 | 60% | 0.599 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -3.8 | 178.6 | -68.6 | -11.8 | 0 | 0 | 0 | 113 | R18 Q19 L20 E24 | R18-N22 VanDerWaalsContact O-CB 3.27Å; R18-N22 WeakPolarHBondContact O-CB 3.27Å; R18-N22 PolarHBondContact O-N 3.35Å; R18-N22 PolarHBondContact O-ND2 3.25Å; R18-N22 PolarHBondContact O-OD1 2.96Å; Q19-N22 PolarHBondContact O-N 3.4Å; L20-N22 VanDerWaalsContact C-N 3.3Å; L20-N22 PolarHBondContact O-N 2.93Å; N22-E24 VanDerWaalsContact C-N 3.31Å; N22-E24 HydrophobicContact CB-CG 4.23Å; N22-E24 PolarHBondContact O-N 3Å |
| 23 | G | 78.6 | Confident | 77.5 | Confident | 31 Ų | 31 | 87 Ų | 87 | 32% | 0.32 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 14.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q19 L20 I21 Y25 S26 | Q19-G23 PolarHBondContact O-N 2.79Å; L20-G23 PolarHBondContact O-N 3.06Å; L20-G23 VanDerWaalsContact O-N 3.15Å; I21-G23 PolarHBondContact O-N 3.26Å; G23-Y25 PolarHBondContact O-N 3.2Å; G23-Y25 VanDerWaalsContact O-N 3.1Å; G23-S26 WeakPolarHBondContact O-CB 3.44Å; G23-S26 PolarHBondContact O-N 2.85Å; G23-S26 VanDerWaalsContact O-N 3.08Å; G23-S26 PolarHBondContact O-OG 3.34Å |
| 24 | E | 79.3 | Confident | 77.6 | Confident | 110 Ų | 110 | 84.7 Ų | 84.7 | 51% | 0.514 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17 | 179.7 | -66.4 | 178.3 | -149.7 | 0 | 0 | 112.9 | Q19 N22 | Q19-E24 HydrophobicContact CB-CB 4.22Å; Q19-E24 HydrophobicContact CB-CG 4.44Å; Q19-E24 WeakPolarHBondContact CG-OE2 3.42Å; Q19-E24 WeakPolarHBondContact O-CB 3.42Å; Q19-E24 PolarHBondContact O-N 2.75Å; N22-E24 VanDerWaalsContact C-N 3.31Å; N22-E24 HydrophobicContact CB-CG 4.23Å; N22-E24 PolarHBondContact O-N 3Å |
| 25 | Y | 76.5 | Confident | 77.7 | Confident | 20 Ų | 20 | 83.7 Ų | 83.7 | 8% | 0.078 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 3.3 | 178.7 | -63 | -41.9 | 0 | 0 | 0 | 113.9 | Q19 L20 G23 H112 I114 | Q19-Y25 HydrophobicContact CB-CE2 3.83Å; Q19-Y25 PolarHBondContact OE1-OH 3.37Å; L20-Y25 HydrophobicContact CB-CD2 3.88Å; L20-Y25 HydrophobicContact CB-CE2 4.16Å; L20-Y25 HydrophobicContact CD1-CD2 3.91Å; G23-Y25 PolarHBondContact O-N 3.2Å; G23-Y25 VanDerWaalsContact O-N 3.1Å; Y25-H112 VanDerWaalsContact CB-ND1 3.27Å; Y25-H112 WeakPolarHBondContact CB-ND1 3.09Å; Y25-H112 AromaticContact CD1-CE1 3.66Å; Y25-H112 AromaticContact CD1-ND1 3.14Å; Y25-H112 WeakPolarHBondContact CD1-ND1 3.35Å; Y25-H112 HydrophobicContact CD2-CB 4.44Å; Y25-H112 AromaticContact CD2-ND1 3.83Å; Y25-H112 AromaticContact CE1-ND1 3.89Å; Y25-H112 AromaticContact CG-CE1 3.87Å; Y25-H112 AromaticContact CG-ND1 3.12Å; Y25-I114 HydrophobicContact CD1-CD1 4.27Å |
| 26 | S | 74.3 | Confident | 78.1 | Confident | 40 Ų | 40 | 81 Ų | 81 | 28% | 0.28 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -64.5 | 151.1 | 174.2 | -61.6 | 0 | 0 | 0 | 0 | 110.4 | G23 E32 | G23-S26 WeakPolarHBondContact O-CB 3.44Å; G23-S26 PolarHBondContact O-N 2.85Å; G23-S26 VanDerWaalsContact O-N 3.08Å; G23-S26 PolarHBondContact O-OG 3.34Å; S26-E32 WeakPolarHBondContact CA-O 3.44Å; S26-E32 WeakPolarHBondContact CB-O 3.5Å |
| 27 | K | 71.1 | Confident | 78.5 | Confident | 46 Ų | 46 | 81.7 Ų | 81.7 | 20% | 0.2 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -58 | 136.5 | -179.2 | -76.7 | 177.3 | -167.3 | 175.1 | 0 | 110.3 | G29 T30 E32 D35 | K27-G29 PolarHBondContact O-N 3.43Å; K27-G29 VanDerWaalsContact O-N 3.1Å; K27-T30 WeakPolarHBondContact CB-OG1 3.14Å; K27-T30 CarbonylContact O-C 3.55Å; K27-T30 PolarHBondContact O-N 2.86Å; K27-T30 PolarHBondContact O-OG1 3.08Å; K27-E32 HydrophobicContact CD-CB 4.5Å; K27-E32 PolarHBondContact N-O 2.97Å; K27-E32 VanDerWaalsContact N-O 3.16Å; K27-E32 IonicContact NZ-OE2 2.66Å; K27-D35 VanDerWaalsContact CE-OD1 3.26Å; K27-D35 WeakPolarHBondContact CE-OD1 3.46Å; K27-D35 WeakPolarHBondContact CE-OD2 3.32Å; K27-D35 IonicContact NZ-OD1 2.97Å; K27-D35 PolarHBondContact NZ-OD1 3.31Å; K27-D35 IonicContact NZ-OD2 3.74Å; K27-D35 PolarHBondContact NZ-OD2 3.11Å |
| 28 | P | 67.8 | Low | 78.9 | Confident | 129 Ų | 129 | 83.3 Ų | 83.3 | 84% | 0.838 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 120.9 | -178.5 | -25.5 | 33.5 | 0 | 0 | 0 | 112.2 | T30 | P28-T30 VanDerWaalsContact C-N 3.34Š|
| 29 | G | 67.2 | Low | 79.1 | Confident | 90 Ų | 90 | 77 Ų | 77 | 93% | 0.928 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | -0.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | K27 | K27-G29 PolarHBondContact O-N 3.43Å; K27-G29 VanDerWaalsContact O-N 3.1Å |
| 30 | T | 68.4 | Low | 79.5 | Confident | 58 Ų | 58 | 74.1 Ų | 74.1 | 36% | 0.356 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -134.1 | 132 | 175 | 55.1 | 0 | 0 | 0 | 0 | 108.9 | K27 P28 E32 | K27-T30 WeakPolarHBondContact CB-OG1 3.14Å; K27-T30 CarbonylContact O-C 3.55Å; K27-T30 PolarHBondContact O-N 2.86Å; K27-T30 PolarHBondContact O-OG1 3.08Å; P28-T30 VanDerWaalsContact C-N 3.34Å; T30-E32 PolarHBondContact O-N 3.45Å |
| 31 | E | 71.2 | Confident | 80.1 | Confident | 196 Ų | 196 | 76.2 Ų | 76.2 | 92% | 0.916 | 45% | 0.446 | S | S | * | . | trans | -69.5 | 11.1 | 171.6 | -65.3 | -176.7 | 169.1 | 0 | 0 | 112.8 | ||||
| 32 | E | 77.9 | Confident | 80.4 | Confident | 106 Ų | 106 | 73 Ų | 73 | 50% | 0.495 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -70 | 143.4 | 178.2 | -68.6 | -176.4 | -176.6 | 0 | 0 | 112.4 | S26 K27 T30 | S26-E32 WeakPolarHBondContact CA-O 3.44Å; S26-E32 WeakPolarHBondContact CB-O 3.5Å; K27-E32 HydrophobicContact CD-CB 4.5Å; K27-E32 PolarHBondContact N-O 2.97Å; K27-E32 VanDerWaalsContact N-O 3.16Å; K27-E32 IonicContact NZ-OE2 2.66Å; T30-E32 PolarHBondContact O-N 3.45Å |
| 33 | P | 76.2 | Confident | 80.8 | Confident | 98 Ų | 98 | 70 Ų | 70 | 64% | 0.636 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 153.7 | 175.8 | 28.1 | -34.7 | 0 | 0 | 0 | 111.5 | ||
| 34 | P | 77.9 | Confident | 81.5 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 6% | 0.058 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -62 | 147.1 | 175.5 | 25.9 | -33.6 | 0 | 0 | 0 | 111.3 | S36 W123 | P34-S36 PolarHBondContact O-N 3.04Å; P34-W123 HydrophobicContact CB-CH2 4.04Å; P34-W123 HydrophobicContact CB-CZ2 3.89Å; P34-W123 HydrophobicContact CG-CH2 3.81Å; P34-W123 HydrophobicContact CG-CZ2 4.2Å |
| 35 | D | 83.9 | Confident | 82.2 | Confident | 104 Ų | 104 | 71.7 Ų | 71.7 | 56% | 0.556 | 43% | 0.425 | S | S | * | . | trans | -69.3 | 91.5 | -177 | -71.3 | -39 | 0 | 0 | 0 | 111.2 | K27 | K27-D35 VanDerWaalsContact CE-OD1 3.26Å; K27-D35 WeakPolarHBondContact CE-OD1 3.46Å; K27-D35 WeakPolarHBondContact CE-OD2 3.32Å; K27-D35 IonicContact NZ-OD1 2.97Å; K27-D35 PolarHBondContact NZ-OD1 3.31Å; K27-D35 IonicContact NZ-OD2 3.74Å; K27-D35 PolarHBondContact NZ-OD2 3.11Å | ||
| 36 | S | 88.1 | Confident | 83 | Confident | 14 Ų | 14 | 73 Ų | 73 | 10% | 0.098 | 44% | 0.436 | C | S | . | . | trans | -93.5 | -16.4 | -173.6 | 64 | 0 | 0 | 0 | 0 | 114.8 | P34 P39 A40 I106 L107 | P34-S36 PolarHBondContact O-N 3.04Å; S36-P39 VanDerWaalsContact O-CD 3.28Å; S36-P39 WeakPolarHBondContact O-CD 3.44Å; S36-P39 VanDerWaalsContact O-CG 3.27Å; S36-P39 WeakPolarHBondContact O-CG 3.28Å; S36-A40 WeakPolarHBondContact O-CB 3.36Å; S36-A40 PolarHBondContact O-N 3.46Å; S36-I106 WeakPolarHBondContact CB-O 3.37Å; S36-I106 WeakPolarHBondContact O-CG2 3.38Å; S36-L107 PolarHBondContact OG-O 2.93Å; S36-L107 VanDerWaalsContact OG-O 3.11Å | ||
| 37 | V | 90.2 | Very high | 83.9 | Confident | 83 Ų | 83 | 71.1 Ų | 71.1 | 50% | 0.503 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67 | -49.8 | -167.4 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | A40 I41 L107 | V37-A40 PolarHBondContact O-N 2.94Å; V37-I41 HydrophobicContact CG1-CD1 3.8Å; V37-I41 HydrophobicContact CG1-CG1 4.45Å; V37-I41 VanDerWaalsContact O-CG1 3.31Å; V37-I41 WeakPolarHBondContact O-CG1 3.45Å; V37-I41 PolarHBondContact O-N 3.13Å; V37-L107 HydrophobicContact CG2-CD1 4.15Å |
| 38 | V | 90.7 | Very high | 85.1 | Confident | 122 Ų | 122 | 72.7 Ų | 72.7 | 74% | 0.739 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.2 | -51 | 178.3 | 177.9 | 0 | 0 | 0 | 0 | 112 | A40 I41 G42 | V38-A40 VanDerWaalsContact C-N 3.32Å; V38-A40 PolarHBondContact O-N 2.66Å; V38-I41 PolarHBondContact O-N 3.35Å; V38-G42 PolarHBondContact O-N 3.32Å |
| 39 | P | 89.7 | Confident | 86.4 | Confident | 35 Ų | 35 | 68.6 Ų | 68.6 | 23% | 0.227 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.3 | -32.7 | 177.5 | 21.5 | -29.7 | 0 | 0 | 0 | 112.8 | S36 G42 R43 I106 W123 | S36-P39 VanDerWaalsContact O-CD 3.28Å; S36-P39 WeakPolarHBondContact O-CD 3.44Å; S36-P39 VanDerWaalsContact O-CG 3.27Å; S36-P39 WeakPolarHBondContact O-CG 3.28Å; P39-G42 PolarHBondContact O-N 3.27Å; P39-R43 PolarHBondContact O-N 3.4Å; P39-I106 HydrophobicContact CB-CG2 4.07Å; P39-I106 HydrophobicContact CG-CG2 4.02Å; P39-W123 HydrophobicContact CB-CB 3.97Å; P39-W123 HydrophobicContact CB-CD2 4.44Å; P39-W123 HydrophobicContact CB-CG 3.7Å; P39-W123 HydrophobicContact CG-CB 4.47Å; P39-W123 HydrophobicContact CG-CD2 4Å; P39-W123 HydrophobicContact CG-CG 3.69Å |
| 40 | A | 91.6 | Very high | 87.7 | Confident | 6 Ų | 6 | 66 Ų | 66 | 5% | 0.05 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S36 V37 V38 G42 R43 L44 G103 I106 L107 | S36-A40 WeakPolarHBondContact O-CB 3.36Å; S36-A40 PolarHBondContact O-N 3.46Å; V37-A40 PolarHBondContact O-N 2.94Å; V38-A40 VanDerWaalsContact C-N 3.32Å; V38-A40 PolarHBondContact O-N 2.66Å; A40-G42 VanDerWaalsContact C-N 3.29Å; A40-G42 PolarHBondContact O-N 2.89Å; A40-R43 PolarHBondContact O-N 3.44Å; A40-R43 VanDerWaalsContact O-N 3.08Å; A40-L44 WeakPolarHBondContact O-CB 3.28Å; A40-L44 PolarHBondContact O-N 3.22Å; A40-G103 WeakPolarHBondContact CB-O 3.35Å; A40-I106 HydrophobicContact CB-CB 4.26Å; A40-I106 HydrophobicContact CB-CG2 3.85Å; A40-L107 HydrophobicContact CB-CB 4.01Å; A40-L107 HydrophobicContact CB-CD1 4.32Å |
| 41 | I | 93 | Very high | 89 | Confident | 79 Ų | 79 | 64.9 Ų | 64.9 | 41% | 0.405 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 176.4 | -69.2 | 170.5 | 0 | 0 | 0 | 110.6 | V37 V38 R43 L44 L45 | V37-I41 HydrophobicContact CG1-CD1 3.8Å; V37-I41 HydrophobicContact CG1-CG1 4.45Å; V37-I41 VanDerWaalsContact O-CG1 3.31Å; V37-I41 WeakPolarHBondContact O-CG1 3.45Å; V37-I41 PolarHBondContact O-N 3.13Å; V38-I41 PolarHBondContact O-N 3.35Å; I41-R43 PolarHBondContact O-N 2.94Å; I41-R43 VanDerWaalsContact O-N 3.17Å; I41-L44 PolarHBondContact O-N 3.4Å; I41-L45 HydrophobicContact CG2-CD1 3.68Å; I41-L45 HydrophobicContact CG2-CG 3.88Å; I41-L45 WeakPolarHBondContact O-CG 3.48Å; I41-L45 PolarHBondContact O-N 2.96Å |
| 42 | G | 91.6 | Very high | 90.2 | Very high | 45 Ų | 45 | 60.5 Ų | 60.5 | 46% | 0.464 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.1 | -22.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V38 P39 A40 P46 | V38-G42 PolarHBondContact O-N 3.32Å; P39-G42 PolarHBondContact O-N 3.27Å; A40-G42 VanDerWaalsContact C-N 3.29Å; A40-G42 PolarHBondContact O-N 2.89Å; G42-P46 WeakPolarHBondContact O-CD 3.43Å; G42-P46 WeakPolarHBondContact O-CG 3.24Å |
| 43 | R | 91.5 | Very high | 91 | Very high | 50 Ų | 50 | 56 Ų | 56 | 19% | 0.189 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -91.8 | -40.4 | 170.7 | -60.6 | -58 | 172.3 | 136.5 | -20.2 | 112.9 | P39 A40 I41 P46 G47 E102 I106 | P39-R43 PolarHBondContact O-N 3.4Å; A40-R43 PolarHBondContact O-N 3.44Å; A40-R43 VanDerWaalsContact O-N 3.08Å; I41-R43 PolarHBondContact O-N 2.94Å; I41-R43 VanDerWaalsContact O-N 3.17Å; R43-P46 WeakPolarHBondContact O-CD 3.16Å; R43-G47 PolarHBondContact O-N 3.43Å; R43-E102 HydrophobicContact CG-CB 4.49Å; R43-E102 IonicContact CZ-OE2 3.3Å; R43-E102 IonicContact NH1-OE2 3.63Å; R43-E102 PolarHBondContact NH1-OE2 2.88Å; R43-I106 HydrophobicContact CG-CD1 3.7Å |
| 44 | L | 93 | Very high | 91.8 | Very high | 63 Ų | 63 | 53 Ų | 53 | 33% | 0.33 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | -177.9 | -175.9 | 63.7 | 0 | 0 | 0 | 111.9 | A40 I41 G47 L48 I100 | A40-L44 WeakPolarHBondContact O-CB 3.28Å; A40-L44 PolarHBondContact O-N 3.22Å; I41-L44 PolarHBondContact O-N 3.4Å; L44-G47 CarbonylContact O-C 3.6Å; L44-G47 WeakPolarHBondContact O-CA 3.27Å; L44-G47 PolarHBondContact O-N 2.81Å; L44-G47 VanDerWaalsContact O-N 3.15Å; L44-L48 HydrophobicContact CD1-CD1 4.36Å; L44-L48 HydrophobicContact CD1-CG 4.19Å; L44-L48 HydrophobicContact CG-CD1 4.02Å; L44-L48 HydrophobicContact CG-CG 4.27Å; L44-L48 WeakPolarHBondContact O-CG 3.41Å; L44-L48 PolarHBondContact O-N 2.94Å; L44-I100 HydrophobicContact CD1-CB 4.45Å; L44-I100 HydrophobicContact CD1-CG1 4.12Å; L44-I100 HydrophobicContact CD1-CG2 4.1Å |
| 45 | L | 94.6 | Very high | 92.5 | Very high | 112 Ų | 112 | 55.6 Ų | 55.6 | 59% | 0.586 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.9 | -51.8 | -176.4 | -72.4 | 176.3 | 0 | 0 | 0 | 113 | I41 G47 L48 G49 | I41-L45 HydrophobicContact CG2-CD1 3.68Å; I41-L45 HydrophobicContact CG2-CG 3.88Å; I41-L45 WeakPolarHBondContact O-CG 3.48Å; I41-L45 PolarHBondContact O-N 2.96Å; L45-G47 VanDerWaalsContact C-N 3.28Å; L45-G47 PolarHBondContact O-N 2.74Å; L45-L48 PolarHBondContact O-N 2.91Å; L45-G49 PolarHBondContact O-N 3.49Å |
| 46 | P | 93.7 | Very high | 93 | Very high | 48 Ų | 48 | 55 Ų | 55 | 31% | 0.312 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.9 | -38.3 | 172.2 | -25 | 35 | 0 | 0 | 0 | 112.8 | G42 R43 G49 F50 L99 L131 | G42-P46 WeakPolarHBondContact O-CD 3.43Å; G42-P46 WeakPolarHBondContact O-CG 3.24Å; R43-P46 WeakPolarHBondContact O-CD 3.16Å; P46-G49 PolarHBondContact O-N 3.34Å; P46-F50 WeakPolarHBondContact O-CD2 3.31Å; P46-F50 PolarHBondContact O-N 2.92Å; P46-L99 HydrophobicContact CB-CD1 4.11Å; P46-L131 HydrophobicContact CB-CD2 4.29Å |
| 47 | G | 93.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R43 L44 L45 F50 A51 A96 | R43-G47 PolarHBondContact O-N 3.43Å; L44-G47 CarbonylContact O-C 3.6Å; L44-G47 WeakPolarHBondContact O-CA 3.27Å; L44-G47 PolarHBondContact O-N 2.81Å; L44-G47 VanDerWaalsContact O-N 3.15Å; L45-G47 VanDerWaalsContact C-N 3.28Å; L45-G47 PolarHBondContact O-N 2.74Å; G47-F50 PolarHBondContact O-N 2.96Å; G47-A51 PolarHBondContact O-N 3.48Å; G47-A96 WeakPolarHBondContact O-CA 3.38Å; G47-A96 VanDerWaalsContact O-CB 3.28Å; G47-A96 WeakPolarHBondContact O-CB 3.37Å |
| 48 | L | 95.7 | Very high | 93.1 | Very high | 79 Ų | 79 | 55.8 Ų | 55.8 | 41% | 0.414 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 173.6 | -69 | 176.2 | 0 | 0 | 0 | 111.7 | L44 L45 F50 A51 I52 I100 | L44-L48 HydrophobicContact CD1-CD1 4.36Å; L44-L48 HydrophobicContact CD1-CG 4.19Å; L44-L48 HydrophobicContact CG-CD1 4.02Å; L44-L48 HydrophobicContact CG-CG 4.27Å; L44-L48 WeakPolarHBondContact O-CG 3.41Å; L44-L48 PolarHBondContact O-N 2.94Å; L45-L48 PolarHBondContact O-N 2.91Å; L48-F50 VanDerWaalsContact C-N 3.35Å; L48-F50 PolarHBondContact O-N 2.87Å; L48-A51 WeakPolarHBondContact O-CB 3.35Å; L48-A51 PolarHBondContact O-N 3.08Å; L48-A51 VanDerWaalsContact O-N 3.16Å; L48-I52 WeakPolarHBondContact O-CG1 3.39Å; L48-I52 PolarHBondContact O-N 3.41Å; L48-I100 HydrophobicContact CD2-CD1 4.28Å |
| 49 | G | 95.6 | Very high | 93.1 | Very high | 44 Ų | 44 | 54.3 Ų | 54.3 | 45% | 0.454 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.4 | -45.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L45 P46 I52 G53 | L45-G49 PolarHBondContact O-N 3.49Å; P46-G49 PolarHBondContact O-N 3.34Å; G49-I52 PolarHBondContact O-N 2.97Å; G49-G53 PolarHBondContact O-N 3.42Å |
| 50 | F | 94.7 | Very high | 93.1 | Very high | 34 Ų | 34 | 59.1 Ų | 59.1 | 15% | 0.149 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68 | -34.5 | 174.6 | -73.8 | -59.1 | 0 | 0 | 0 | 113.2 | P46 G47 L48 G53 H54 M92 Q95 A96 L99 L131 | P46-F50 WeakPolarHBondContact O-CD2 3.31Å; P46-F50 PolarHBondContact O-N 2.92Å; G47-F50 PolarHBondContact O-N 2.96Å; L48-F50 VanDerWaalsContact C-N 3.35Å; L48-F50 PolarHBondContact O-N 2.87Å; F50-G53 PolarHBondContact O-N 2.9Å; F50-H54 WeakPolarHBondContact O-CB 3.26Å; F50-H54 PolarHBondContact O-N 3.44Å; F50-M92 HydrophobicContact CB-CB 4.46Å; F50-M92 HydrophobicContact CD1-CB 4.27Å; F50-M92 HydrophobicContact CD1-CG 3.92Å; F50-Q95 HydrophobicContact CB-CB 4.32Å; F50-Q95 HydrophobicContact CD1-CB 4.48Å; F50-Q95 HydrophobicContact CD2-CB 3.96Å; F50-Q95 HydrophobicContact CE2-CB 4.44Å; F50-Q95 HydrophobicContact CG-CB 4Å; F50-A96 HydrophobicContact CB-CB 3.92Å; F50-L99 HydrophobicContact CD2-CD1 3.73Å; F50-L99 HydrophobicContact CE2-CD1 3.93Å; F50-L131 HydrophobicContact CE2-CD1 3.54Å; F50-L131 HydrophobicContact CE2-CD2 3.77Å; F50-L131 HydrophobicContact CE2-CG 4.31Å; F50-L131 HydrophobicContact CZ-CD1 3.57Å; F50-L131 HydrophobicContact CZ-CD2 4.27Å |
| 51 | A | 94.7 | Very high | 92.9 | Very high | 35 Ų | 35 | 62.7 Ų | 62.7 | 29% | 0.289 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | G47 L48 H54 A55 A96 | G47-A51 PolarHBondContact O-N 3.48Å; L48-A51 WeakPolarHBondContact O-CB 3.35Å; L48-A51 PolarHBondContact O-N 3.08Å; L48-A51 VanDerWaalsContact O-N 3.16Å; A51-H54 PolarHBondContact O-N 3.3Å; A51-A55 WeakPolarHBondContact O-CB 3.23Å; A51-A55 PolarHBondContact O-N 2.84Å; A51-A96 HydrophobicContact CB-CB 3.87Å |
| 52 | I | 96.1 | Very high | 92.7 | Very high | 105 Ų | 105 | 61 Ų | 61 | 54% | 0.538 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.7 | -46 | 176.4 | -66.3 | 166.3 | 0 | 0 | 0 | 110.1 | L48 G49 H54 A55 I56 | L48-I52 WeakPolarHBondContact O-CG1 3.39Å; L48-I52 PolarHBondContact O-N 3.41Å; G49-I52 PolarHBondContact O-N 2.97Å; I52-H54 PolarHBondContact O-N 3.25Å; I52-A55 PolarHBondContact O-N 3.05Å; I52-I56 HydrophobicContact CG2-CD1 3.74Å; I52-I56 HydrophobicContact CG2-CG1 4.49Å; I52-I56 WeakPolarHBondContact O-CG1 3.37Å; I52-I56 PolarHBondContact O-N 3.42Å |
| 53 | G | 94.4 | Very high | 92.5 | Very high | 11 Ų | 11 | 60.3 Ų | 60.3 | 11% | 0.113 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.8 | -51.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | G49 F50 A55 I56 F57 | G49-G53 PolarHBondContact O-N 3.42Å; F50-G53 PolarHBondContact O-N 2.9Å; G53-A55 VanDerWaalsContact C-N 3.34Å; G53-A55 PolarHBondContact O-N 3.08Å; G53-I56 PolarHBondContact O-N 3.2Å; G53-F57 WeakPolarHBondContact O-CB 3.32Å; G53-F57 WeakPolarHBondContact O-CD2 3.33Å; G53-F57 PolarHBondContact O-N 3.37Å |
| 54 | H | 93.5 | Very high | 92.4 | Very high | 36 Ų | 36 | 63.6 Ų | 63.6 | 17% | 0.167 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.1 | -45.5 | 175.6 | 171.6 | -92.6 | 0 | 0 | 0 | 112 | F50 A51 I52 I56 F57 H58 F89 M92 | F50-H54 WeakPolarHBondContact O-CB 3.26Å; F50-H54 PolarHBondContact O-N 3.44Å; A51-H54 PolarHBondContact O-N 3.3Å; I52-H54 PolarHBondContact O-N 3.25Å; H54-I56 VanDerWaalsContact C-N 3.28Å; H54-I56 PolarHBondContact O-N 2.88Å; H54-F57 PolarHBondContact O-N 3.12Å; H54-H58 AromaticContact NE2-CD2 3.67Å; H54-H58 AromaticContact NE2-CG 3.54Å; H54-H58 WeakPolarHBondContact O-CB 3.5Å; H54-H58 PolarHBondContact O-N 3.28Å; H54-F89 PolarHBondContact CD2-O 2.89Å; H54-M92 HydrophobicContact CB-CB 3.98Å |
| 55 | A | 93.5 | Very high | 92.2 | Very high | 62 Ų | 62 | 62.5 Ų | 62.5 | 51% | 0.512 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.3 | -33.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A51 I52 G53 P59 | A51-A55 WeakPolarHBondContact O-CB 3.23Å; A51-A55 PolarHBondContact O-N 2.84Å; I52-A55 PolarHBondContact O-N 3.05Å; G53-A55 VanDerWaalsContact C-N 3.34Å; G53-A55 PolarHBondContact O-N 3.08Å; A55-P59 VanDerWaalsContact O-CD 3.26Å; A55-P59 WeakPolarHBondContact O-CD 3.26Å; A55-P59 VanDerWaalsContact O-CG 3.31Å; A55-P59 WeakPolarHBondContact O-CG 3.12Å |
| 56 | I | 94.4 | Very high | 91.8 | Very high | 93 Ų | 93 | 58.8 Ų | 58.8 | 48% | 0.477 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -80.8 | -40.9 | 178.6 | -66.3 | 169.2 | 0 | 0 | 0 | 111.8 | I52 G53 H54 | I52-I56 HydrophobicContact CG2-CD1 3.74Å; I52-I56 HydrophobicContact CG2-CG1 4.49Å; I52-I56 WeakPolarHBondContact O-CG1 3.37Å; I52-I56 PolarHBondContact O-N 3.42Å; G53-I56 PolarHBondContact O-N 3.2Å; H54-I56 VanDerWaalsContact C-N 3.28Å; H54-I56 PolarHBondContact O-N 2.88Å |
| 57 | F | 92.2 | Very high | 91.5 | Very high | 77 Ų | 77 | 63.5 Ų | 63.5 | 34% | 0.338 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -94.4 | -38.3 | -169.4 | -64.8 | -63.5 | 0 | 0 | 0 | 114.4 | G53 H54 K60 W61 F89 | G53-F57 WeakPolarHBondContact O-CB 3.32Å; G53-F57 WeakPolarHBondContact O-CD2 3.33Å; G53-F57 PolarHBondContact O-N 3.37Å; H54-F57 PolarHBondContact O-N 3.12Å; F57-K60 WeakPolarHBondContact O-CB 3.48Å; F57-K60 PolarHBondContact O-N 2.9Å; F57-W61 PolarHBondContact O-N 3.21Å; F57-F89 HydrophobicContact CB-CB 4.42Å; F57-F89 HydrophobicContact CB-CD1 3.28Å; F57-F89 HydrophobicContact CB-CD2 4.12Å; F57-F89 HydrophobicContact CB-CE1 3.36Å; F57-F89 HydrophobicContact CB-CE2 4.16Å; F57-F89 HydrophobicContact CB-CG 3.69Å; F57-F89 HydrophobicContact CB-CZ 3.82Å; F57-F89 AromaticContact CD1-CE1 3.89Å; F57-F89 HydrophobicContact CD1-CE1 3.89Å; F57-F89 AromaticContact CD1-CZ 4Å; F57-F89 HydrophobicContact CD1-CZ 4Å; F57-F89 HydrophobicContact CD2-CD1 4.1Å; F57-F89 AromaticContact CD2-CE1 3.79Å; F57-F89 HydrophobicContact CD2-CE1 3.79Å; F57-F89 AromaticContact CG-CD1 3.81Å; F57-F89 HydrophobicContact CG-CD1 3.81Å; F57-F89 AromaticContact CG-CE1 3.42Å; F57-F89 HydrophobicContact CG-CE1 3.42Å; F57-F89 VanDerWaalsContact CG-CE1 3.42Å; F57-F89 AromaticContact CG-CZ 3.94Å; F57-F89 HydrophobicContact CG-CZ 3.94Å |
| 58 | H | 88.4 | Confident | 91.3 | Very high | 35 Ų | 35 | 66 Ų | 66 | 16% | 0.162 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -58.7 | -40.9 | -177.9 | 180 | -86 | 0 | 0 | 0 | 113.4 | H54 K60 W61 T63 | H54-H58 AromaticContact NE2-CD2 3.67Å; H54-H58 AromaticContact NE2-CG 3.54Å; H54-H58 WeakPolarHBondContact O-CB 3.5Å; H54-H58 PolarHBondContact O-N 3.28Å; H58-K60 PolarHBondContact O-N 3.46Å; H58-K60 VanDerWaalsContact O-N 3.1Å; H58-W61 CarbonylContact O-C 3.11Å; H58-W61 PolarHBondContact O-N 2.93Å; H58-T63 PolarHBondContact NE2-OG1 2.94Å |
| 59 | P | 89.5 | Confident | 90.9 | Very high | 92 Ų | 92 | 68.8 Ų | 68.8 | 60% | 0.597 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -59.7 | -23.3 | 176.5 | -25.5 | 36.1 | 0 | 0 | 0 | 114.4 | A55 | A55-P59 VanDerWaalsContact O-CD 3.26Å; A55-P59 WeakPolarHBondContact O-CD 3.26Å; A55-P59 VanDerWaalsContact O-CG 3.31Å; A55-P59 WeakPolarHBondContact O-CG 3.12Å |
| 60 | K | 89.5 | Confident | 90.6 | Very high | 136 Ų | 136 | 72 Ų | 72 | 59% | 0.591 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -83.9 | -22.5 | 177.1 | -61.7 | 179.5 | -177.1 | -177.9 | 0 | 112.9 | F57 H58 P62 | F57-K60 WeakPolarHBondContact O-CB 3.48Å; F57-K60 PolarHBondContact O-N 2.9Å; H58-K60 PolarHBondContact O-N 3.46Å; H58-K60 VanDerWaalsContact O-N 3.1Å; K60-P62 VanDerWaalsContact C-CD 3.47Å |
| 61 | W | 88 | Confident | 90.3 | Very high | 81 Ų | 81 | 71.2 Ų | 71.2 | 31% | 0.307 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -127 | 69.7 | 176.1 | -78.2 | -95 | 0 | 0 | 0 | 110 | F57 H58 Y82 V85 F89 | F57-W61 PolarHBondContact O-N 3.21Å; H58-W61 CarbonylContact O-C 3.11Å; H58-W61 PolarHBondContact O-N 2.93Å; W61-Y82 AromaticContact CD1-CD2 3.78Å; W61-Y82 AromaticContact CD1-CE2 3.36Å; W61-Y82 AromaticContact CD1-CZ 3.71Å; W61-Y82 HydrophobicContact CG-CE2 4.33Å; W61-Y82 AromaticContact NE1-CE2 3.94Å; W61-V85 HydrophobicContact CD2-CG1 4.11Å; W61-V85 HydrophobicContact CG-CG1 4.24Å; W61-V85 HydrophobicContact CZ2-CG1 4.33Å; W61-F89 HydrophobicContact CB-CD2 4.01Å; W61-F89 HydrophobicContact CB-CE2 4.47Å; W61-F89 HydrophobicContact CD2-CD2 4.12Å; W61-F89 AromaticContact CD2-CE2 3.66Å; W61-F89 HydrophobicContact CD2-CE2 3.66Å; W61-F89 AromaticContact CE3-CD2 3.93Å; W61-F89 HydrophobicContact CE3-CD2 3.93Å; W61-F89 AromaticContact CE3-CE2 3.35Å; W61-F89 HydrophobicContact CE3-CE2 3.35Å; W61-F89 HydrophobicContact CE3-CZ 4.2Å; W61-F89 HydrophobicContact CG-CD2 4.14Å; W61-F89 HydrophobicContact CG-CE2 4.12Å; W61-F89 AromaticContact CZ3-CE2 3.86Å; W61-F89 HydrophobicContact CZ3-CE2 3.86Å; W61-F89 HydrophobicContact CZ3-CZ 4.3Å |
| 62 | P | 88.7 | Confident | 90 | Very high | 43 Ų | 43 | 73.4 Ų | 73.4 | 28% | 0.279 | 39% | 0.388 | S | S | . | . | trans | -65.8 | 142.2 | -177.2 | 25.8 | -32.6 | 0 | 0 | 0 | 111.4 | K60 E64 F65 Y82 | K60-P62 VanDerWaalsContact C-CD 3.47Å; P62-E64 VanDerWaalsContact CB-OE2 3.25Å; P62-E64 WeakPolarHBondContact CB-OE2 3.3Å; P62-E64 PolarHBondContact O-N 3.44Å; P62-F65 HydrophobicContact CG-CB 4.13Å; P62-F65 WeakPolarHBondContact O-CB 3.43Å; P62-F65 PolarHBondContact O-N 2.83Å; P62-Y82 PolarHBondContact O-OH 3.37Å | ||
| 63 | T | 87.3 | Confident | 89.8 | Confident | 30 Ų | 30 | 73.6 Ų | 73.6 | 18% | 0.184 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -62.8 | -30.2 | 177.2 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | H58 F65 C66 W86 | H58-T63 PolarHBondContact NE2-OG1 2.94Å; T63-F65 PolarHBondContact O-N 3.26Å; T63-C66 WeakPolarHBondContact O-CB 3.33Å; T63-C66 PolarHBondContact O-N 3.44Å; T63-W86 HydrophobicContact CG2-CZ2 3.7Å; T63-W86 PolarHBondContact OG1-NE1 3.11Å |
| 64 | E | 89.6 | Confident | 89.5 | Confident | 119 Ų | 119 | 77.1 Ų | 77.1 | 56% | 0.556 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -64.6 | -28.5 | -178.6 | -61 | 72.7 | -160 | 0 | 0 | 111.9 | P62 C66 L67 | P62-E64 VanDerWaalsContact CB-OE2 3.25Å; P62-E64 WeakPolarHBondContact CB-OE2 3.3Å; P62-E64 PolarHBondContact O-N 3.44Å; E64-C66 VanDerWaalsContact C-N 3.29Å; E64-C66 PolarHBondContact O-N 2.91Å; E64-L67 WeakPolarHBondContact O-CB 3.49Å; E64-L67 PolarHBondContact O-N 2.95Å |
| 65 | F | 88.2 | Confident | 89.5 | Confident | 40 Ų | 40 | 78 Ų | 78 | 18% | 0.175 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -63.7 | -35.1 | 177.4 | -175.8 | -105.3 | 0 | 0 | 0 | 112.1 | P62 T63 L67 T68 E70 F71 Y74 Y82 | P62-F65 HydrophobicContact CG-CB 4.13Å; P62-F65 WeakPolarHBondContact O-CB 3.43Å; P62-F65 PolarHBondContact O-N 2.83Å; T63-F65 PolarHBondContact O-N 3.26Å; F65-L67 PolarHBondContact O-N 3.1Å; F65-T68 PolarHBondContact O-N 2.83Å; F65-T68 VanDerWaalsContact O-N 3.14Å; F65-T68 PolarHBondContact O-OG1 2.85Å; F65-E70 HydrophobicContact CE2-CG 4.39Å; F65-F71 AromaticContact CD1-CD2 3.95Å; F65-F71 HydrophobicContact CD1-CD2 3.95Å; F65-F71 HydrophobicContact CE1-CB 4.42Å; F65-F71 AromaticContact CE1-CD2 3.74Å; F65-F71 HydrophobicContact CE1-CD2 3.74Å; F65-F71 VanDerWaalsContact O-CB 3.28Å; F65-F71 WeakPolarHBondContact O-CB 3.36Å; F65-Y74 AromaticContact CZ-CE2 3.98Å; F65-Y74 HydrophobicContact CZ-CE2 3.98Å; F65-Y82 WeakPolarHBondContact CB-OH 3.47Å; F65-Y82 HydrophobicContact CD1-CD1 4.47Å; F65-Y82 HydrophobicContact CD1-CD2 4.16Å; F65-Y82 AromaticContact CD1-CE1 3.92Å; F65-Y82 HydrophobicContact CD1-CE1 3.92Å; F65-Y82 AromaticContact CD1-CE2 3.52Å; F65-Y82 HydrophobicContact CD1-CE2 3.52Å; F65-Y82 AromaticContact CD1-CZ 3.4Å; F65-Y82 HydrophobicContact CE1-CD2 4.16Å; F65-Y82 AromaticContact CE1-CE2 3.85Å; F65-Y82 HydrophobicContact CE1-CE2 3.85Å; F65-Y82 HydrophobicContact CG-CE2 4.45Å |
| 66 | C | 86 | Confident | 89.4 | Confident | 34 Ų | 34 | 81.8 Ų | 81.8 | 23% | 0.23 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -63.5 | -15.3 | 175.7 | -66.5 | 0 | 0 | 0 | 0 | 113.4 | T63 E64 Y82 | T63-C66 WeakPolarHBondContact O-CB 3.33Å; T63-C66 PolarHBondContact O-N 3.44Å; E64-C66 VanDerWaalsContact C-N 3.29Å; E64-C66 PolarHBondContact O-N 2.91Å; C66-Y82 WeakPolarHBondContact SG-CE1 3.48Å |
| 67 | L | 87.9 | Confident | 89.4 | Confident | 147 Ų | 147 | 86.8 Ų | 86.8 | 77% | 0.77 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -101.3 | -3.3 | -178.6 | -56.1 | 174.3 | 0 | 0 | 0 | 112.6 | E64 F65 | E64-L67 WeakPolarHBondContact O-CB 3.49Å; E64-L67 PolarHBondContact O-N 2.95Å; F65-L67 PolarHBondContact O-N 3.1Å |
| 68 | T | 89.8 | Confident | 89.3 | Confident | 52 Ų | 52 | 87.8 Ų | 87.8 | 32% | 0.319 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -83 | 151.6 | 178.9 | 65.4 | 0 | 0 | 0 | 0 | 111.3 | F65 E70 F71 | F65-T68 PolarHBondContact O-N 2.83Å; F65-T68 VanDerWaalsContact O-N 3.14Å; F65-T68 PolarHBondContact O-OG1 2.85Å; T68-E70 PolarHBondContact O-N 3.15Å; T68-F71 PolarHBondContact O-N 3.19Å; T68-F71 PolarHBondContact OG1-N 2.93Å |
| 69 | D | 88 | Confident | 89.4 | Confident | 138 Ų | 138 | 90 Ų | 90 | 74% | 0.738 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -30.3 | 173.1 | -66.5 | -32.3 | 0 | 0 | 0 | 111.3 | F71 T72 | D69-F71 VanDerWaalsContact C-N 3.31Å; D69-F71 PolarHBondContact O-N 3.17Å; D69-T72 WeakPolarHBondContact O-CA 3.39Å; D69-T72 WeakPolarHBondContact O-CB 3.19Å; D69-T72 PolarHBondContact O-N 3.34Å; D69-T72 PolarHBondContact O-OG1 3.44Å |
| 70 | E | 88.8 | Confident | 89.6 | Confident | 111 Ų | 111 | 87 Ų | 87 | 52% | 0.519 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -56.6 | -43.5 | 175.7 | -173.6 | 178.2 | -172.5 | 0 | 0 | 111.6 | F65 T68 T72 T73 Y74 | F65-E70 HydrophobicContact CE2-CG 4.39Å; T68-E70 PolarHBondContact O-N 3.15Å; E70-T72 PolarHBondContact O-N 3.37Å; E70-T73 WeakPolarHBondContact O-CB 3.46Å; E70-T73 PolarHBondContact O-N 2.93Å; E70-T73 PolarHBondContact O-OG1 3.17Å; E70-Y74 HydrophobicContact CG-CE2 4.17Å; E70-Y74 VanDerWaalsContact O-CD2 3.31Å; E70-Y74 WeakPolarHBondContact O-CD2 3.49Å |
| 71 | F | 88.5 | Confident | 89.8 | Confident | 19 Ų | 19 | 88.8 Ų | 88.8 | 8% | 0.083 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -61.2 | -28.9 | 177 | -175.7 | -108.4 | 0 | 0 | 0 | 112.7 | F65 T68 D69 T73 Y74 R79 Y82 I83 | F65-F71 AromaticContact CD1-CD2 3.95Å; F65-F71 HydrophobicContact CD1-CD2 3.95Å; F65-F71 HydrophobicContact CE1-CB 4.42Å; F65-F71 AromaticContact CE1-CD2 3.74Å; F65-F71 HydrophobicContact CE1-CD2 3.74Å; F65-F71 VanDerWaalsContact O-CB 3.28Å; F65-F71 WeakPolarHBondContact O-CB 3.36Å; T68-F71 PolarHBondContact O-N 3.19Å; T68-F71 PolarHBondContact OG1-N 2.93Å; D69-F71 VanDerWaalsContact C-N 3.31Å; D69-F71 PolarHBondContact O-N 3.17Å; F71-T73 PolarHBondContact O-N 3.16Å; F71-Y74 PolarHBondContact O-N 2.96Å; F71-R79 HydrophobicContact CD1-CG 4.29Å; F71-R79 HydrophobicContact CD2-CG 4.2Å; F71-R79 HydrophobicContact CE1-CB 4.01Å; F71-R79 HydrophobicContact CE1-CG 3.83Å; F71-R79 HydrophobicContact CE2-CB 3.93Å; F71-R79 HydrophobicContact CE2-CG 3.75Å; F71-R79 HydrophobicContact CG-CG 4.46Å; F71-R79 HydrophobicContact CZ-CB 3.45Å; F71-R79 VanDerWaalsContact CZ-CB 3.45Å; F71-R79 HydrophobicContact CZ-CG 3.54Å; F71-R79 VanDerWaalsContact O-CD 3.28Å; F71-R79 WeakPolarHBondContact O-CD 3.43Å; F71-R79 PolarHBondContact O-NE 3.26Å; F71-R79 VanDerWaalsContact O-NE 3.17Å; F71-Y82 AromaticContact CE2-CD1 3.89Å; F71-Y82 HydrophobicContact CE2-CD1 3.89Å; F71-Y82 AromaticContact CE2-CG 3.98Å; F71-Y82 HydrophobicContact CE2-CG 3.98Å; F71-I83 HydrophobicContact CZ-CD1 4.16Å; F71-I83 HydrophobicContact CZ-CG1 4.13Å |
| 72 | T | 87.2 | Confident | 90 | Very high | 81 Ų | 81 | 86.5 Ų | 86.5 | 50% | 0.497 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -73.5 | -8.8 | 175.9 | 78.6 | 0 | 0 | 0 | 0 | 113.7 | D69 E70 R79 | D69-T72 WeakPolarHBondContact O-CA 3.39Å; D69-T72 WeakPolarHBondContact O-CB 3.19Å; D69-T72 PolarHBondContact O-N 3.34Å; D69-T72 PolarHBondContact O-OG1 3.44Å; E70-T72 PolarHBondContact O-N 3.37Å; T72-R79 VanDerWaalsContact C-NH2 3.33Å; T72-R79 VanDerWaalsContact O-CZ 3.28Å; T72-R79 PolarHBondContact O-NH2 3.36Å |
| 73 | T | 91.6 | Very high | 90.2 | Very high | 108 Ų | 108 | 88.2 Ų | 88.2 | 66% | 0.663 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -88.3 | -22.1 | 175.8 | 70.9 | 0 | 0 | 0 | 0 | 113 | E70 F71 | E70-T73 WeakPolarHBondContact O-CB 3.46Å; E70-T73 PolarHBondContact O-N 2.93Å; E70-T73 PolarHBondContact O-OG1 3.17Å; F71-T73 PolarHBondContact O-N 3.16Å |
| 74 | Y | 89.6 | Confident | 90.4 | Very high | 85 Ų | 85 | 91.7 Ų | 91.7 | 33% | 0.333 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -66.7 | 154.6 | -179.5 | -78.1 | -108.8 | 0 | 0 | 0 | 111.6 | F65 E70 F71 E78 R79 | F65-Y74 AromaticContact CZ-CE2 3.98Å; F65-Y74 HydrophobicContact CZ-CE2 3.98Å; E70-Y74 HydrophobicContact CG-CE2 4.17Å; E70-Y74 VanDerWaalsContact O-CD2 3.31Å; E70-Y74 WeakPolarHBondContact O-CD2 3.49Å; F71-Y74 PolarHBondContact O-N 2.96Å; Y74-E78 HydrophobicContact CD1-CB 3.8Å; Y74-E78 HydrophobicContact CD1-CG 4.38Å; Y74-E78 HydrophobicContact CG-CB 4.46Å; Y74-R79 PolarHBondContact O-NE 3.1Å; Y74-R79 PolarHBondContact O-NH2 3.5Å |
| 75 | S | 92.8 | Very high | 90.6 | Very high | 55 Ų | 55 | 87.3 Ų | 87.3 | 39% | 0.385 | 43% | 0.427 | S | S | . | . | trans | -63.2 | 160 | 171.7 | 70.2 | 0 | 0 | 0 | 0 | 111.5 | W77 E78 R79 | S75-W77 VanDerWaalsContact C-N 3.25Å; S75-W77 PolarHBondContact O-N 3.24Å; S75-E78 VanDerWaalsContact CB-OE2 3.22Å; S75-E78 WeakPolarHBondContact CB-OE2 3.44Å; S75-E78 PolarHBondContact N-OE2 3.26Å; S75-E78 PolarHBondContact O-N 3.29Å; S75-E78 VanDerWaalsContact OG-CD 3.24Å; S75-E78 VanDerWaalsContact OG-CG 3.25Å; S75-E78 WeakPolarHBondContact OG-CG 3.34Å; S75-E78 PolarHBondContact OG-N 3.03Å; S75-E78 PolarHBondContact OG-OE2 3.45Å; S75-R79 WeakPolarHBondContact O-CG 3.12Å; S75-R79 PolarHBondContact O-N 2.81Å | ||
| 76 | F | 91.6 | Very high | 90.8 | Very high | 141 Ų | 141 | 88 Ų | 88 | 62% | 0.618 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -53.8 | -42.7 | 177.2 | 172.2 | -98.1 | 0 | 0 | 0 | 112.6 | R79 A80 | F76-R79 PolarHBondContact O-N 2.69Å; F76-A80 WeakPolarHBondContact O-CB 3.39Å; F76-A80 PolarHBondContact O-N 3.39Å |
| 77 | W | 93.4 | Very high | 91 | Very high | 198 Ų | 198 | 91.5 Ų | 91.5 | 75% | 0.75 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -69.7 | -37.9 | -177.7 | -62.4 | 116.1 | 0 | 0 | 0 | 112.8 | S75 A80 W81 | S75-W77 VanDerWaalsContact C-N 3.25Å; S75-W77 PolarHBondContact O-N 3.24Å; W77-A80 PolarHBondContact O-N 3.01Å; W77-W81 WeakPolarHBondContact O-CB 3.21Å; W77-W81 PolarHBondContact O-N 2.95Å |
| 78 | E | 90.6 | Very high | 91.2 | Very high | 99 Ų | 99 | 88.5 Ų | 88.5 | 46% | 0.463 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 175.4 | -69.9 | 164.7 | 131.4 | 0 | 0 | 111.1 | Y74 S75 W81 Y82 | Y74-E78 HydrophobicContact CD1-CB 3.8Å; Y74-E78 HydrophobicContact CD1-CG 4.38Å; Y74-E78 HydrophobicContact CG-CB 4.46Å; S75-E78 VanDerWaalsContact CB-OE2 3.22Å; S75-E78 WeakPolarHBondContact CB-OE2 3.44Å; S75-E78 PolarHBondContact N-OE2 3.26Å; S75-E78 PolarHBondContact O-N 3.29Å; S75-E78 VanDerWaalsContact OG-CD 3.24Å; S75-E78 VanDerWaalsContact OG-CG 3.25Å; S75-E78 WeakPolarHBondContact OG-CG 3.34Å; S75-E78 PolarHBondContact OG-N 3.03Å; S75-E78 PolarHBondContact OG-OE2 3.45Å; E78-W81 PolarHBondContact O-N 3.45Å; E78-Y82 WeakPolarHBondContact O-CB 3.3Å; E78-Y82 PolarHBondContact O-N 2.69Å |
| 79 | R | 91.8 | Very high | 91.3 | Very high | 81 Ų | 81 | 87.2 Ų | 87.2 | 31% | 0.306 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 174.1 | -67 | -174.1 | -133.5 | -175.4 | -0.1 | 111.8 | F71 T72 Y74 S75 F76 W81 Y82 I83 | F71-R79 HydrophobicContact CD1-CG 4.29Å; F71-R79 HydrophobicContact CD2-CG 4.2Å; F71-R79 HydrophobicContact CE1-CB 4.01Å; F71-R79 HydrophobicContact CE1-CG 3.83Å; F71-R79 HydrophobicContact CE2-CB 3.93Å; F71-R79 HydrophobicContact CE2-CG 3.75Å; F71-R79 HydrophobicContact CG-CG 4.46Å; F71-R79 HydrophobicContact CZ-CB 3.45Å; F71-R79 VanDerWaalsContact CZ-CB 3.45Å; F71-R79 HydrophobicContact CZ-CG 3.54Å; F71-R79 VanDerWaalsContact O-CD 3.28Å; F71-R79 WeakPolarHBondContact O-CD 3.43Å; F71-R79 PolarHBondContact O-NE 3.26Å; F71-R79 VanDerWaalsContact O-NE 3.17Å; T72-R79 VanDerWaalsContact C-NH2 3.33Å; T72-R79 VanDerWaalsContact O-CZ 3.28Å; T72-R79 PolarHBondContact O-NH2 3.36Å; Y74-R79 PolarHBondContact O-NE 3.1Å; Y74-R79 PolarHBondContact O-NH2 3.5Å; S75-R79 WeakPolarHBondContact O-CG 3.12Å; S75-R79 PolarHBondContact O-N 2.81Å; F76-R79 PolarHBondContact O-N 2.69Å; R79-W81 VanDerWaalsContact C-N 3.35Å; R79-W81 PolarHBondContact O-N 3.36Å; R79-Y82 PolarHBondContact O-N 3.09Å; R79-I83 VanDerWaalsContact O-CG1 3.27Å; R79-I83 WeakPolarHBondContact O-CG1 3.16Å; R79-I83 PolarHBondContact O-N 2.96Å |
| 80 | A | 93 | Very high | 91.5 | Very high | 29 Ų | 29 | 81.5 Ų | 81.5 | 24% | 0.24 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F76 W77 I83 I84 | F76-A80 WeakPolarHBondContact O-CB 3.39Å; F76-A80 PolarHBondContact O-N 3.39Å; W77-A80 PolarHBondContact O-N 3.01Å; A80-I83 PolarHBondContact O-N 3.39Å; A80-I84 VanDerWaalsContact O-CG1 3.3Å; A80-I84 WeakPolarHBondContact O-CG1 3.46Å; A80-I84 PolarHBondContact O-N 3.45Å |
| 81 | W | 93.1 | Very high | 91.5 | Very high | 174 Ų | 174 | 77 Ų | 77 | 66% | 0.659 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.2 | -45.1 | 176.7 | -175.2 | -114.2 | 0 | 0 | 0 | 112.1 | W77 E78 R79 I83 I84 V85 | W77-W81 WeakPolarHBondContact O-CB 3.21Å; W77-W81 PolarHBondContact O-N 2.95Å; E78-W81 PolarHBondContact O-N 3.45Å; R79-W81 VanDerWaalsContact C-N 3.35Å; R79-W81 PolarHBondContact O-N 3.36Å; W81-I83 VanDerWaalsContact C-N 3.32Å; W81-I83 PolarHBondContact O-N 3.34Å; W81-I84 PolarHBondContact O-N 3.01Å; W81-V85 HydrophobicContact CD2-CG2 4.3Å; W81-V85 HydrophobicContact CZ2-CG2 4.11Å; W81-V85 WeakPolarHBondContact O-CG2 3.39Å; W81-V85 PolarHBondContact O-N 3.39Å |
| 82 | Y | 92.5 | Very high | 91.7 | Very high | 33 Ų | 33 | 77 Ų | 77 | 13% | 0.129 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -56.7 | -47.1 | 175.1 | -172.2 | -82.6 | 0 | 0 | 0 | 111.2 | W61 P62 F65 C66 F71 E78 R79 I84 V85 W86 | W61-Y82 AromaticContact CD1-CD2 3.78Å; W61-Y82 AromaticContact CD1-CE2 3.36Å; W61-Y82 AromaticContact CD1-CZ 3.71Å; W61-Y82 HydrophobicContact CG-CE2 4.33Å; W61-Y82 AromaticContact NE1-CE2 3.94Å; P62-Y82 PolarHBondContact O-OH 3.37Å; F65-Y82 WeakPolarHBondContact CB-OH 3.47Å; F65-Y82 HydrophobicContact CD1-CD1 4.47Å; F65-Y82 HydrophobicContact CD1-CD2 4.16Å; F65-Y82 AromaticContact CD1-CE1 3.92Å; F65-Y82 HydrophobicContact CD1-CE1 3.92Å; F65-Y82 AromaticContact CD1-CE2 3.52Å; F65-Y82 HydrophobicContact CD1-CE2 3.52Å; F65-Y82 AromaticContact CD1-CZ 3.4Å; F65-Y82 HydrophobicContact CE1-CD2 4.16Å; F65-Y82 AromaticContact CE1-CE2 3.85Å; F65-Y82 HydrophobicContact CE1-CE2 3.85Å; F65-Y82 HydrophobicContact CG-CE2 4.45Å; C66-Y82 WeakPolarHBondContact SG-CE1 3.48Å; F71-Y82 AromaticContact CE2-CD1 3.89Å; F71-Y82 HydrophobicContact CE2-CD1 3.89Å; F71-Y82 AromaticContact CE2-CG 3.98Å; F71-Y82 HydrophobicContact CE2-CG 3.98Å; E78-Y82 WeakPolarHBondContact O-CB 3.3Å; E78-Y82 PolarHBondContact O-N 2.69Å; R79-Y82 PolarHBondContact O-N 3.09Å; Y82-I84 VanDerWaalsContact C-N 3.34Å; Y82-I84 PolarHBondContact O-N 2.88Å; Y82-V85 PolarHBondContact O-N 3.4Å; Y82-W86 HydrophobicContact CD1-CB 4.21Å; Y82-W86 HydrophobicContact CE1-CB 4.03Å; Y82-W86 HydrophobicContact CE1-CG 4.48Å; Y82-W86 WeakPolarHBondContact O-CB 3.23Å; Y82-W86 PolarHBondContact O-N 3.2Å |
| 83 | I | 92.5 | Very high | 91.9 | Very high | 78 Ų | 78 | 77.9 Ų | 77.9 | 40% | 0.4 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 179.3 | -70.5 | 165.4 | 0 | 0 | 0 | 111.4 | F71 R79 A80 W81 W86 F87 | F71-I83 HydrophobicContact CZ-CD1 4.16Å; F71-I83 HydrophobicContact CZ-CG1 4.13Å; R79-I83 VanDerWaalsContact O-CG1 3.27Å; R79-I83 WeakPolarHBondContact O-CG1 3.16Å; R79-I83 PolarHBondContact O-N 2.96Å; A80-I83 PolarHBondContact O-N 3.39Å; W81-I83 VanDerWaalsContact C-N 3.32Å; W81-I83 PolarHBondContact O-N 3.34Å; I83-W86 HydrophobicContact CG2-CE3 4.48Å; I83-F87 WeakPolarHBondContact O-CB 3.44Å; I83-F87 PolarHBondContact O-N 3.24Å |
| 84 | I | 92.7 | Very high | 91.8 | Very high | 103 Ų | 103 | 74.6 Ų | 74.6 | 53% | 0.528 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.6 | -47 | 177.5 | -69.7 | 164.7 | 0 | 0 | 0 | 110.7 | A80 W81 Y82 F87 R88 | A80-I84 VanDerWaalsContact O-CG1 3.3Å; A80-I84 WeakPolarHBondContact O-CG1 3.46Å; A80-I84 PolarHBondContact O-N 3.45Å; W81-I84 PolarHBondContact O-N 3.01Å; Y82-I84 VanDerWaalsContact C-N 3.34Å; Y82-I84 PolarHBondContact O-N 2.88Å; I84-F87 PolarHBondContact O-N 3.47Å; I84-R88 PolarHBondContact O-N 3.44Å; I84-R88 VanDerWaalsContact O-N 3.12Å |
| 85 | V | 92.9 | Very high | 91.9 | Very high | 27 Ų | 27 | 70.6 Ų | 70.6 | 16% | 0.164 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.9 | -45.6 | -179.9 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | W61 W81 Y82 F87 R88 F89 | W61-V85 HydrophobicContact CD2-CG1 4.11Å; W61-V85 HydrophobicContact CG-CG1 4.24Å; W61-V85 HydrophobicContact CZ2-CG1 4.33Å; W81-V85 HydrophobicContact CD2-CG2 4.3Å; W81-V85 HydrophobicContact CZ2-CG2 4.11Å; W81-V85 WeakPolarHBondContact O-CG2 3.39Å; W81-V85 PolarHBondContact O-N 3.39Å; Y82-V85 PolarHBondContact O-N 3.4Å; V85-F87 VanDerWaalsContact C-N 3.34Å; V85-F87 PolarHBondContact O-N 3.48Å; V85-R88 WeakPolarHBondContact O-CB 3.3Å; V85-R88 PolarHBondContact O-N 2.86Å; V85-R88 VanDerWaalsContact O-N 3.13Å; V85-F89 HydrophobicContact CG1-CD2 4Å; V85-F89 HydrophobicContact CG1-CE2 3.34Å; V85-F89 HydrophobicContact CG1-CZ 4.05Å; V85-F89 VanDerWaalsContact O-CD2 3.29Å; V85-F89 WeakPolarHBondContact O-CD2 3.44Å; V85-F89 PolarHBondContact O-N 3.23Å |
| 86 | W | 92.6 | Very high | 91.9 | Very high | 55 Ų | 55 | 68.2 Ų | 68.2 | 21% | 0.208 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.9 | -46.5 | 174 | 166.2 | 79.3 | 0 | 0 | 0 | 111.5 | T63 Y82 I83 R88 F89 I90 | T63-W86 HydrophobicContact CG2-CZ2 3.7Å; T63-W86 PolarHBondContact OG1-NE1 3.11Å; Y82-W86 HydrophobicContact CD1-CB 4.21Å; Y82-W86 HydrophobicContact CE1-CB 4.03Å; Y82-W86 HydrophobicContact CE1-CG 4.48Å; Y82-W86 WeakPolarHBondContact O-CB 3.23Å; Y82-W86 PolarHBondContact O-N 3.2Å; I83-W86 HydrophobicContact CG2-CE3 4.48Å; W86-R88 PolarHBondContact O-N 2.94Å; W86-F89 PolarHBondContact O-N 3.43Å; W86-I90 HydrophobicContact CH2-CG2 4.45Å; W86-I90 HydrophobicContact CZ2-CB 4.49Å; W86-I90 HydrophobicContact CZ2-CG1 4.48Å; W86-I90 HydrophobicContact CZ2-CG2 4.29Å; W86-I90 PolarHBondContact O-N 2.93Å |
| 87 | F | 91.1 | Very high | 91.9 | Very high | 107 Ų | 107 | 63.3 Ų | 63.3 | 47% | 0.469 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.3 | -37.7 | 177.6 | 179.6 | -102.4 | 0 | 0 | 0 | 111.6 | I83 I84 V85 F89 I90 I91 | I83-F87 WeakPolarHBondContact O-CB 3.44Å; I83-F87 PolarHBondContact O-N 3.24Å; I84-F87 PolarHBondContact O-N 3.47Å; V85-F87 VanDerWaalsContact C-N 3.34Å; V85-F87 PolarHBondContact O-N 3.48Å; F87-F89 VanDerWaalsContact C-N 3.31Å; F87-F89 PolarHBondContact O-N 2.71Å; F87-I90 HydrophobicContact CD2-CG2 4.27Å; F87-I90 WeakPolarHBondContact O-CG2 3.44Å; F87-I91 HydrophobicContact CZ-CD1 4.43Å; F87-I91 WeakPolarHBondContact O-CB 3.1Å; F87-I91 WeakPolarHBondContact O-CG2 3.28Å; F87-I91 PolarHBondContact O-N 3.13Å |
| 88 | R | 91.5 | Very high | 91.7 | Very high | 84 Ų | 84 | 54.3 Ų | 54.3 | 32% | 0.317 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.3 | -36.3 | 176.5 | -179.2 | 57.5 | -178.4 | 130.1 | -23.9 | 112.6 | I84 V85 W86 I91 M92 E135 | I84-R88 PolarHBondContact O-N 3.44Å; I84-R88 VanDerWaalsContact O-N 3.12Å; V85-R88 WeakPolarHBondContact O-CB 3.3Å; V85-R88 PolarHBondContact O-N 2.86Å; V85-R88 VanDerWaalsContact O-N 3.13Å; W86-R88 PolarHBondContact O-N 2.94Å; R88-I91 VanDerWaalsContact O-CG2 3.29Å; R88-I91 WeakPolarHBondContact O-CG2 3.28Å; R88-M92 HydrophobicContact CG-CE 4.3Å; R88-M92 WeakPolarHBondContact O-CG 3.4Å; R88-E135 IonicContact CZ-OE1 3.94Å; R88-E135 IonicContact CZ-OE2 3.36Å; R88-E135 IonicContact NH1-OE1 2.75Å; R88-E135 PolarHBondContact NH1-OE1 2.93Å; R88-E135 IonicContact NH2-OE1 3.59Å; R88-E135 PolarHBondContact NH2-OE1 3.19Å; R88-E135 IonicContact NH2-OE2 2.86Å; R88-E135 PolarHBondContact NH2-OE2 3.42Å |
| 89 | F | 92.1 | Very high | 91.8 | Very high | 25 Ų | 25 | 49.8 Ų | 49.8 | 11% | 0.11 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -81.3 | -40.9 | 179.3 | -60.1 | -45.9 | 0 | 0 | 0 | 112.3 | H54 F57 W61 V85 W86 F87 I91 M92 | H54-F89 PolarHBondContact CD2-O 2.89Å; F57-F89 HydrophobicContact CB-CB 4.42Å; F57-F89 HydrophobicContact CB-CD1 3.28Å; F57-F89 HydrophobicContact CB-CD2 4.12Å; F57-F89 HydrophobicContact CB-CE1 3.36Å; F57-F89 HydrophobicContact CB-CE2 4.16Å; F57-F89 HydrophobicContact CB-CG 3.69Å; F57-F89 HydrophobicContact CB-CZ 3.82Å; F57-F89 AromaticContact CD1-CE1 3.89Å; F57-F89 HydrophobicContact CD1-CE1 3.89Å; F57-F89 AromaticContact CD1-CZ 4Å; F57-F89 HydrophobicContact CD1-CZ 4Å; F57-F89 HydrophobicContact CD2-CD1 4.1Å; F57-F89 AromaticContact CD2-CE1 3.79Å; F57-F89 HydrophobicContact CD2-CE1 3.79Å; F57-F89 AromaticContact CG-CD1 3.81Å; F57-F89 HydrophobicContact CG-CD1 3.81Å; F57-F89 AromaticContact CG-CE1 3.42Å; F57-F89 HydrophobicContact CG-CE1 3.42Å; F57-F89 VanDerWaalsContact CG-CE1 3.42Å; F57-F89 AromaticContact CG-CZ 3.94Å; F57-F89 HydrophobicContact CG-CZ 3.94Å; W61-F89 HydrophobicContact CB-CD2 4.01Å; W61-F89 HydrophobicContact CB-CE2 4.47Å; W61-F89 HydrophobicContact CD2-CD2 4.12Å; W61-F89 AromaticContact CD2-CE2 3.66Å; W61-F89 HydrophobicContact CD2-CE2 3.66Å; W61-F89 AromaticContact CE3-CD2 3.93Å; W61-F89 HydrophobicContact CE3-CD2 3.93Å; W61-F89 AromaticContact CE3-CE2 3.35Å; W61-F89 HydrophobicContact CE3-CE2 3.35Å; W61-F89 HydrophobicContact CE3-CZ 4.2Å; W61-F89 HydrophobicContact CG-CD2 4.14Å; W61-F89 HydrophobicContact CG-CE2 4.12Å; W61-F89 AromaticContact CZ3-CE2 3.86Å; W61-F89 HydrophobicContact CZ3-CE2 3.86Å; W61-F89 HydrophobicContact CZ3-CZ 4.3Å; V85-F89 HydrophobicContact CG1-CD2 4Å; V85-F89 HydrophobicContact CG1-CE2 3.34Å; V85-F89 HydrophobicContact CG1-CZ 4.05Å; V85-F89 VanDerWaalsContact O-CD2 3.29Å; V85-F89 WeakPolarHBondContact O-CD2 3.44Å; V85-F89 PolarHBondContact O-N 3.23Å; W86-F89 PolarHBondContact O-N 3.43Å; F87-F89 VanDerWaalsContact C-N 3.31Å; F87-F89 PolarHBondContact O-N 2.71Å; F89-I91 VanDerWaalsContact C-N 3.29Å; F89-I91 PolarHBondContact O-N 3.05Å; F89-M92 HydrophobicContact CD1-CE 4.25Å; F89-M92 HydrophobicContact CD1-SD 4.15Å; F89-M92 WeakPolarHBondContact O-CB 3.31Å; F89-M92 PolarHBondContact O-N 2.62Å |
| 90 | I | 90.5 | Very high | 91.8 | Very high | 18 Ų | 18 | 48.4 Ų | 48.4 | 9% | 0.092 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.4 | -35.2 | 177.5 | -162.2 | 66.5 | 0 | 0 | 0 | 111.6 | W86 F87 M92 R93 Y94 | W86-I90 HydrophobicContact CH2-CG2 4.45Å; W86-I90 HydrophobicContact CZ2-CB 4.49Å; W86-I90 HydrophobicContact CZ2-CG1 4.48Å; W86-I90 HydrophobicContact CZ2-CG2 4.29Å; W86-I90 PolarHBondContact O-N 2.93Å; F87-I90 HydrophobicContact CD2-CG2 4.27Å; F87-I90 WeakPolarHBondContact O-CG2 3.44Å; I90-M92 VanDerWaalsContact C-N 3.29Å; I90-M92 PolarHBondContact O-N 3.33Å; I90-R93 VanDerWaalsContact O-CB 3.28Å; I90-R93 WeakPolarHBondContact O-CB 3.37Å; I90-R93 PolarHBondContact O-N 2.77Å; I90-Y94 HydrophobicContact CG1-CE2 4.21Å; I90-Y94 WeakPolarHBondContact O-CD2 3.5Å |
| 91 | I | 90.6 | Very high | 91.7 | Very high | 17 Ų | 17 | 48.2 Ų | 48.2 | 9% | 0.087 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.6 | -30.6 | 178.1 | -160.3 | 67.3 | 0 | 0 | 0 | 112.2 | F87 R88 F89 R93 Y94 Q95 F134 | F87-I91 HydrophobicContact CZ-CD1 4.43Å; F87-I91 WeakPolarHBondContact O-CB 3.1Å; F87-I91 WeakPolarHBondContact O-CG2 3.28Å; F87-I91 PolarHBondContact O-N 3.13Å; R88-I91 VanDerWaalsContact O-CG2 3.29Å; R88-I91 WeakPolarHBondContact O-CG2 3.28Å; F89-I91 VanDerWaalsContact C-N 3.29Å; F89-I91 PolarHBondContact O-N 3.05Å; I91-R93 PolarHBondContact O-N 2.96Å; I91-Y94 HydrophobicContact CD1-CD2 4.29Å; I91-Y94 PolarHBondContact O-N 3.25Å; I91-Q95 HydrophobicContact CG1-CG 4.36Å; I91-Q95 WeakPolarHBondContact O-CG 3.26Å; I91-Q95 PolarHBondContact O-N 2.78Å; I91-F134 HydrophobicContact CD1-CZ 4.28Å; I91-F134 HydrophobicContact CG1-CE1 4.11Å; I91-F134 HydrophobicContact CG1-CZ 3.79Å |
| 92 | M | 92 | Very high | 91.6 | Very high | 20 Ų | 20 | 40 Ų | 40 | 10% | 0.099 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.5 | -34.7 | 176.3 | -68.4 | 178.8 | 178.2 | 0 | 0 | 112 | F50 H54 R88 F89 I90 Y94 Q95 A96 | F50-M92 HydrophobicContact CB-CB 4.46Å; F50-M92 HydrophobicContact CD1-CB 4.27Å; F50-M92 HydrophobicContact CD1-CG 3.92Å; H54-M92 HydrophobicContact CB-CB 3.98Å; R88-M92 HydrophobicContact CG-CE 4.3Å; R88-M92 WeakPolarHBondContact O-CG 3.4Å; F89-M92 HydrophobicContact CD1-CE 4.25Å; F89-M92 HydrophobicContact CD1-SD 4.15Å; F89-M92 WeakPolarHBondContact O-CB 3.31Å; F89-M92 PolarHBondContact O-N 2.62Å; I90-M92 VanDerWaalsContact C-N 3.29Å; I90-M92 PolarHBondContact O-N 3.33Å; M92-Y94 VanDerWaalsContact C-N 3.32Å; M92-Y94 PolarHBondContact O-N 2.77Å; M92-Q95 PolarHBondContact O-N 3.37Å; M92-A96 VanDerWaalsContact O-CB 3.3Å; M92-A96 WeakPolarHBondContact O-CB 3.39Å; M92-A96 PolarHBondContact O-N 2.97Å |
| 93 | R | 91.9 | Very high | 91.5 | Very high | 99 Ų | 99 | 38.6 Ų | 38.6 | 37% | 0.374 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -56.1 | -48.4 | 173.2 | -176.8 | -175.7 | 169.9 | 177.7 | -0.1 | 111.4 | I90 I91 A96 V97 | I90-R93 VanDerWaalsContact O-CB 3.28Å; I90-R93 WeakPolarHBondContact O-CB 3.37Å; I90-R93 PolarHBondContact O-N 2.77Å; I91-R93 PolarHBondContact O-N 2.96Å; R93-A96 PolarHBondContact O-N 2.78Å; R93-V97 VanDerWaalsContact O-CG2 3.3Å; R93-V97 WeakPolarHBondContact O-CG2 3.44Å; R93-V97 PolarHBondContact O-N 3.43Å; R93-V97 VanDerWaalsContact O-N 3.1Å |
| 94 | Y | 89.1 | Confident | 91.5 | Very high | 39 Ų | 39 | 38.6 Ų | 38.6 | 15% | 0.153 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72.6 | -39.6 | -177.2 | -62.8 | -67.3 | 0 | 0 | 0 | 111.6 | F4 I90 I91 M92 A96 V97 W98 | F4-Y94 HydrophobicContact CB-CE1 4.19Å; F4-Y94 AromaticContact CD1-CD1 3.2Å; F4-Y94 HydrophobicContact CD1-CD1 3.2Å; F4-Y94 AromaticContact CD1-CE1 3.27Å; F4-Y94 HydrophobicContact CD1-CE1 3.27Å; F4-Y94 HydrophobicContact CD1-CG 4.21Å; F4-Y94 AromaticContact CE1-CD1 3.11Å; F4-Y94 HydrophobicContact CE1-CD1 3.11Å; F4-Y94 AromaticContact CE1-CE1 3.6Å; F4-Y94 HydrophobicContact CE1-CE1 3.6Å; F4-Y94 AromaticContact CE1-CG 3.68Å; F4-Y94 HydrophobicContact CE1-CG 3.68Å; F4-Y94 HydrophobicContact CG-CD1 4.12Å; F4-Y94 AromaticContact CG-CE1 3.75Å; F4-Y94 HydrophobicContact CG-CE1 3.75Å; F4-Y94 HydrophobicContact CZ-CD1 4Å; F4-Y94 HydrophobicContact CZ-CE1 4.33Å; F4-Y94 HydrophobicContact CZ-CG 4.26Å; I90-Y94 HydrophobicContact CG1-CE2 4.21Å; I90-Y94 WeakPolarHBondContact O-CD2 3.5Å; I91-Y94 HydrophobicContact CD1-CD2 4.29Å; I91-Y94 PolarHBondContact O-N 3.25Å; M92-Y94 VanDerWaalsContact C-N 3.32Å; M92-Y94 PolarHBondContact O-N 2.77Å; Y94-A96 VanDerWaalsContact C-N 3.32Å; Y94-A96 PolarHBondContact O-N 3.49Å; Y94-V97 PolarHBondContact O-N 2.95Å; Y94-W98 WeakPolarHBondContact O-CB 3.34Å; Y94-W98 VanDerWaalsContact O-CE3 3.31Å; Y94-W98 PolarHBondContact O-N 2.68Å |
| 95 | Q | 91.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57 | -47.1 | 172.7 | -66.4 | 177.9 | -8.5 | 0 | 0 | 111 | F50 I91 M92 L99 F129 E135 | F50-Q95 HydrophobicContact CB-CB 4.32Å; F50-Q95 HydrophobicContact CD1-CB 4.48Å; F50-Q95 HydrophobicContact CD2-CB 3.96Å; F50-Q95 HydrophobicContact CE2-CB 4.44Å; F50-Q95 HydrophobicContact CG-CB 4Å; I91-Q95 HydrophobicContact CG1-CG 4.36Å; I91-Q95 WeakPolarHBondContact O-CG 3.26Å; I91-Q95 PolarHBondContact O-N 2.78Å; M92-Q95 PolarHBondContact O-N 3.37Å; Q95-L99 VanDerWaalsContact O-CB 3.28Å; Q95-L99 WeakPolarHBondContact O-CB 3.12Å; Q95-L99 WeakPolarHBondContact O-CD1 3.33Å; Q95-L99 VanDerWaalsContact O-CG 3.23Å; Q95-L99 WeakPolarHBondContact O-CG 3.28Å; Q95-L99 PolarHBondContact O-N 3.35Å; Q95-F129 HydrophobicContact CB-CE1 4.31Å; Q95-F129 HydrophobicContact CG-CD1 4.36Å; Q95-F129 HydrophobicContact CG-CE1 3.59Å; Q95-F129 HydrophobicContact CG-CE2 4.36Å; Q95-F129 HydrophobicContact CG-CZ 3.6Å; Q95-E135 PolarHBondContact NE2-OE1 3.16Å |
| 96 | A | 92.6 | Very high | 91.2 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.9 | -53.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G47 F50 A51 M92 R93 Y94 W98 L99 I100 | G47-A96 WeakPolarHBondContact O-CA 3.38Å; G47-A96 VanDerWaalsContact O-CB 3.28Å; G47-A96 WeakPolarHBondContact O-CB 3.37Å; F50-A96 HydrophobicContact CB-CB 3.92Å; A51-A96 HydrophobicContact CB-CB 3.87Å; M92-A96 VanDerWaalsContact O-CB 3.3Å; M92-A96 WeakPolarHBondContact O-CB 3.39Å; M92-A96 PolarHBondContact O-N 2.97Å; R93-A96 PolarHBondContact O-N 2.78Å; Y94-A96 VanDerWaalsContact C-N 3.32Å; Y94-A96 PolarHBondContact O-N 3.49Å; A96-W98 PolarHBondContact O-N 3.19Å; A96-L99 PolarHBondContact O-N 3.24Å; A96-I100 WeakPolarHBondContact O-CB 3.09Å; A96-I100 WeakPolarHBondContact O-CD1 3.05Å; A96-I100 WeakPolarHBondContact O-CG1 3.21Å; A96-I100 PolarHBondContact O-N 3.29Å |
| 97 | V | 91.5 | Very high | 91 | Very high | 39 Ų | 39 | 34.8 Ų | 34.8 | 24% | 0.236 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58 | -49.4 | -179.1 | 163.5 | 0 | 0 | 0 | 0 | 112 | W5 R93 Y94 A101 | W5-V97 HydrophobicContact CE3-CG1 3.83Å; W5-V97 HydrophobicContact CH2-CB 4.07Å; W5-V97 HydrophobicContact CH2-CG1 3.46Å; W5-V97 VanDerWaalsContact CH2-CG1 3.46Å; W5-V97 HydrophobicContact CH2-CG2 3.39Å; W5-V97 HydrophobicContact CZ2-CG1 4.42Å; W5-V97 HydrophobicContact CZ2-CG2 4.21Å; W5-V97 HydrophobicContact CZ3-CB 4.18Å; W5-V97 HydrophobicContact CZ3-CG1 3.11Å; W5-V97 HydrophobicContact CZ3-CG2 3.98Å; R93-V97 VanDerWaalsContact O-CG2 3.3Å; R93-V97 WeakPolarHBondContact O-CG2 3.44Å; R93-V97 PolarHBondContact O-N 3.43Å; R93-V97 VanDerWaalsContact O-N 3.1Å; Y94-V97 PolarHBondContact O-N 2.95Å; V97-A101 VanDerWaalsContact O-CB 3.23Å; V97-A101 WeakPolarHBondContact O-CB 3.39Å; V97-A101 PolarHBondContact O-N 3.11Å |
| 98 | W | 89.2 | Confident | 90.7 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 3% | 0.03 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.1 | -43.7 | -178.7 | -72.4 | -40 | 0 | 0 | 0 | 112.1 | F4 Y94 A96 A101 E102 F129 F147 N148 | F4-W98 HydrophobicContact CD1-CZ2 4.25Å; F4-W98 AromaticContact CE1-CE2 3.59Å; F4-W98 AromaticContact CE1-CH2 3.62Å; F4-W98 HydrophobicContact CE1-CH2 3.62Å; F4-W98 AromaticContact CE1-CZ2 3.07Å; F4-W98 HydrophobicContact CE1-CZ2 3.07Å; F4-W98 HydrophobicContact CE1-CZ3 4.49Å; F4-W98 HydrophobicContact CE2-CZ2 4.26Å; F4-W98 AromaticContact CZ-CH2 3.34Å; F4-W98 HydrophobicContact CZ-CH2 3.34Å; F4-W98 AromaticContact CZ-CZ2 3.1Å; F4-W98 HydrophobicContact CZ-CZ2 3.1Å; F4-W98 HydrophobicContact CZ-CZ3 4.45Å; Y94-W98 WeakPolarHBondContact O-CB 3.34Å; Y94-W98 VanDerWaalsContact O-CE3 3.31Å; Y94-W98 PolarHBondContact O-N 2.68Å; A96-W98 PolarHBondContact O-N 3.19Å; W98-A101 PolarHBondContact O-N 2.86Å; W98-E102 WeakPolarHBondContact O-CB 3.33Å; W98-E102 VanDerWaalsContact O-CG 3.26Å; W98-E102 WeakPolarHBondContact O-CG 3.39Å; W98-E102 PolarHBondContact O-N 2.95Å; W98-F129 HydrophobicContact CB-CB 4Å; W98-F129 HydrophobicContact CD2-CB 4.41Å; W98-F129 HydrophobicContact CD2-CD2 4.42Å; W98-F129 HydrophobicContact CE3-CB 4Å; W98-F129 AromaticContact CE3-CD2 3.37Å; W98-F129 HydrophobicContact CE3-CD2 3.37Å; W98-F129 HydrophobicContact CE3-CE2 4.02Å; W98-F129 AromaticContact CE3-CG 3.8Å; W98-F129 HydrophobicContact CE3-CG 3.8Å; W98-F129 HydrophobicContact CG-CB 4.49Å; W98-F129 HydrophobicContact CH2-CD2 4.4Å; W98-F129 AromaticContact CZ3-CD2 3.38Å; W98-F129 HydrophobicContact CZ3-CD2 3.38Å; W98-F129 AromaticContact CZ3-CE2 3.68Å; W98-F129 HydrophobicContact CZ3-CE2 3.68Å; W98-F129 HydrophobicContact CZ3-CG 4.27Å; W98-F147 HydrophobicContact CH2-CB 4.15Å; W98-F147 HydrophobicContact CZ3-CB 4.32Å; W98-N148 HydrophobicContact CZ2-CB 4.19Å |
| 99 | L | 91.9 | Very high | 90.3 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.1 | -39.9 | -179.5 | -72.4 | 167.7 | 0 | 0 | 0 | 112.3 | P46 F50 Q95 A96 G103 L131 | P46-L99 HydrophobicContact CB-CD1 4.11Å; F50-L99 HydrophobicContact CD2-CD1 3.73Å; F50-L99 HydrophobicContact CE2-CD1 3.93Å; Q95-L99 VanDerWaalsContact O-CB 3.28Å; Q95-L99 WeakPolarHBondContact O-CB 3.12Å; Q95-L99 WeakPolarHBondContact O-CD1 3.33Å; Q95-L99 VanDerWaalsContact O-CG 3.23Å; Q95-L99 WeakPolarHBondContact O-CG 3.28Å; Q95-L99 PolarHBondContact O-N 3.35Å; A96-L99 PolarHBondContact O-N 3.24Å; L99-G103 PolarHBondContact O-N 3.02Å; L99-L131 HydrophobicContact CD1-CD2 4.39Å |
| 100 | I | 92.5 | Very high | 89.9 | Confident | 52 Ų | 52 | 31.8 Ų | 31.8 | 27% | 0.267 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65.1 | -47.4 | 175.1 | -66.5 | 166.6 | 0 | 0 | 0 | 109.9 | L44 L48 A96 E102 G103 V104 | L44-I100 HydrophobicContact CD1-CB 4.45Å; L44-I100 HydrophobicContact CD1-CG1 4.12Å; L44-I100 HydrophobicContact CD1-CG2 4.1Å; L48-I100 HydrophobicContact CD2-CD1 4.28Å; A96-I100 WeakPolarHBondContact O-CB 3.09Å; A96-I100 WeakPolarHBondContact O-CD1 3.05Å; A96-I100 WeakPolarHBondContact O-CG1 3.21Å; A96-I100 PolarHBondContact O-N 3.29Å; I100-E102 VanDerWaalsContact C-N 3.34Å; I100-E102 PolarHBondContact O-N 3.46Å; I100-G103 PolarHBondContact O-N 3.19Å; I100-G103 VanDerWaalsContact O-N 3.11Å; I100-V104 WeakPolarHBondContact O-CG2 3.38Å; I100-V104 PolarHBondContact O-N 3.43Å |
| 101 | A | 91.4 | Very high | 89.4 | Confident | 26 Ų | 26 | 30.9 Ų | 30.9 | 22% | 0.215 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.3 | -38.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P8 V97 W98 V104 C105 | P8-A101 HydrophobicContact CG-CB 3.81Å; V97-A101 VanDerWaalsContact O-CB 3.23Å; V97-A101 WeakPolarHBondContact O-CB 3.39Å; V97-A101 PolarHBondContact O-N 3.11Å; W98-A101 PolarHBondContact O-N 2.86Å; A101-V104 PolarHBondContact O-N 3.04Å; A101-C105 WeakPolarHBondContact O-CB 3.39Å; A101-C105 PolarHBondContact O-N 3.25Å; A101-C105 PolarHBondContact O-SG 3.04Å |
| 102 | E | 90.5 | Very high | 88.9 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.4 | -45.5 | 170 | -80.4 | 179.8 | -159.5 | 0 | 0 | 111.5 | P8 R43 W98 I100 V104 C105 I106 N128 F129 | P8-E102 HydrophobicContact CB-CG 4.41Å; P8-E102 HydrophobicContact CG-CG 4.15Å; R43-E102 HydrophobicContact CG-CB 4.49Å; R43-E102 IonicContact CZ-OE2 3.3Å; R43-E102 IonicContact NH1-OE2 3.63Å; R43-E102 PolarHBondContact NH1-OE2 2.88Å; W98-E102 WeakPolarHBondContact O-CB 3.33Å; W98-E102 VanDerWaalsContact O-CG 3.26Å; W98-E102 WeakPolarHBondContact O-CG 3.39Å; W98-E102 PolarHBondContact O-N 2.95Å; I100-E102 VanDerWaalsContact C-N 3.34Å; I100-E102 PolarHBondContact O-N 3.46Å; E102-V104 PolarHBondContact O-N 3.24Å; E102-C105 PolarHBondContact O-N 3.38Å; E102-I106 WeakPolarHBondContact O-CB 3.32Å; E102-I106 VanDerWaalsContact O-CG1 3.24Å; E102-I106 WeakPolarHBondContact O-CG1 3.17Å; E102-I106 PolarHBondContact O-N 3.26Å; E102-N128 WeakPolarHBondContact OE1-CA 3.44Å; E102-N128 PolarHBondContact OE1-N 2.95Å; E102-F129 PolarHBondContact OE1-N 2.95Å |
| 103 | G | 91.2 | Very high | 88.4 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | A40 L99 I100 I106 L107 | A40-G103 WeakPolarHBondContact CB-O 3.35Å; L99-G103 PolarHBondContact O-N 3.02Å; I100-G103 PolarHBondContact O-N 3.19Å; I100-G103 VanDerWaalsContact O-N 3.11Å; G103-I106 PolarHBondContact O-N 3.4Å; G103-L107 WeakPolarHBondContact O-CB 3.4Å; G103-L107 PolarHBondContact O-N 3.37Å |
| 104 | V | 91.4 | Very high | 87.8 | Confident | 78 Ų | 78 | 29.7 Ų | 29.7 | 47% | 0.473 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.3 | -42.5 | 175.9 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | I100 A101 E102 L107 N108 | I100-V104 WeakPolarHBondContact O-CG2 3.38Å; I100-V104 PolarHBondContact O-N 3.43Å; A101-V104 PolarHBondContact O-N 3.04Å; E102-V104 PolarHBondContact O-N 3.24Å; V104-L107 PolarHBondContact O-N 2.92Å; V104-N108 PolarHBondContact O-N 3.05Å; V104-N108 PolarHBondContact O-ND2 2.73Å |
| 105 | C | 89.5 | Confident | 87.2 | Confident | 9 Ų | 9 | 31 Ų | 31 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.6 | -49.4 | 176.8 | -68.3 | 0 | 0 | 0 | 0 | 111.1 | A101 E102 L107 N108 G109 L110 V126 | A101-C105 WeakPolarHBondContact O-CB 3.39Å; A101-C105 PolarHBondContact O-N 3.25Å; A101-C105 PolarHBondContact O-SG 3.04Å; E102-C105 PolarHBondContact O-N 3.38Å; C105-L107 VanDerWaalsContact C-N 3.29Å; C105-L107 PolarHBondContact O-N 3.42Å; C105-N108 CarbonylContact O-C 3.59Å; C105-N108 PolarHBondContact O-N 2.9Å; C105-G109 PolarHBondContact O-N 3.47Å; C105-L110 CarbonylContact C-O 3.15Å; C105-L110 HydrophobicContact CB-CB 4.03Å; C105-L110 WeakPolarHBondContact O-CA 3.28Å; C105-L110 WeakPolarHBondContact O-CB 3.5Å; C105-L110 PolarHBondContact O-N 2.91Å; C105-L110 VanDerWaalsContact O-O 3.11Å; C105-V126 HydrophobicContact CB-CB 4.29Å; C105-V126 HydrophobicContact CB-CG1 4.35Å; C105-V126 HydrophobicContact CB-CG2 3.75Å |
| 106 | I | 89.6 | Confident | 86.6 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.1 | -46.3 | 178.3 | -72 | 167 | 0 | 0 | 0 | 110.1 | S36 P39 A40 R43 E102 G103 N108 G109 L110 W123 V126 | S36-I106 WeakPolarHBondContact CB-O 3.37Å; S36-I106 WeakPolarHBondContact O-CG2 3.38Å; P39-I106 HydrophobicContact CB-CG2 4.07Å; P39-I106 HydrophobicContact CG-CG2 4.02Å; A40-I106 HydrophobicContact CB-CB 4.26Å; A40-I106 HydrophobicContact CB-CG2 3.85Å; R43-I106 HydrophobicContact CG-CD1 3.7Å; E102-I106 WeakPolarHBondContact O-CB 3.32Å; E102-I106 VanDerWaalsContact O-CG1 3.24Å; E102-I106 WeakPolarHBondContact O-CG1 3.17Å; E102-I106 PolarHBondContact O-N 3.26Å; G103-I106 PolarHBondContact O-N 3.4Å; I106-N108 PolarHBondContact O-N 3.41Å; I106-G109 WeakPolarHBondContact O-CA 3.36Å; I106-G109 PolarHBondContact O-N 2.98Å; I106-L110 VanDerWaalsContact CA-O 3.28Å; I106-L110 WeakPolarHBondContact CA-O 3.46Å; I106-L110 PolarHBondContact N-O 3.2Å; I106-W123 HydrophobicContact CB-CE3 4.15Å; I106-W123 HydrophobicContact CD1-CB 4.03Å; I106-W123 HydrophobicContact CG1-CB 4.18Å; I106-W123 HydrophobicContact CG1-CE3 4.14Å; I106-W123 HydrophobicContact CG2-CB 4.31Å; I106-W123 HydrophobicContact CG2-CD2 3.82Å; I106-W123 HydrophobicContact CG2-CE3 3.56Å; I106-W123 HydrophobicContact CG2-CG 4.17Å; I106-W123 HydrophobicContact CG2-CZ3 4.05Å; I106-W123 WeakPolarHBondContact O-CZ3 3.41Å; I106-V126 HydrophobicContact CG1-CG2 4.29Å |
| 107 | L | 88.3 | Confident | 86 | Confident | 95 Ų | 95 | 45.6 Ų | 45.6 | 50% | 0.497 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -56.2 | -37 | 179.2 | -171.8 | 64.7 | 0 | 0 | 0 | 112.5 | S36 V37 A40 G103 V104 C105 G109 | S36-L107 PolarHBondContact OG-O 2.93Å; S36-L107 VanDerWaalsContact OG-O 3.11Å; V37-L107 HydrophobicContact CG2-CD1 4.15Å; A40-L107 HydrophobicContact CB-CB 4.01Å; A40-L107 HydrophobicContact CB-CD1 4.32Å; G103-L107 WeakPolarHBondContact O-CB 3.4Å; G103-L107 PolarHBondContact O-N 3.37Å; V104-L107 PolarHBondContact O-N 2.92Å; C105-L107 VanDerWaalsContact C-N 3.29Å; C105-L107 PolarHBondContact O-N 3.42Å; L107-G109 PolarHBondContact O-N 3.46Å |
| 108 | N | 86 | Confident | 85.5 | Confident | 114 Ų | 114 | 48 Ų | 48 | 61% | 0.61 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 10 | 176.1 | -72 | -86.4 | 0 | 0 | 0 | 113.8 | V104 C105 I106 L110 | V104-N108 PolarHBondContact O-N 3.05Å; V104-N108 PolarHBondContact O-ND2 2.73Å; C105-N108 CarbonylContact O-C 3.59Å; C105-N108 PolarHBondContact O-N 2.9Å; I106-N108 PolarHBondContact O-N 3.41Å; N108-L110 PolarHBondContact O-N 2.94Å |
| 109 | G | 83.7 | Confident | 84.9 | Confident | 8 Ų | 8 | 50 Ų | 50 | 8% | 0.082 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | C105 I106 L107 G111 H112 | C105-G109 PolarHBondContact O-N 3.47Å; I106-G109 WeakPolarHBondContact O-CA 3.36Å; I106-G109 PolarHBondContact O-N 2.98Å; L107-G109 PolarHBondContact O-N 3.46Å; G109-G111 PolarHBondContact O-N 3.48Å; G109-H112 PolarHBondContact O-N 3.41Å |
| 110 | L | 82.3 | Confident | 84.4 | Confident | 31 Ų | 31 | 55.7 Ų | 55.7 | 16% | 0.162 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 125.2 | 179.5 | -60.7 | 170.5 | 0 | 0 | 0 | 109.9 | C9 Y12 F17 L20 C105 I106 N108 V126 | C9-L110 HydrophobicContact CB-CD1 4.45Å; Y12-L110 HydrophobicContact CD1-CD2 3.99Å; Y12-L110 HydrophobicContact CE1-CD2 3.93Å; F17-L110 HydrophobicContact CD2-CD2 3.77Å; F17-L110 HydrophobicContact CE2-CD2 4.07Å; L20-L110 HydrophobicContact CD2-CD2 3.64Å; L20-L110 HydrophobicContact CD2-CG 4.31Å; C105-L110 CarbonylContact C-O 3.15Å; C105-L110 HydrophobicContact CB-CB 4.03Å; C105-L110 WeakPolarHBondContact O-CA 3.28Å; C105-L110 WeakPolarHBondContact O-CB 3.5Å; C105-L110 PolarHBondContact O-N 2.91Å; C105-L110 VanDerWaalsContact O-O 3.11Å; I106-L110 VanDerWaalsContact CA-O 3.28Å; I106-L110 WeakPolarHBondContact CA-O 3.46Å; I106-L110 PolarHBondContact N-O 3.2Å; N108-L110 PolarHBondContact O-N 2.94Å; L110-V126 HydrophobicContact CB-CG1 4.28Å |
| 111 | G | 80.2 | Confident | 83.7 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 103.4 | -2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G109 N113 W123 D124 G125 | G109-G111 PolarHBondContact O-N 3.48Å; G111-N113 PolarHBondContact O-N 3.27Å; G111-W123 CarbonylContact O-C 3.52Å; G111-W123 WeakPolarHBondContact O-CA 3.03Å; G111-D124 PolarHBondContact O-N 3.42Å; G111-D124 VanDerWaalsContact O-N 3.12Å; G111-G125 PolarHBondContact O-N 3.22Å |
| 112 | H | 80.9 | Confident | 83.4 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.009 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 135.8 | 165.3 | -171.6 | -106.3 | 0 | 0 | 0 | 110.3 | Y25 G109 L122 W123 | Y25-H112 VanDerWaalsContact CB-ND1 3.27Å; Y25-H112 WeakPolarHBondContact CB-ND1 3.09Å; Y25-H112 AromaticContact CD1-CE1 3.66Å; Y25-H112 AromaticContact CD1-ND1 3.14Å; Y25-H112 WeakPolarHBondContact CD1-ND1 3.35Å; Y25-H112 HydrophobicContact CD2-CB 4.44Å; Y25-H112 AromaticContact CD2-ND1 3.83Å; Y25-H112 AromaticContact CE1-ND1 3.89Å; Y25-H112 AromaticContact CG-CE1 3.87Å; Y25-H112 AromaticContact CG-ND1 3.12Å; G109-H112 PolarHBondContact O-N 3.41Å; H112-L122 CarbonylContact C-O 3.58Å; H112-W123 HydrophobicContact CB-CE3 4.07Å; H112-W123 HydrophobicContact CB-CH2 4.07Å; H112-W123 HydrophobicContact CB-CZ3 3.75Å; H112-W123 AromaticContact CD2-CZ2 3.88Å |
| 113 | N | 80.3 | Confident | 83 | Confident | 34 Ų | 34 | 58.7 Ų | 58.7 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 149.6 | 179.8 | -171.9 | 18.2 | 0 | 0 | 0 | 106.8 | G111 L122 D124 | G111-N113 PolarHBondContact O-N 3.27Å; N113-L122 WeakPolarHBondContact CA-O 3.23Å; N113-L122 HydrophobicContact CB-CB 4.32Å; N113-L122 WeakPolarHBondContact CB-O 3.4Å; N113-L122 PolarHBondContact N-O 3.06Å; N113-L122 WeakPolarHBondContact O-CA 3.23Å; N113-L122 PolarHBondContact O-N 3.41Å; N113-D124 WeakPolarHBondContact CB-OD1 3.36Å; N113-D124 PolarHBondContact ND2-OD1 2.99Å |
| 114 | I | 79.3 | Confident | 82.6 | Confident | 75 Ų | 75 | 60.5 Ų | 60.5 | 39% | 0.385 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 128.2 | 180 | -60.5 | 174.5 | 0 | 0 | 0 | 107.6 | Y25 | Y25-I114 HydrophobicContact CD1-CD1 4.27Å |
| 115 | H | 78.1 | Confident | 82.1 | Confident | 66 Ų | 66 | 57 Ų | 57 | 31% | 0.306 | 31% | 0.309 | S | S | . | . | trans | -65.6 | 123.9 | 177.8 | -174 | -101.1 | 0 | 0 | 0 | 109.9 | K117 T118 G119 E120 L122 | H115-K117 PolarHBondContact O-N 3.15Å; H115-T118 VanDerWaalsContact CB-OG1 3.3Å; H115-T118 WeakPolarHBondContact CB-OG1 3.47Å; H115-T118 VanDerWaalsContact CG-OG1 3.31Å; H115-T118 PolarHBondContact ND1-N 3.2Å; H115-T118 PolarHBondContact ND1-OG1 3.43Å; H115-T118 PolarHBondContact O-N 3.27Å; H115-G119 PolarHBondContact O-N 3.31Å; H115-E120 HydrophobicContact CB-CB 4.36Å; H115-E120 PolarHBondContact N-O 3.14Å; H115-L122 HydrophobicContact CB-CD1 3.73Å; H115-L122 HydrophobicContact CB-CG 4.17Å | ||
| 116 | P | 78.2 | Confident | 81.9 | Confident | 121 Ų | 121 | 56.7 Ų | 56.7 | 79% | 0.786 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -20.4 | -166.5 | 24.7 | -35.6 | 0 | 0 | 0 | 114.2 | ||
| 117 | K | 80.1 | Confident | 81.7 | Confident | 190 Ų | 190 | 59.5 Ų | 59.5 | 83% | 0.826 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -30.2 | -178.4 | -61.2 | -173.2 | 178 | -175.6 | 0 | 114.2 | H115 | H115-K117 PolarHBondContact O-N 3.15Š|
| 118 | T | 81.8 | Confident | 81.5 | Confident | 91 Ų | 91 | 55 Ų | 55 | 56% | 0.558 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | -15 | -172.4 | 58.6 | 0 | 0 | 0 | 0 | 112.3 | H115 E120 | H115-T118 VanDerWaalsContact CB-OG1 3.3Å; H115-T118 WeakPolarHBondContact CB-OG1 3.47Å; H115-T118 VanDerWaalsContact CG-OG1 3.31Å; H115-T118 PolarHBondContact ND1-N 3.2Å; H115-T118 PolarHBondContact ND1-OG1 3.43Å; H115-T118 PolarHBondContact O-N 3.27Å; T118-E120 PolarHBondContact O-N 3.01Å; T118-E120 WeakPolarHBondContact OG1-CB 3.27Å; T118-E120 PolarHBondContact OG1-N 3.17Å |
| 119 | G | 76.8 | Confident | 81.6 | Confident | 49 Ų | 49 | 49.5 Ų | 49.5 | 51% | 0.505 | 27% | 0.265 | S | S | . | . | trans | 68.9 | 6.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H115 | H115-G119 PolarHBondContact O-N 3.31Š| ||
| 120 | E | 80.3 | Confident | 81.9 | Confident | 123 Ų | 123 | 52.9 Ų | 52.9 | 58% | 0.575 | 28% | 0.275 | S | S | * | . | trans | -68.1 | 137.3 | -179.3 | -170.7 | -178.6 | 174.2 | 0 | 0 | 110.7 | H115 T118 L122 | H115-E120 HydrophobicContact CB-CB 4.36Å; H115-E120 PolarHBondContact N-O 3.14Å; T118-E120 PolarHBondContact O-N 3.01Å; T118-E120 WeakPolarHBondContact OG1-CB 3.27Å; T118-E120 PolarHBondContact OG1-N 3.17Å; E120-L122 PolarHBondContact O-N 3.12Å | ||
| 121 | Q | 78.6 | Confident | 82.1 | Confident | 78 Ų | 78 | 53.5 Ų | 53.5 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 112.1 | 175.1 | -62.7 | -177.4 | 14.7 | 0 | 0 | 109.6 | ||
| 122 | L | 83.9 | Confident | 82.5 | Confident | 42 Ų | 42 | 57.6 Ų | 57.6 | 22% | 0.22 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 128.5 | 176.3 | -63.9 | 177.7 | 0 | 0 | 0 | 110.2 | H112 N113 H115 E120 D124 | H112-L122 CarbonylContact C-O 3.58Å; N113-L122 WeakPolarHBondContact CA-O 3.23Å; N113-L122 HydrophobicContact CB-CB 4.32Å; N113-L122 WeakPolarHBondContact CB-O 3.4Å; N113-L122 PolarHBondContact N-O 3.06Å; N113-L122 WeakPolarHBondContact O-CA 3.23Å; N113-L122 PolarHBondContact O-N 3.41Å; H115-L122 HydrophobicContact CB-CD1 3.73Å; H115-L122 HydrophobicContact CB-CG 4.17Å; E120-L122 PolarHBondContact O-N 3.12Å; L122-D124 PolarHBondContact O-N 2.8Å |
| 123 | W | 83 | Confident | 82.9 | Confident | 22 Ų | 22 | 60.7 Ų | 60.7 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 65.4 | 172.5 | -64.2 | 92.5 | 0 | 0 | 0 | 109.6 | P34 P39 I106 G111 H112 R127 | P34-W123 HydrophobicContact CB-CH2 4.04Å; P34-W123 HydrophobicContact CB-CZ2 3.89Å; P34-W123 HydrophobicContact CG-CH2 3.81Å; P34-W123 HydrophobicContact CG-CZ2 4.2Å; P39-W123 HydrophobicContact CB-CB 3.97Å; P39-W123 HydrophobicContact CB-CD2 4.44Å; P39-W123 HydrophobicContact CB-CG 3.7Å; P39-W123 HydrophobicContact CG-CB 4.47Å; P39-W123 HydrophobicContact CG-CD2 4Å; P39-W123 HydrophobicContact CG-CG 3.69Å; I106-W123 HydrophobicContact CB-CE3 4.15Å; I106-W123 HydrophobicContact CD1-CB 4.03Å; I106-W123 HydrophobicContact CG1-CB 4.18Å; I106-W123 HydrophobicContact CG1-CE3 4.14Å; I106-W123 HydrophobicContact CG2-CB 4.31Å; I106-W123 HydrophobicContact CG2-CD2 3.82Å; I106-W123 HydrophobicContact CG2-CE3 3.56Å; I106-W123 HydrophobicContact CG2-CG 4.17Å; I106-W123 HydrophobicContact CG2-CZ3 4.05Å; I106-W123 WeakPolarHBondContact O-CZ3 3.41Å; G111-W123 CarbonylContact O-C 3.52Å; G111-W123 WeakPolarHBondContact O-CA 3.03Å; H112-W123 HydrophobicContact CB-CE3 4.07Å; H112-W123 HydrophobicContact CB-CH2 4.07Å; H112-W123 HydrophobicContact CB-CZ3 3.75Å; H112-W123 AromaticContact CD2-CZ2 3.88Å; W123-R127 PolarHBondContact O-NH2 3.01Å; W123-R127 VanDerWaalsContact O-NH2 3.1Å |
| 124 | D | 83.1 | Confident | 83.4 | Confident | 41 Ų | 41 | 60.2 Ų | 60.2 | 22% | 0.219 | 32% | 0.317 | C | S | . | . | trans | -126.9 | -4.7 | -174.5 | 78.9 | -13.8 | 0 | 0 | 0 | 114.8 | G111 N113 L122 V126 R127 | G111-D124 PolarHBondContact O-N 3.42Å; G111-D124 VanDerWaalsContact O-N 3.12Å; N113-D124 WeakPolarHBondContact CB-OD1 3.36Å; N113-D124 PolarHBondContact ND2-OD1 2.99Å; L122-D124 PolarHBondContact O-N 2.8Å; D124-V126 PolarHBondContact O-N 3.46Å; D124-R127 HydrophobicContact CB-CB 4.43Å; D124-R127 VanDerWaalsContact CB-NH2 3.29Å; D124-R127 WeakPolarHBondContact O-CB 3.43Å; D124-R127 PolarHBondContact O-N 2.91Å; D124-R127 VanDerWaalsContact O-N 3.09Å | ||
| 125 | G | 80.9 | Confident | 83.9 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 6% | 0.062 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -20.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | G111 | G111-G125 PolarHBondContact O-N 3.22Š|
| 126 | V | 84.6 | Confident | 84.5 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 13.4 | 176.4 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | P8 Y12 C105 I106 L110 D124 N128 | P8-V126 HydrophobicContact CB-CB 4.16Å; P8-V126 WeakPolarHBondContact CB-O 3.46Å; Y12-V126 HydrophobicContact CD2-CG1 3.51Å; Y12-V126 HydrophobicContact CE2-CG1 4.15Å; Y12-V126 HydrophobicContact CG-CG1 4.07Å; C105-V126 HydrophobicContact CB-CB 4.29Å; C105-V126 HydrophobicContact CB-CG1 4.35Å; C105-V126 HydrophobicContact CB-CG2 3.75Å; I106-V126 HydrophobicContact CG1-CG2 4.29Å; L110-V126 HydrophobicContact CB-CG1 4.28Å; D124-V126 PolarHBondContact O-N 3.46Å; V126-N128 PolarHBondContact O-N 3.33Å; V126-N128 VanDerWaalsContact O-N 3.08Å |
| 127 | R | 85.5 | Confident | 85 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 23% | 0.226 | 31% | 0.309 | C | S | . | . | trans | -71.8 | 106.1 | -174 | -174.9 | 176.5 | -61.5 | 165.8 | 3.2 | 110.9 | W123 D124 Y149 N150 | W123-R127 PolarHBondContact O-NH2 3.01Å; W123-R127 VanDerWaalsContact O-NH2 3.1Å; D124-R127 HydrophobicContact CB-CB 4.43Å; D124-R127 VanDerWaalsContact CB-NH2 3.29Å; D124-R127 WeakPolarHBondContact O-CB 3.43Å; D124-R127 PolarHBondContact O-N 2.91Å; D124-R127 VanDerWaalsContact O-N 3.09Å; R127-Y149 WeakPolarHBondContact O-CD1 3.48Å; R127-N150 PolarHBondContact O-OD1 3.05Å | ||
| 128 | N | 85 | Confident | 85.4 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -96.7 | -24 | 177.5 | -100.5 | -27.1 | 0 | 0 | 0 | 113.5 | P8 D11 E102 V126 N148 Y149 N150 | P8-N128 VanDerWaalsContact CA-ND2 3.26Å; P8-N128 WeakPolarHBondContact CA-ND2 3.42Å; P8-N128 HydrophobicContact CB-CB 4.28Å; P8-N128 WeakPolarHBondContact CB-ND2 3.22Å; D11-N128 PolarHBondContact OD2-ND2 2.87Å; E102-N128 WeakPolarHBondContact OE1-CA 3.44Å; E102-N128 PolarHBondContact OE1-N 2.95Å; V126-N128 PolarHBondContact O-N 3.33Å; V126-N128 VanDerWaalsContact O-N 3.08Å; N128-N148 CarbonylContact O-C 3.6Å; N128-N148 WeakPolarHBondContact O-CA 2.96Å; N128-N148 PolarHBondContact O-N 3.41Å; N128-Y149 PolarHBondContact O-N 3.3Å; N128-N150 WeakPolarHBondContact OD1-CB 3.25Å; N128-N150 PolarHBondContact OD1-N 3.34Å; N128-N150 PolarHBondContact OD1-ND2 3.1Å | ||
| 129 | F | 87.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -127.5 | 118.7 | -179.4 | -163.6 | -105.9 | 0 | 0 | 0 | 112.6 | Q95 W98 E102 L131 F134 F147 | Q95-F129 HydrophobicContact CB-CE1 4.31Å; Q95-F129 HydrophobicContact CG-CD1 4.36Å; Q95-F129 HydrophobicContact CG-CE1 3.59Å; Q95-F129 HydrophobicContact CG-CE2 4.36Å; Q95-F129 HydrophobicContact CG-CZ 3.6Å; W98-F129 HydrophobicContact CB-CB 4Å; W98-F129 HydrophobicContact CD2-CB 4.41Å; W98-F129 HydrophobicContact CD2-CD2 4.42Å; W98-F129 HydrophobicContact CE3-CB 4Å; W98-F129 AromaticContact CE3-CD2 3.37Å; W98-F129 HydrophobicContact CE3-CD2 3.37Å; W98-F129 HydrophobicContact CE3-CE2 4.02Å; W98-F129 AromaticContact CE3-CG 3.8Å; W98-F129 HydrophobicContact CE3-CG 3.8Å; W98-F129 HydrophobicContact CG-CB 4.49Å; W98-F129 HydrophobicContact CH2-CD2 4.4Å; W98-F129 AromaticContact CZ3-CD2 3.38Å; W98-F129 HydrophobicContact CZ3-CD2 3.38Å; W98-F129 AromaticContact CZ3-CE2 3.68Å; W98-F129 HydrophobicContact CZ3-CE2 3.68Å; W98-F129 HydrophobicContact CZ3-CG 4.27Å; E102-F129 PolarHBondContact OE1-N 2.95Å; F129-L131 HydrophobicContact CD1-CB 4.14Å; F129-L131 HydrophobicContact CD1-CD1 4.45Å; F129-L131 HydrophobicContact CE1-CB 4.12Å; F129-L131 HydrophobicContact CE1-CD1 3.77Å; F129-L131 PolarHBondContact O-N 2.94Å; F129-F134 HydrophobicContact CE1-CB 4.16Å; F129-F134 HydrophobicContact CE1-CG 4.36Å; F129-F134 HydrophobicContact CE2-CB 4.09Å; F129-F134 HydrophobicContact CE2-CD1 4.41Å; F129-F134 AromaticContact CE2-CD2 3.67Å; F129-F134 HydrophobicContact CE2-CD2 3.67Å; F129-F134 HydrophobicContact CE2-CE2 4.21Å; F129-F134 AromaticContact CE2-CG 3.8Å; F129-F134 HydrophobicContact CE2-CG 3.8Å; F129-F134 HydrophobicContact CZ-CB 3.53Å; F129-F134 AromaticContact CZ-CD1 3.66Å; F129-F134 HydrophobicContact CZ-CD1 3.66Å; F129-F134 AromaticContact CZ-CD2 3.74Å; F129-F134 HydrophobicContact CZ-CD2 3.74Å; F129-F134 HydrophobicContact CZ-CE1 4.3Å; F129-F134 HydrophobicContact CZ-CE2 4.37Å; F129-F134 AromaticContact CZ-CG 3.35Å; F129-F134 HydrophobicContact CZ-CG 3.35Å; F129-F147 HydrophobicContact CD2-CB 4.17Å; F129-F147 HydrophobicContact CE2-CB 3.95Å | ||
| 130 | R | 89 | Confident | 86.4 | Confident | 78 Ų | 78 | 55.9 Ų | 55.9 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | trans | -95.2 | 80.3 | 176 | -64.2 | -176.8 | 179.1 | -150.3 | -2 | 109.8 | S132 K133 F134 S146 Y149 | R130-S132 PolarHBondContact O-N 3.47Å; R130-K133 HydrophobicContact CB-CB 4.02Å; R130-K133 PolarHBondContact O-N 3.17Å; R130-F134 PolarHBondContact O-N 3.23Å; R130-S146 PolarHBondContact N-O 2.91Å; R130-Y149 VanDerWaalsContact NH2-CE2 3.28Å; R130-Y149 PolarHBondContact NH2-OH 2.86Å | ||
| 131 | L | 88.4 | Confident | 86.9 | Confident | 45 Ų | 45 | 52.1 Ų | 52.1 | 24% | 0.236 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -47.8 | -52.8 | -173 | 178.5 | 61 | 0 | 0 | 0 | 114.2 | P46 F50 L99 F129 K133 F134 E135 | P46-L131 HydrophobicContact CB-CD2 4.29Å; F50-L131 HydrophobicContact CE2-CD1 3.54Å; F50-L131 HydrophobicContact CE2-CD2 3.77Å; F50-L131 HydrophobicContact CE2-CG 4.31Å; F50-L131 HydrophobicContact CZ-CD1 3.57Å; F50-L131 HydrophobicContact CZ-CD2 4.27Å; L99-L131 HydrophobicContact CD1-CD2 4.39Å; F129-L131 HydrophobicContact CD1-CB 4.14Å; F129-L131 HydrophobicContact CD1-CD1 4.45Å; F129-L131 HydrophobicContact CE1-CB 4.12Å; F129-L131 HydrophobicContact CE1-CD1 3.77Å; F129-L131 PolarHBondContact O-N 2.94Å; L131-K133 VanDerWaalsContact C-N 3.33Å; L131-K133 PolarHBondContact O-N 3.25Å; L131-F134 PolarHBondContact O-N 3.48Å; L131-E135 HydrophobicContact CD1-CG 3.94Å; L131-E135 WeakPolarHBondContact O-CG 3.36Å; L131-E135 PolarHBondContact O-N 3.17Å |
| 132 | S | 87.8 | Confident | 87.4 | Confident | 86 Ų | 86 | 48.6 Ų | 48.6 | 60% | 0.601 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -63 | -39.1 | -178.9 | 55.2 | 0 | 0 | 0 | 0 | 112.7 | R130 L136 | R130-S132 PolarHBondContact O-N 3.47Å; S132-L136 VanDerWaalsContact O-CB 3.24Å; S132-L136 WeakPolarHBondContact O-CB 3.28Å; S132-L136 WeakPolarHBondContact O-CG 3.32Å; S132-L136 PolarHBondContact O-N 2.86Å; S132-L136 VanDerWaalsContact O-N 3.11Å |
| 133 | K | 90.1 | Very high | 87.8 | Confident | 66 Ų | 66 | 49.2 Ų | 49.2 | 29% | 0.287 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.2 | -38.1 | 177.1 | -170 | 176.3 | 176.3 | -178.9 | 0 | 110.8 | R130 L131 S137 E145 | R130-K133 HydrophobicContact CB-CB 4.02Å; R130-K133 PolarHBondContact O-N 3.17Å; L131-K133 VanDerWaalsContact C-N 3.33Å; L131-K133 PolarHBondContact O-N 3.25Å; K133-S137 WeakPolarHBondContact O-CA 3.44Å; K133-S137 WeakPolarHBondContact O-CB 3.47Å; K133-S137 PolarHBondContact O-N 2.99Å; K133-E145 IonicContact NZ-OE2 2.92Å; K133-E145 PolarHBondContact NZ-OE2 3.23Å |
| 134 | F | 90.5 | Very high | 88.2 | Confident | 25 Ų | 25 | 48.6 Ų | 48.6 | 11% | 0.11 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.8 | -48.8 | 179.2 | -174.5 | -90.2 | 0 | 0 | 0 | 111.9 | I91 F129 R130 L131 I143 S146 F147 | I91-F134 HydrophobicContact CD1-CZ 4.28Å; I91-F134 HydrophobicContact CG1-CE1 4.11Å; I91-F134 HydrophobicContact CG1-CZ 3.79Å; F129-F134 HydrophobicContact CE1-CB 4.16Å; F129-F134 HydrophobicContact CE1-CG 4.36Å; F129-F134 HydrophobicContact CE2-CB 4.09Å; F129-F134 HydrophobicContact CE2-CD1 4.41Å; F129-F134 AromaticContact CE2-CD2 3.67Å; F129-F134 HydrophobicContact CE2-CD2 3.67Å; F129-F134 HydrophobicContact CE2-CE2 4.21Å; F129-F134 AromaticContact CE2-CG 3.8Å; F129-F134 HydrophobicContact CE2-CG 3.8Å; F129-F134 HydrophobicContact CZ-CB 3.53Å; F129-F134 AromaticContact CZ-CD1 3.66Å; F129-F134 HydrophobicContact CZ-CD1 3.66Å; F129-F134 AromaticContact CZ-CD2 3.74Å; F129-F134 HydrophobicContact CZ-CD2 3.74Å; F129-F134 HydrophobicContact CZ-CE1 4.3Å; F129-F134 HydrophobicContact CZ-CE2 4.37Å; F129-F134 AromaticContact CZ-CG 3.35Å; F129-F134 HydrophobicContact CZ-CG 3.35Å; R130-F134 PolarHBondContact O-N 3.23Å; L131-F134 PolarHBondContact O-N 3.48Å; F134-I143 HydrophobicContact CD2-CG2 4.01Å; F134-I143 HydrophobicContact CE2-CG2 3.67Å; F134-I143 HydrophobicContact CZ-CG2 4.41Å; F134-S146 WeakPolarHBondContact CA-OG 3.37Å; F134-S146 VanDerWaalsContact CB-OG 3.26Å; F134-S146 WeakPolarHBondContact CB-OG 3.29Å; F134-S146 VanDerWaalsContact CD2-OG 3.29Å; F134-S146 WeakPolarHBondContact CD2-OG 3.26Å; F134-S146 PolarHBondContact N-OG 3.07Å; F134-F147 HydrophobicContact CD2-CB 4.22Å; F134-F147 HydrophobicContact CE2-CB 4.26Å; F134-F147 HydrophobicContact CE2-CD1 4.36Å |
| 135 | E | 88.8 | Confident | 88.5 | Confident | 77 Ų | 77 | 50.4 Ų | 50.4 | 36% | 0.36 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -76 | -28.2 | -175 | -63.6 | -72.1 | 165.5 | 0 | 0 | 113 | R88 Q95 L131 | R88-E135 IonicContact CZ-OE1 3.94Å; R88-E135 IonicContact CZ-OE2 3.36Å; R88-E135 IonicContact NH1-OE1 2.75Å; R88-E135 PolarHBondContact NH1-OE1 2.93Å; R88-E135 IonicContact NH2-OE1 3.59Å; R88-E135 PolarHBondContact NH2-OE1 3.19Å; R88-E135 IonicContact NH2-OE2 2.86Å; R88-E135 PolarHBondContact NH2-OE2 3.42Å; Q95-E135 PolarHBondContact NE2-OE1 3.16Å; L131-E135 HydrophobicContact CD1-CG 3.94Å; L131-E135 WeakPolarHBondContact O-CG 3.36Å; L131-E135 PolarHBondContact O-N 3.17Å |
| 136 | L | 91 | Very high | 88.9 | Confident | 147 Ų | 147 | 50.1 Ų | 50.1 | 77% | 0.77 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -103.4 | -2 | -177 | -57.5 | 174.1 | 0 | 0 | 0 | 113.8 | S132 A138 | S132-L136 VanDerWaalsContact O-CB 3.24Å; S132-L136 WeakPolarHBondContact O-CB 3.28Å; S132-L136 WeakPolarHBondContact O-CG 3.32Å; S132-L136 PolarHBondContact O-N 2.86Å; S132-L136 VanDerWaalsContact O-N 3.11Å; L136-A138 PolarHBondContact O-N 3.27Å |
| 137 | S | 89.1 | Confident | 89 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | trans | -74.5 | 120.3 | -178.9 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | K133 T139 G142 I143 | K133-S137 WeakPolarHBondContact O-CA 3.44Å; K133-S137 WeakPolarHBondContact O-CB 3.47Å; K133-S137 PolarHBondContact O-N 2.99Å; S137-T139 VanDerWaalsContact C-N 3.28Å; S137-T139 PolarHBondContact OG-N 3.16Å; S137-T139 PolarHBondContact OG-O 2.96Å; S137-T139 PolarHBondContact OG-OG1 2.94Å; S137-G142 VanDerWaalsContact OG-CA 3.25Å; S137-G142 WeakPolarHBondContact OG-CA 3.32Å; S137-I143 PolarHBondContact OG-N 3.26Å | ||
| 138 | A | 87.4 | Confident | 89 | Confident | 108 Ų | 108 | 50.4 Ų | 50.4 | 89% | 0.893 | 27% | 0.272 | S | S | * | . | trans | -87 | 4.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L136 | L136-A138 PolarHBondContact O-N 3.27Š| ||
| 139 | T | 90.1 | Very high | 89.1 | Confident | 62 Ų | 62 | 53.2 Ų | 53.2 | 38% | 0.38 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -118.1 | 138.6 | -177.4 | 52.8 | 0 | 0 | 0 | 0 | 110.4 | S137 Q141 G142 I143 E204 | S137-T139 VanDerWaalsContact C-N 3.28Å; S137-T139 PolarHBondContact OG-N 3.16Å; S137-T139 PolarHBondContact OG-O 2.96Å; S137-T139 PolarHBondContact OG-OG1 2.94Å; T139-Q141 VanDerWaalsContact C-N 3.29Å; T139-Q141 PolarHBondContact O-N 3.32Å; T139-G142 PolarHBondContact O-N 3.14Å; T139-G142 WeakPolarHBondContact OG1-CA 3.34Å; T139-G142 PolarHBondContact OG1-N 2.64Å; T139-I143 WeakPolarHBondContact O-CG1 3.23Å; T139-I143 PolarHBondContact O-N 2.66Å; T139-E204 WeakPolarHBondContact CB-OE1 3.39Å; T139-E204 WeakPolarHBondContact CG2-OE1 3.34Å |
| 140 | F | 89.6 | Confident | 88.9 | Confident | 78 Ų | 78 | 54.1 Ų | 54.1 | 34% | 0.342 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 178.9 | -171.2 | -102.7 | 0 | 0 | 0 | 110.5 | G142 I143 I144 E197 C200 V201 E204 | F140-G142 VanDerWaalsContact C-N 3.28Å; F140-G142 PolarHBondContact O-N 3.25Å; F140-I143 PolarHBondContact O-N 3.33Å; F140-I144 HydrophobicContact CD1-CD1 3.59Å; F140-I144 HydrophobicContact CD1-CG1 4.39Å; F140-I144 HydrophobicContact CE1-CD1 3.5Å; F140-I144 HydrophobicContact CE1-CG1 4.22Å; F140-I144 HydrophobicContact CZ-CD1 4.38Å; F140-I144 WeakPolarHBondContact O-CG1 3.24Å; F140-I144 PolarHBondContact O-N 3.49Å; F140-E197 HydrophobicContact CE1-CB 4.37Å; F140-E197 HydrophobicContact CE1-CG 3.87Å; F140-E197 HydrophobicContact CZ-CG 4.36Å; F140-C200 HydrophobicContact CD1-CB 3.41Å; F140-C200 VanDerWaalsContact CD1-CB 3.41Å; F140-C200 HydrophobicContact CD2-CB 4.31Å; F140-C200 HydrophobicContact CE1-CB 3.36Å; F140-C200 HydrophobicContact CE2-CB 4.29Å; F140-C200 HydrophobicContact CG-CB 3.9Å; F140-C200 HydrophobicContact CZ-CB 3.84Å; F140-V201 HydrophobicContact CD1-CG2 3.93Å; F140-V201 HydrophobicContact CE1-CG2 4.17Å; F140-E204 WeakPolarHBondContact CA-OE2 3.33Å; F140-E204 VanDerWaalsContact CB-OE2 3.27Å; F140-E204 WeakPolarHBondContact CB-OE2 3.27Å; F140-E204 PolarHBondContact N-OE2 2.94Å |
| 141 | Q | 90.2 | Very high | 88.9 | Confident | 45 Ų | 45 | 50.8 Ų | 50.8 | 21% | 0.21 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.8 | -38.3 | 171.7 | -176 | 66.6 | 49.7 | 0 | 0 | 112.5 | T139 I144 E145 E204 | T139-Q141 VanDerWaalsContact C-N 3.29Å; T139-Q141 PolarHBondContact O-N 3.32Å; Q141-I144 PolarHBondContact O-N 3.21Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.41Å; Q141-E145 PolarHBondContact NE2-OE1 3.15Å; Q141-E145 WeakPolarHBondContact O-CB 3.42Å; Q141-E145 VanDerWaalsContact O-CG 3.24Å; Q141-E145 WeakPolarHBondContact O-CG 3.37Å; Q141-E145 PolarHBondContact O-N 3.4Å; Q141-E204 PolarHBondContact N-OE2 2.95Å |
| 142 | G | 90.8 | Very high | 88.9 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.7 | -34.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | S137 T139 F140 S146 | S137-G142 VanDerWaalsContact OG-CA 3.25Å; S137-G142 WeakPolarHBondContact OG-CA 3.32Å; T139-G142 PolarHBondContact O-N 3.14Å; T139-G142 WeakPolarHBondContact OG1-CA 3.34Å; T139-G142 PolarHBondContact OG1-N 2.64Å; F140-G142 VanDerWaalsContact C-N 3.28Å; F140-G142 PolarHBondContact O-N 3.25Å; G142-S146 WeakPolarHBondContact O-CB 3.45Å; G142-S146 PolarHBondContact O-N 3.29Å; G142-S146 PolarHBondContact O-OG 2.99Å |
| 143 | I | 91.2 | Very high | 88.9 | Confident | 56 Ų | 56 | 49.3 Ų | 49.3 | 29% | 0.287 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.5 | -51.3 | 169.5 | -63.9 | 172.5 | 0 | 0 | 0 | 109.7 | F134 S137 T139 F140 E145 S146 F147 | F134-I143 HydrophobicContact CD2-CG2 4.01Å; F134-I143 HydrophobicContact CE2-CG2 3.67Å; F134-I143 HydrophobicContact CZ-CG2 4.41Å; S137-I143 PolarHBondContact OG-N 3.26Å; T139-I143 WeakPolarHBondContact O-CG1 3.23Å; T139-I143 PolarHBondContact O-N 2.66Å; F140-I143 PolarHBondContact O-N 3.33Å; I143-E145 VanDerWaalsContact C-N 3.32Å; I143-E145 PolarHBondContact O-N 3.26Å; I143-S146 PolarHBondContact O-N 3.43Å; I143-S146 PolarHBondContact O-OG 2.89Å; I143-F147 HydrophobicContact CG2-CD1 4.27Å; I143-F147 VanDerWaalsContact O-CD1 3.23Å; I143-F147 WeakPolarHBondContact O-CD1 3.17Å; I143-F147 PolarHBondContact O-N 3.03Å |
| 144 | I | 90.7 | Very high | 88.9 | Confident | 9 Ų | 9 | 51 Ų | 51 | 5% | 0.046 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.2 | -47.1 | 178.1 | -63.1 | 159.6 | 0 | 0 | 0 | 111.8 | F140 Q141 S146 F147 N152 E197 V201 | F140-I144 HydrophobicContact CD1-CD1 3.59Å; F140-I144 HydrophobicContact CD1-CG1 4.39Å; F140-I144 HydrophobicContact CE1-CD1 3.5Å; F140-I144 HydrophobicContact CE1-CG1 4.22Å; F140-I144 HydrophobicContact CZ-CD1 4.38Å; F140-I144 WeakPolarHBondContact O-CG1 3.24Å; F140-I144 PolarHBondContact O-N 3.49Å; Q141-I144 PolarHBondContact O-N 3.21Å; I144-S146 PolarHBondContact O-N 3Å; I144-S146 VanDerWaalsContact O-N 3.14Å; I144-F147 HydrophobicContact CB-CE1 4.14Å; I144-F147 HydrophobicContact CB-CZ 4.48Å; I144-F147 HydrophobicContact CG1-CE1 4.04Å; I144-F147 HydrophobicContact CG1-CZ 4.4Å; I144-F147 HydrophobicContact CG2-CE1 4.41Å; I144-F147 HydrophobicContact CG2-CZ 4.27Å; I144-F147 VanDerWaalsContact O-O 3.08Å; I144-N152 PolarHBondContact O-ND2 3.38Å; I144-E197 HydrophobicContact CD1-CG 3.48Å; I144-E197 VanDerWaalsContact CD1-CG 3.48Å; I144-E197 HydrophobicContact CG1-CG 4.17Å; I144-V201 HydrophobicContact CD1-CG2 3.45Å; I144-V201 VanDerWaalsContact CD1-CG2 3.45Å |
| 145 | E | 89.7 | Confident | 88.9 | Confident | 78 Ų | 78 | 49.9 Ų | 49.9 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -12 | -179.6 | -73.1 | 172 | -173.4 | 0 | 0 | 114.5 | K133 Q141 I143 | K133-E145 IonicContact NZ-OE2 2.92Å; K133-E145 PolarHBondContact NZ-OE2 3.23Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.41Å; Q141-E145 PolarHBondContact NE2-OE1 3.15Å; Q141-E145 WeakPolarHBondContact O-CB 3.42Å; Q141-E145 VanDerWaalsContact O-CG 3.24Å; Q141-E145 WeakPolarHBondContact O-CG 3.37Å; Q141-E145 PolarHBondContact O-N 3.4Å; I143-E145 VanDerWaalsContact C-N 3.32Å; I143-E145 PolarHBondContact O-N 3.26Å |
| 146 | S | 90 | Very high | 89 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -28.3 | -176.9 | 68.6 | 0 | 0 | 0 | 0 | 113.4 | R130 F134 G142 I143 I144 | R130-S146 PolarHBondContact N-O 2.91Å; F134-S146 WeakPolarHBondContact CA-OG 3.37Å; F134-S146 VanDerWaalsContact CB-OG 3.26Å; F134-S146 WeakPolarHBondContact CB-OG 3.29Å; F134-S146 VanDerWaalsContact CD2-OG 3.29Å; F134-S146 WeakPolarHBondContact CD2-OG 3.26Å; F134-S146 PolarHBondContact N-OG 3.07Å; G142-S146 WeakPolarHBondContact O-CB 3.45Å; G142-S146 PolarHBondContact O-N 3.29Å; G142-S146 PolarHBondContact O-OG 2.99Å; I143-S146 PolarHBondContact O-N 3.43Å; I143-S146 PolarHBondContact O-OG 2.89Å; I144-S146 PolarHBondContact O-N 3Å; I144-S146 VanDerWaalsContact O-N 3.14Å |
| 147 | F | 86.5 | Confident | 89 | Confident | 55 Ų | 55 | 45.3 Ų | 45.3 | 24% | 0.241 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -92.7 | 147.4 | 173.2 | 77.9 | -107 | 0 | 0 | 0 | 110.8 | W98 F129 F134 I143 I144 Y149 N152 | W98-F147 HydrophobicContact CH2-CB 4.15Å; W98-F147 HydrophobicContact CZ3-CB 4.32Å; F129-F147 HydrophobicContact CD2-CB 4.17Å; F129-F147 HydrophobicContact CE2-CB 3.95Å; F134-F147 HydrophobicContact CD2-CB 4.22Å; F134-F147 HydrophobicContact CE2-CB 4.26Å; F134-F147 HydrophobicContact CE2-CD1 4.36Å; I143-F147 HydrophobicContact CG2-CD1 4.27Å; I143-F147 VanDerWaalsContact O-CD1 3.23Å; I143-F147 WeakPolarHBondContact O-CD1 3.17Å; I143-F147 PolarHBondContact O-N 3.03Å; I144-F147 HydrophobicContact CB-CE1 4.14Å; I144-F147 HydrophobicContact CB-CZ 4.48Å; I144-F147 HydrophobicContact CG1-CE1 4.04Å; I144-F147 HydrophobicContact CG1-CZ 4.4Å; I144-F147 HydrophobicContact CG2-CE1 4.41Å; I144-F147 HydrophobicContact CG2-CZ 4.27Å; I144-F147 VanDerWaalsContact O-O 3.08Å; F147-Y149 PolarHBondContact O-N 2.92Å; F147-Y149 VanDerWaalsContact O-N 3.11Å; F147-N152 PolarHBondContact O-ND2 3.14Å |
| 148 | N | 85 | Confident | 89 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 6% | 0.064 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 44.1 | 48 | 177.4 | -155.9 | -2.8 | 0 | 0 | 0 | 113.8 | W98 N128 N150 T151 N152 | W98-N148 HydrophobicContact CZ2-CB 4.19Å; N128-N148 CarbonylContact O-C 3.6Å; N128-N148 WeakPolarHBondContact O-CA 2.96Å; N128-N148 PolarHBondContact O-N 3.41Å; N148-N150 VanDerWaalsContact C-N 3.32Å; N148-N150 PolarHBondContact O-N 3.11Å; N148-T151 VanDerWaalsContact CG-OG1 3.23Å; N148-T151 WeakPolarHBondContact ND2-CB 3.5Å; N148-T151 PolarHBondContact ND2-OG1 3.34Å; N148-T151 PolarHBondContact O-N 3.05Å; N148-T151 WeakPolarHBondContact OD1-CB 3.29Å; N148-T151 PolarHBondContact OD1-OG1 3.47Å; N148-N152 PolarHBondContact O-N 3.4Å; N148-N152 PolarHBondContact O-ND2 3.24Å |
| 149 | Y | 86.9 | Confident | 89.2 | Confident | 59 Ų | 59 | 45.6 Ų | 45.6 | 23% | 0.231 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56 | -43.6 | -169.2 | 174.5 | -103 | 0 | 0 | 0 | 112.4 | R127 N128 R130 F147 N152 Q153 | R127-Y149 WeakPolarHBondContact O-CD1 3.48Å; N128-Y149 PolarHBondContact O-N 3.3Å; R130-Y149 VanDerWaalsContact NH2-CE2 3.28Å; R130-Y149 PolarHBondContact NH2-OH 2.86Å; F147-Y149 PolarHBondContact O-N 2.92Å; F147-Y149 VanDerWaalsContact O-N 3.11Å; Y149-N152 PolarHBondContact O-N 3.12Å; Y149-Q153 HydrophobicContact CD1-CG 4.44Å; Y149-Q153 HydrophobicContact CD2-CG 4.46Å; Y149-Q153 HydrophobicContact CE1-CG 3.98Å; Y149-Q153 HydrophobicContact CE2-CG 3.97Å; Y149-Q153 WeakPolarHBondContact O-CG 3.34Å; Y149-Q153 PolarHBondContact O-N 3.24Å |
| 150 | N | 85.1 | Confident | 89.4 | Confident | 20 Ų | 20 | 45.2 Ų | 45.2 | 11% | 0.107 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.4 | -41.7 | -178.7 | -62.7 | -29.9 | 0 | 0 | 0 | 112 | D11 R127 N128 N148 N152 Q153 W154 | D11-N150 HydrophobicContact CB-CB 3.52Å; R127-N150 PolarHBondContact O-OD1 3.05Å; N128-N150 WeakPolarHBondContact OD1-CB 3.25Å; N128-N150 PolarHBondContact OD1-N 3.34Å; N128-N150 PolarHBondContact OD1-ND2 3.1Å; N148-N150 VanDerWaalsContact C-N 3.32Å; N148-N150 PolarHBondContact O-N 3.11Å; N150-N152 VanDerWaalsContact C-N 3.27Å; N150-N152 PolarHBondContact O-N 3.02Å; N150-Q153 PolarHBondContact O-N 3.42Å; N150-Q153 VanDerWaalsContact O-N 3.16Å; N150-W154 WeakPolarHBondContact O-CB 3.24Å; N150-W154 PolarHBondContact O-N 3.22Å |
| 151 | T | 87.5 | Confident | 89.6 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.043 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.5 | -41.2 | 173.6 | -61.3 | 0 | 0 | 0 | 0 | 110.9 | N148 Q153 W154 A155 L180 | N148-T151 VanDerWaalsContact CG-OG1 3.23Å; N148-T151 WeakPolarHBondContact ND2-CB 3.5Å; N148-T151 PolarHBondContact ND2-OG1 3.34Å; N148-T151 PolarHBondContact O-N 3.05Å; N148-T151 WeakPolarHBondContact OD1-CB 3.29Å; N148-T151 PolarHBondContact OD1-OG1 3.47Å; T151-Q153 PolarHBondContact O-N 3.26Å; T151-W154 PolarHBondContact O-N 3.16Å; T151-A155 WeakPolarHBondContact O-CB 3.38Å; T151-A155 PolarHBondContact O-N 3Å; T151-L180 HydrophobicContact CG2-CD2 4.12Å |
| 152 | N | 89.5 | Confident | 89.7 | Confident | 33 Ų | 33 | 53.1 Ų | 53.1 | 18% | 0.176 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.5 | -41.4 | 176.3 | -81.2 | -35.3 | 0 | 0 | 0 | 112.3 | I144 F147 N148 Y149 N150 L156 | I144-N152 PolarHBondContact O-ND2 3.38Å; F147-N152 PolarHBondContact O-ND2 3.14Å; N148-N152 PolarHBondContact O-N 3.4Å; N148-N152 PolarHBondContact O-ND2 3.24Å; Y149-N152 PolarHBondContact O-N 3.12Å; N150-N152 VanDerWaalsContact C-N 3.27Å; N150-N152 PolarHBondContact O-N 3.02Å; N152-L156 VanDerWaalsContact O-CB 3.27Å; N152-L156 WeakPolarHBondContact O-CB 3.39Å; N152-L156 PolarHBondContact O-N 3.11Å |
| 153 | Q | 87.3 | Confident | 89.8 | Confident | 68 Ų | 68 | 54.7 Ų | 54.7 | 32% | 0.318 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.2 | -39.7 | 173.2 | -68.8 | -54.1 | -49.3 | 0 | 0 | 112.2 | Y149 N150 T151 L156 N157 | Y149-Q153 HydrophobicContact CD1-CG 4.44Å; Y149-Q153 HydrophobicContact CD2-CG 4.46Å; Y149-Q153 HydrophobicContact CE1-CG 3.98Å; Y149-Q153 HydrophobicContact CE2-CG 3.97Å; Y149-Q153 WeakPolarHBondContact O-CG 3.34Å; Y149-Q153 PolarHBondContact O-N 3.24Å; N150-Q153 PolarHBondContact O-N 3.42Å; N150-Q153 VanDerWaalsContact O-N 3.16Å; T151-Q153 PolarHBondContact O-N 3.26Å; Q153-L156 PolarHBondContact O-N 3.29Å; Q153-N157 WeakPolarHBondContact O-CB 3.46Å; Q153-N157 VanDerWaalsContact O-CG 3.31Å; Q153-N157 PolarHBondContact O-N 3.02Å; Q153-N157 PolarHBondContact O-ND2 3.1Å |
| 154 | W | 89.5 | Confident | 89.7 | Confident | 101 Ų | 101 | 62.2 Ų | 62.2 | 38% | 0.383 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.5 | -50.7 | 176.5 | 178.3 | 96 | 0 | 0 | 0 | 110.3 | N150 T151 L156 N157 Y158 F179 | N150-W154 WeakPolarHBondContact O-CB 3.24Å; N150-W154 PolarHBondContact O-N 3.22Å; T151-W154 PolarHBondContact O-N 3.16Å; W154-L156 VanDerWaalsContact C-N 3.29Å; W154-L156 PolarHBondContact O-N 2.99Å; W154-N157 PolarHBondContact O-N 3.34Å; W154-N157 VanDerWaalsContact O-N 3.13Å; W154-Y158 HydrophobicContact CB-CD2 4.45Å; W154-Y158 AromaticContact CD1-CD2 3.42Å; W154-Y158 VanDerWaalsContact CD1-CD2 3.42Å; W154-Y158 AromaticContact CD1-CE2 3.77Å; W154-Y158 HydrophobicContact CD2-CD2 4.32Å; W154-Y158 AromaticContact CG-CD2 3.84Å; W154-Y158 HydrophobicContact CG-CD2 3.84Å; W154-Y158 HydrophobicContact CG-CE2 4.48Å; W154-Y158 AromaticContact NE1-CD2 3.64Å; W154-Y158 WeakPolarHBondContact O-CB 3.43Å; W154-Y158 WeakPolarHBondContact O-CD2 3.29Å; W154-Y158 PolarHBondContact O-N 3.06Å; W154-F179 AromaticContact CH2-CE1 3.69Å; W154-F179 HydrophobicContact CH2-CE1 3.69Å; W154-F179 AromaticContact CH2-CZ 3.73Å; W154-F179 HydrophobicContact CH2-CZ 3.73Å; W154-F179 HydrophobicContact CZ3-CD1 4.33Å; W154-F179 AromaticContact CZ3-CE1 3.47Å; W154-F179 HydrophobicContact CZ3-CE1 3.47Å; W154-F179 VanDerWaalsContact CZ3-CE1 3.47Å; W154-F179 HydrophobicContact CZ3-CZ 4.02Å |
| 155 | A | 91.4 | Very high | 89.8 | Confident | 2 Ų | 2 | 69.4 Ų | 69.4 | 2% | 0.017 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -61.8 | -38.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T151 C159 F160 T176 L180 | T151-A155 WeakPolarHBondContact O-CB 3.38Å; T151-A155 PolarHBondContact O-N 3Å; A155-C159 CarbonylContact O-C 3.56Å; A155-C159 WeakPolarHBondContact O-CA 3.33Å; A155-C159 VanDerWaalsContact O-CB 3.22Å; A155-C159 WeakPolarHBondContact O-CB 3.4Å; A155-C159 PolarHBondContact O-N 3.02Å; A155-F160 PolarHBondContact O-N 3.33Å; A155-T176 HydrophobicContact CB-CG2 4.04Å; A155-L180 HydrophobicContact CB-CD1 4.25Å; A155-L180 HydrophobicContact CB-CD2 4.14Å; A155-L180 HydrophobicContact CB-CG 4.43Å |
| 156 | L | 91.1 | Very high | 89.8 | Confident | 64 Ų | 64 | 68.6 Ų | 68.6 | 34% | 0.335 | 30% | 0.299 | S | S | . | . | I | π-helix | trans | -61.3 | -47.2 | 174.1 | 179.1 | 64.9 | 0 | 0 | 0 | 112 | N152 Q153 W154 F160 K161 | N152-L156 VanDerWaalsContact O-CB 3.27Å; N152-L156 WeakPolarHBondContact O-CB 3.39Å; N152-L156 PolarHBondContact O-N 3.11Å; Q153-L156 PolarHBondContact O-N 3.29Å; W154-L156 VanDerWaalsContact C-N 3.29Å; W154-L156 PolarHBondContact O-N 2.99Å; L156-F160 HydrophobicContact CD1-CB 4.23Å; L156-F160 HydrophobicContact CD1-CD1 3.7Å; L156-F160 HydrophobicContact CD1-CE1 4.43Å; L156-F160 HydrophobicContact CD1-CG 4.18Å; L156-K161 WeakPolarHBondContact O-CB 3.35Å; L156-K161 VanDerWaalsContact O-CG 3.32Å; L156-K161 WeakPolarHBondContact O-CG 3.44Å; L156-K161 PolarHBondContact O-N 3.47Å |
| 157 | N | 90.1 | Very high | 89.8 | Confident | 63 Ų | 63 | 72.2 Ų | 72.2 | 34% | 0.337 | 34% | 0.337 | S | S | . | . | I | π-helix | trans | -80.8 | -38 | -173.7 | -69.5 | -42.2 | 0 | 0 | 0 | 113.4 | Q153 W154 K161 | Q153-N157 WeakPolarHBondContact O-CB 3.46Å; Q153-N157 VanDerWaalsContact O-CG 3.31Å; Q153-N157 PolarHBondContact O-N 3.02Å; Q153-N157 PolarHBondContact O-ND2 3.1Å; W154-N157 PolarHBondContact O-N 3.34Å; W154-N157 VanDerWaalsContact O-N 3.13Å; N157-K161 PolarHBondContact OD1-NZ 3.35Å |
| 158 | Y | 89.7 | Confident | 90.1 | Very high | 124 Ų | 124 | 72 Ų | 72 | 49% | 0.486 | 34% | 0.342 | S | S | . | . | I | π-helix | trans | -102.2 | -22.1 | -172.3 | -66.1 | -81.9 | 0 | 0 | 0 | 114 | W154 R162 | W154-Y158 HydrophobicContact CB-CD2 4.45Å; W154-Y158 AromaticContact CD1-CD2 3.42Å; W154-Y158 VanDerWaalsContact CD1-CD2 3.42Å; W154-Y158 AromaticContact CD1-CE2 3.77Å; W154-Y158 HydrophobicContact CD2-CD2 4.32Å; W154-Y158 AromaticContact CG-CD2 3.84Å; W154-Y158 HydrophobicContact CG-CD2 3.84Å; W154-Y158 HydrophobicContact CG-CE2 4.48Å; W154-Y158 AromaticContact NE1-CD2 3.64Å; W154-Y158 WeakPolarHBondContact O-CB 3.43Å; W154-Y158 WeakPolarHBondContact O-CD2 3.29Å; W154-Y158 PolarHBondContact O-N 3.06Å; Y158-R162 WeakPolarHBondContact O-CB 3.39Å; Y158-R162 WeakPolarHBondContact O-CD 3.42Å; Y158-R162 VanDerWaalsContact O-CG 3.28Å; Y158-R162 WeakPolarHBondContact O-CG 3.49Å |
| 159 | C | 91.6 | Very high | 90.5 | Very high | 18 Ų | 18 | 79.6 Ų | 79.6 | 12% | 0.122 | 37% | 0.374 | C | S | . | . | I | π-helix | trans | -105.7 | -67.8 | 172.9 | -54.8 | 0 | 0 | 0 | 0 | 109.9 | A155 K161 R162 L163 T176 | A155-C159 CarbonylContact O-C 3.56Å; A155-C159 WeakPolarHBondContact O-CA 3.33Å; A155-C159 VanDerWaalsContact O-CB 3.22Å; A155-C159 WeakPolarHBondContact O-CB 3.4Å; A155-C159 PolarHBondContact O-N 3.02Å; C159-K161 PolarHBondContact O-N 3.4Å; C159-R162 PolarHBondContact O-N 3.48Å; C159-R162 VanDerWaalsContact O-N 3.15Å; C159-L163 VanDerWaalsContact O-CG 3.27Å; C159-L163 WeakPolarHBondContact O-CG 3.44Å; C159-L163 PolarHBondContact O-N 2.84Å; C159-T176 HydrophobicContact CB-CG2 3.91Å |
| 160 | F | 93.5 | Very high | 90.7 | Very high | 55 Ų | 55 | 80.9 Ų | 80.9 | 24% | 0.241 | 39% | 0.385 | C | S | . | . | I | π-helix | trans | -59.4 | -52 | -169.6 | -178.8 | -94.1 | 0 | 0 | 0 | 113.3 | A155 L156 R162 L163 K169 H173 T176 | A155-F160 PolarHBondContact O-N 3.33Å; L156-F160 HydrophobicContact CD1-CB 4.23Å; L156-F160 HydrophobicContact CD1-CD1 3.7Å; L156-F160 HydrophobicContact CD1-CE1 4.43Å; L156-F160 HydrophobicContact CD1-CG 4.18Å; F160-R162 VanDerWaalsContact C-N 3.31Å; F160-R162 PolarHBondContact O-N 3.03Å; F160-L163 PolarHBondContact O-N 2.68Å; F160-K169 WeakPolarHBondContact CE2-O 3.49Å; F160-H173 HydrophobicContact CD2-CB 4.41Å; F160-H173 HydrophobicContact CE2-CB 3.93Å; F160-T176 VanDerWaalsContact CA-OG1 3.28Å; F160-T176 WeakPolarHBondContact CA-OG1 3.46Å; F160-T176 HydrophobicContact CB-CG2 4.34Å; F160-T176 WeakPolarHBondContact CB-OG1 3.43Å; F160-T176 PolarHBondContact N-OG1 2.95Å |
| 161 | K | 93.8 | Very high | 91.1 | Very high | 119 Ų | 119 | 83.6 Ų | 83.6 | 52% | 0.517 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -32.3 | 179.2 | -76 | -179.7 | -171.9 | 168 | 0 | 112.6 | L156 N157 C159 L163 R164 | L156-K161 WeakPolarHBondContact O-CB 3.35Å; L156-K161 VanDerWaalsContact O-CG 3.32Å; L156-K161 WeakPolarHBondContact O-CG 3.44Å; L156-K161 PolarHBondContact O-N 3.47Å; N157-K161 PolarHBondContact OD1-NZ 3.35Å; C159-K161 PolarHBondContact O-N 3.4Å; K161-L163 VanDerWaalsContact C-N 3.31Å; K161-R164 VanDerWaalsContact O-CB 3.23Å; K161-R164 WeakPolarHBondContact O-CB 3.34Å; K161-R164 PolarHBondContact O-N 3.15Å |
| 162 | R | 93.6 | Very high | 91.4 | Very high | 169 Ų | 169 | 83.5 Ų | 83.5 | 64% | 0.638 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -70.9 | -28.9 | 177.2 | -65.4 | -160.6 | -178.3 | -111.3 | -0.7 | 112.2 | Y158 C159 F160 R164 F165 | Y158-R162 WeakPolarHBondContact O-CB 3.39Å; Y158-R162 WeakPolarHBondContact O-CD 3.42Å; Y158-R162 VanDerWaalsContact O-CG 3.28Å; Y158-R162 WeakPolarHBondContact O-CG 3.49Å; C159-R162 PolarHBondContact O-N 3.48Å; C159-R162 VanDerWaalsContact O-N 3.15Å; F160-R162 VanDerWaalsContact C-N 3.31Å; F160-R162 PolarHBondContact O-N 3.03Å; R162-R164 PolarHBondContact O-N 3.4Å; R162-F165 VanDerWaalsContact O-CD1 3.23Å; R162-F165 WeakPolarHBondContact O-CD1 3.47Å |
| 163 | L | 92.7 | Very high | 91.6 | Very high | 36 Ų | 36 | 82.9 Ų | 82.9 | 19% | 0.188 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -77.4 | 11.1 | 174.1 | -66.7 | 171.1 | 0 | 0 | 0 | 114 | C159 F160 K161 F165 L166 S172 L175 | C159-L163 VanDerWaalsContact O-CG 3.27Å; C159-L163 WeakPolarHBondContact O-CG 3.44Å; C159-L163 PolarHBondContact O-N 2.84Å; F160-L163 PolarHBondContact O-N 2.68Å; K161-L163 VanDerWaalsContact C-N 3.31Å; L163-F165 HydrophobicContact CD2-CE1 3.95Å; L163-F165 HydrophobicContact CD2-CZ 4.13Å; L163-F165 PolarHBondContact O-N 3.03Å; L163-L166 HydrophobicContact CB-CD1 4.15Å; L163-L166 HydrophobicContact CD2-CD1 4.07Å; L163-L166 WeakPolarHBondContact O-CB 3.34Å; L163-L166 PolarHBondContact O-N 3.05Å; L163-S172 PolarHBondContact O-OG 3.14Å; L163-L175 HydrophobicContact CD1-CB 3.69Å; L163-L175 HydrophobicContact CD1-CD1 4.32Å; L163-L175 HydrophobicContact CD2-CD1 4.39Å |
| 164 | R | 88.8 | Confident | 92 | Very high | 214 Ų | 214 | 82.6 Ų | 82.6 | 81% | 0.808 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -60.8 | -26.3 | 178.3 | -178.5 | 177.9 | 176.8 | -174.7 | -1.7 | 113 | K161 R162 L166 G167 | K161-R164 VanDerWaalsContact O-CB 3.23Å; K161-R164 WeakPolarHBondContact O-CB 3.34Å; K161-R164 PolarHBondContact O-N 3.15Å; R162-R164 PolarHBondContact O-N 3.4Å; R164-L166 PolarHBondContact O-N 3.42Å; R164-L166 VanDerWaalsContact O-N 3.14Å; R164-G167 PolarHBondContact O-N 3.19Å; R164-G167 VanDerWaalsContact O-N 3.16Å |
| 165 | F | 91.7 | Very high | 92.3 | Very high | 160 Ų | 160 | 81.2 Ų | 81.2 | 70% | 0.702 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -60.5 | -21 | 178.7 | 69.5 | -94.3 | 0 | 0 | 0 | 113.4 | R162 L163 G167 | R162-F165 VanDerWaalsContact O-CD1 3.23Å; R162-F165 WeakPolarHBondContact O-CD1 3.47Å; L163-F165 HydrophobicContact CD2-CE1 3.95Å; L163-F165 HydrophobicContact CD2-CZ 4.13Å; L163-F165 PolarHBondContact O-N 3.03Å; F165-G167 PolarHBondContact O-N 3.23Å |
| 166 | L | 91.1 | Very high | 92.4 | Very high | 61 Ų | 61 | 81.5 Ų | 81.5 | 32% | 0.319 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -71.8 | -10.5 | 178.1 | -66.3 | 172.1 | 0 | 0 | 0 | 114 | L163 R164 S168 L171 L175 | L163-L166 HydrophobicContact CB-CD1 4.15Å; L163-L166 HydrophobicContact CD2-CD1 4.07Å; L163-L166 WeakPolarHBondContact O-CB 3.34Å; L163-L166 PolarHBondContact O-N 3.05Å; R164-L166 PolarHBondContact O-N 3.42Å; R164-L166 VanDerWaalsContact O-N 3.14Å; L166-S168 PolarHBondContact O-N 3.07Å; L166-L171 HydrophobicContact CB-CD2 4.15Å; L166-L171 HydrophobicContact CD1-CD2 3.95Å; L166-L171 HydrophobicContact CD1-CG 4.01Å; L166-L171 HydrophobicContact CD2-CD2 4.23Å; L166-L171 HydrophobicContact CG-CD2 4.36Å; L166-L175 HydrophobicContact CD1-CD1 3.37Å |
| 167 | G | 90.4 | Very high | 92.6 | Very high | 77 Ų | 77 | 78.9 Ų | 78.9 | 79% | 0.794 | 39% | 0.385 | S | S | * | . | S | Bend | trans | 71.9 | -11.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | R164 F165 | R164-G167 PolarHBondContact O-N 3.19Å; R164-G167 VanDerWaalsContact O-N 3.16Å; F165-G167 PolarHBondContact O-N 3.23Å |
| 168 | S | 92.3 | Very high | 92.8 | Very high | 50 Ų | 50 | 77.9 Ų | 77.9 | 35% | 0.35 | 39% | 0.386 | S | S | . | . | trans | -118.1 | 117.1 | 179.7 | 176.3 | 0 | 0 | 0 | 0 | 112.2 | L166 N170 L171 S172 | L166-S168 PolarHBondContact O-N 3.07Å; S168-N170 VanDerWaalsContact C-N 3.26Å; S168-N170 PolarHBondContact O-N 3.45Å; S168-L171 PolarHBondContact O-N 3.1Å; S168-L171 PolarHBondContact OG-N 3.48Å; S168-S172 PolarHBondContact O-N 3.1Å; S168-S172 PolarHBondContact O-OG 3.03Å; S168-S172 VanDerWaalsContact O-OG 3.11Å | ||
| 169 | K | 92 | Very high | 93 | Very high | 171 Ų | 171 | 75.8 Ų | 75.8 | 74% | 0.743 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.3 | -35.2 | 175.5 | -67.4 | -177.9 | -179.9 | 177.8 | 0 | 112.5 | F160 H173 | F160-K169 WeakPolarHBondContact CE2-O 3.49Å; K169-H173 WeakPolarHBondContact O-CB 3.46Å; K169-H173 PolarHBondContact O-N 3.03Å |
| 170 | N | 91.9 | Very high | 93.1 | Very high | 86 Ų | 86 | 75.3 Ų | 75.3 | 46% | 0.46 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.6 | -41.4 | 179.1 | -69.3 | -19.9 | 0 | 0 | 0 | 110.6 | S168 H173 V174 | S168-N170 VanDerWaalsContact C-N 3.26Å; S168-N170 PolarHBondContact O-N 3.45Å; N170-H173 WeakPolarHBondContact O-CB 3.3Å; N170-H173 PolarHBondContact O-N 3.17Å; N170-V174 WeakPolarHBondContact O-CG2 3.45Å; N170-V174 PolarHBondContact O-N 2.96Å |
| 171 | L | 92.9 | Very high | 93.1 | Very high | 77 Ų | 77 | 72.8 Ų | 72.8 | 40% | 0.403 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 177.3 | -173.3 | 60.7 | 0 | 0 | 0 | 111.2 | L166 S168 H173 V174 L175 | L166-L171 HydrophobicContact CB-CD2 4.15Å; L166-L171 HydrophobicContact CD1-CD2 3.95Å; L166-L171 HydrophobicContact CD1-CG 4.01Å; L166-L171 HydrophobicContact CD2-CD2 4.23Å; L166-L171 HydrophobicContact CG-CD2 4.36Å; S168-L171 PolarHBondContact O-N 3.1Å; S168-L171 PolarHBondContact OG-N 3.48Å; L171-H173 PolarHBondContact O-N 3.12Å; L171-V174 PolarHBondContact O-N 3.08Å; L171-L175 HydrophobicContact CD1-CD1 4.26Å; L171-L175 HydrophobicContact CD1-CG 4.27Å; L171-L175 HydrophobicContact CG-CD1 4.03Å; L171-L175 HydrophobicContact CG-CG 4.46Å; L171-L175 WeakPolarHBondContact O-CB 3.37Å; L171-L175 WeakPolarHBondContact O-CG 3.44Å; L171-L175 PolarHBondContact O-N 3.19Å |
| 172 | S | 94.5 | Very high | 93.2 | Very high | 5 Ų | 5 | 71.9 Ų | 71.9 | 4% | 0.035 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.3 | -37.2 | 173.4 | -49.8 | 0 | 0 | 0 | 0 | 112 | L163 S168 T176 | L163-S172 PolarHBondContact O-OG 3.14Å; S168-S172 PolarHBondContact O-N 3.1Å; S168-S172 PolarHBondContact O-OG 3.03Å; S168-S172 VanDerWaalsContact O-OG 3.11Å; S172-T176 WeakPolarHBondContact O-CB 3.29Å; S172-T176 PolarHBondContact O-N 3.38Å; S172-T176 PolarHBondContact O-OG1 3.36Å |
| 173 | H | 93.8 | Very high | 93.1 | Very high | 21 Ų | 21 | 67 Ų | 67 | 10% | 0.097 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.2 | -52.3 | 177.9 | -167.8 | -161.4 | 0 | 0 | 0 | 111.5 | F160 K169 N170 L171 L175 T176 L177 Y198 | F160-H173 HydrophobicContact CD2-CB 4.41Å; F160-H173 HydrophobicContact CE2-CB 3.93Å; K169-H173 WeakPolarHBondContact O-CB 3.46Å; K169-H173 PolarHBondContact O-N 3.03Å; N170-H173 WeakPolarHBondContact O-CB 3.3Å; N170-H173 PolarHBondContact O-N 3.17Å; L171-H173 PolarHBondContact O-N 3.12Å; H173-L175 VanDerWaalsContact C-N 3.33Å; H173-L175 PolarHBondContact O-N 3.01Å; H173-T176 PolarHBondContact O-N 3.27Å; H173-T176 VanDerWaalsContact O-N 3.15Å; H173-L177 WeakPolarHBondContact O-CG 3.2Å; H173-L177 PolarHBondContact O-N 3.18Å; H173-Y198 HydrophobicContact CB-CE2 4.24Å; H173-Y198 AromaticContact CE1-CD2 3.78Å; H173-Y198 AromaticContact ND1-CD2 3.43Å; H173-Y198 WeakPolarHBondContact ND1-CD2 3.43Å; H173-Y198 AromaticContact ND1-CE2 3.45Å; H173-Y198 WeakPolarHBondContact ND1-CE2 3.41Å |
| 174 | V | 95.1 | Very high | 92.9 | Very high | 62 Ų | 62 | 66.4 Ų | 66.4 | 38% | 0.376 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 179.1 | 172 | 0 | 0 | 0 | 0 | 111.1 | N170 L171 T176 L177 A178 Y198 | N170-V174 WeakPolarHBondContact O-CG2 3.45Å; N170-V174 PolarHBondContact O-N 2.96Å; L171-V174 PolarHBondContact O-N 3.08Å; V174-T176 VanDerWaalsContact C-N 3.35Å; V174-T176 PolarHBondContact O-N 3.05Å; V174-L177 PolarHBondContact O-N 3.06Å; V174-A178 WeakPolarHBondContact O-CB 3.43Å; V174-A178 PolarHBondContact O-N 2.93Å; V174-Y198 HydrophobicContact CG2-CD1 4.37Å; V174-Y198 HydrophobicContact CG2-CD2 3.96Å; V174-Y198 HydrophobicContact CG2-CE1 3.98Å; V174-Y198 HydrophobicContact CG2-CE2 3.52Å; V174-Y198 HydrophobicContact CG2-CG 4.36Å |
| 175 | L | 95.6 | Very high | 93.1 | Very high | 71 Ų | 71 | 57.1 Ų | 57.1 | 37% | 0.372 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.6 | -35.3 | 178.3 | -70.6 | 175.2 | 0 | 0 | 0 | 112.8 | L163 L166 L171 H173 A178 F179 | L163-L175 HydrophobicContact CD1-CB 3.69Å; L163-L175 HydrophobicContact CD1-CD1 4.32Å; L163-L175 HydrophobicContact CD2-CD1 4.39Å; L166-L175 HydrophobicContact CD1-CD1 3.37Å; L171-L175 HydrophobicContact CD1-CD1 4.26Å; L171-L175 HydrophobicContact CD1-CG 4.27Å; L171-L175 HydrophobicContact CG-CD1 4.03Å; L171-L175 HydrophobicContact CG-CG 4.46Å; L171-L175 WeakPolarHBondContact O-CB 3.37Å; L171-L175 WeakPolarHBondContact O-CG 3.44Å; L171-L175 PolarHBondContact O-N 3.19Å; H173-L175 VanDerWaalsContact C-N 3.33Å; H173-L175 PolarHBondContact O-N 3.01Å; L175-A178 PolarHBondContact O-N 3.42Å; L175-F179 WeakPolarHBondContact O-CB 3.44Å; L175-F179 PolarHBondContact O-N 3.05Å |
| 176 | T | 94.8 | Very high | 93.1 | Very high | 9 Ų | 9 | 55.2 Ų | 55.2 | 6% | 0.055 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 174.8 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | A155 C159 F160 S172 H173 V174 F179 L180 | A155-T176 HydrophobicContact CB-CG2 4.04Å; C159-T176 HydrophobicContact CB-CG2 3.91Å; F160-T176 VanDerWaalsContact CA-OG1 3.28Å; F160-T176 WeakPolarHBondContact CA-OG1 3.46Å; F160-T176 HydrophobicContact CB-CG2 4.34Å; F160-T176 WeakPolarHBondContact CB-OG1 3.43Å; F160-T176 PolarHBondContact N-OG1 2.95Å; S172-T176 WeakPolarHBondContact O-CB 3.29Å; S172-T176 PolarHBondContact O-N 3.38Å; S172-T176 PolarHBondContact O-OG1 3.36Å; H173-T176 PolarHBondContact O-N 3.27Å; H173-T176 VanDerWaalsContact O-N 3.15Å; V174-T176 VanDerWaalsContact C-N 3.35Å; V174-T176 PolarHBondContact O-N 3.05Å; T176-F179 WeakPolarHBondContact O-CB 3.49Å; T176-F179 PolarHBondContact O-N 3.26Å; T176-L180 WeakPolarHBondContact O-CG 3.35Å; T176-L180 PolarHBondContact O-N 3.38Å |
| 177 | L | 94.7 | Very high | 93.2 | Very high | 9 Ų | 9 | 57.6 Ų | 57.6 | 5% | 0.047 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.3 | -36.8 | 176.5 | -66.9 | 177.1 | 0 | 0 | 0 | 112.1 | H173 V174 F179 L180 A181 F194 E197 Y198 | H173-L177 WeakPolarHBondContact O-CG 3.2Å; H173-L177 PolarHBondContact O-N 3.18Å; V174-L177 PolarHBondContact O-N 3.06Å; L177-F179 VanDerWaalsContact C-N 3.34Å; L177-L180 HydrophobicContact CD2-CD1 4.31Å; L177-L180 PolarHBondContact O-N 3.21Å; L177-A181 PolarHBondContact O-N 3.39Å; L177-F194 HydrophobicContact CB-CB 4.29Å; L177-F194 HydrophobicContact CD2-CD1 3.97Å; L177-E197 WeakPolarHBondContact CD2-OE1 3.41Å; L177-Y198 HydrophobicContact CD1-CD2 3.9Å; L177-Y198 HydrophobicContact CD1-CG 4.2Å |
| 178 | A | 94.9 | Very high | 93.3 | Very high | 42 Ų | 42 | 58.4 Ų | 58.4 | 35% | 0.347 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V174 L175 A181 L182 | V174-A178 WeakPolarHBondContact O-CB 3.43Å; V174-A178 PolarHBondContact O-N 2.93Å; L175-A178 PolarHBondContact O-N 3.42Å; A178-A181 WeakPolarHBondContact O-CB 3.25Å; A178-A181 PolarHBondContact O-N 3.14Å; A178-L182 PolarHBondContact O-N 3.06Å |
| 179 | F | 94.1 | Very high | 93.4 | Very high | 80 Ų | 80 | 58.2 Ų | 58.2 | 35% | 0.351 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 171.7 | 171.6 | -88.1 | 0 | 0 | 0 | 111.3 | W154 L175 T176 L177 A181 L182 W183 | W154-F179 AromaticContact CH2-CE1 3.69Å; W154-F179 HydrophobicContact CH2-CE1 3.69Å; W154-F179 AromaticContact CH2-CZ 3.73Å; W154-F179 HydrophobicContact CH2-CZ 3.73Å; W154-F179 HydrophobicContact CZ3-CD1 4.33Å; W154-F179 AromaticContact CZ3-CE1 3.47Å; W154-F179 HydrophobicContact CZ3-CE1 3.47Å; W154-F179 VanDerWaalsContact CZ3-CE1 3.47Å; W154-F179 HydrophobicContact CZ3-CZ 4.02Å; L175-F179 WeakPolarHBondContact O-CB 3.44Å; L175-F179 PolarHBondContact O-N 3.05Å; T176-F179 WeakPolarHBondContact O-CB 3.49Å; T176-F179 PolarHBondContact O-N 3.26Å; L177-F179 VanDerWaalsContact C-N 3.34Å; F179-A181 VanDerWaalsContact C-N 3.33Å; F179-A181 PolarHBondContact O-N 3.34Å; F179-L182 PolarHBondContact O-N 3.17Å; F179-W183 HydrophobicContact CE1-CB 4.2Å; F179-W183 WeakPolarHBondContact O-CB 3.5Å; F179-W183 PolarHBondContact O-N 2.95Å |
| 180 | L | 93.1 | Very high | 93.4 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62 | -41.6 | 177.1 | -72.8 | 171.1 | 0 | 0 | 0 | 111.5 | T151 A155 T176 L177 L182 W183 H184 F194 | T151-L180 HydrophobicContact CG2-CD2 4.12Å; A155-L180 HydrophobicContact CB-CD1 4.25Å; A155-L180 HydrophobicContact CB-CD2 4.14Å; A155-L180 HydrophobicContact CB-CG 4.43Å; T176-L180 WeakPolarHBondContact O-CG 3.35Å; T176-L180 PolarHBondContact O-N 3.38Å; L177-L180 HydrophobicContact CD2-CD1 4.31Å; L177-L180 PolarHBondContact O-N 3.21Å; L180-L182 VanDerWaalsContact C-N 3.33Å; L180-L182 PolarHBondContact O-N 2.77Å; L180-W183 WeakPolarHBondContact O-CB 3.44Å; L180-W183 PolarHBondContact O-N 3.28Å; L180-H184 PolarHBondContact O-CD2 2.91Å; L180-H184 PolarHBondContact O-N 3.13Å; L180-F194 HydrophobicContact CB-CD1 4.22Å; L180-F194 HydrophobicContact CB-CE1 3.73Å; L180-F194 HydrophobicContact CB-CE2 4.24Å; L180-F194 HydrophobicContact CB-CZ 3.75Å; L180-F194 HydrophobicContact CD1-CE1 4.22Å |
| 181 | A | 94 | Very high | 93.6 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.7 | -49.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L177 A178 F179 W183 H184 G185 F191 F194 | L177-A181 PolarHBondContact O-N 3.39Å; A178-A181 WeakPolarHBondContact O-CB 3.25Å; A178-A181 PolarHBondContact O-N 3.14Å; F179-A181 VanDerWaalsContact C-N 3.33Å; F179-A181 PolarHBondContact O-N 3.34Å; A181-W183 VanDerWaalsContact C-N 3.34Å; A181-W183 PolarHBondContact O-N 3.12Å; A181-H184 PolarHBondContact O-N 3.46Å; A181-G185 PolarHBondContact O-N 3.31Å; A181-F191 HydrophobicContact CB-CD1 3.7Å; A181-F191 HydrophobicContact CB-CE1 3.9Å; A181-F191 HydrophobicContact CB-CG 4.04Å; A181-F191 HydrophobicContact CB-CZ 4.39Å; A181-F194 HydrophobicContact CB-CB 4.28Å; A181-F194 HydrophobicContact CB-CD2 3.49Å; A181-F194 VanDerWaalsContact CB-CD2 3.49Å; A181-F194 HydrophobicContact CB-CE2 4.23Å; A181-F194 HydrophobicContact CB-CG 4.17Å |
| 182 | L | 94.2 | Very high | 93.7 | Very high | 100 Ų | 100 | 52.8 Ų | 52.8 | 52% | 0.524 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 177.8 | -176.2 | 63.3 | 0 | 0 | 0 | 112.4 | A178 F179 L180 H184 G185 T186 | A178-L182 PolarHBondContact O-N 3.06Å; F179-L182 PolarHBondContact O-N 3.17Å; L180-L182 VanDerWaalsContact C-N 3.33Å; L180-L182 PolarHBondContact O-N 2.77Å; L182-H184 VanDerWaalsContact C-N 3.28Å; L182-H184 PolarHBondContact O-N 2.84Å; L182-G185 WeakPolarHBondContact O-CA 3.28Å; L182-G185 PolarHBondContact O-N 3.42Å; L182-T186 HydrophobicContact CD1-CG2 4.31Å |
| 183 | W | 91.6 | Very high | 93.6 | Very high | 66 Ų | 66 | 56.2 Ų | 56.2 | 25% | 0.25 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.7 | -36.3 | 176.2 | 175.6 | 83.5 | 0 | 0 | 0 | 111.9 | M6 F179 L180 A181 G185 | M6-W183 HydrophobicContact CE-CZ2 3.57Å; M6-W183 HydrophobicContact CG-CH2 4.44Å; M6-W183 HydrophobicContact CG-CZ2 3.8Å; M6-W183 HydrophobicContact SD-CH2 4.34Å; M6-W183 HydrophobicContact SD-CZ2 3.44Å; M6-W183 WeakPolarHBondContact SD-CZ2 3.27Å; F179-W183 HydrophobicContact CE1-CB 4.2Å; F179-W183 WeakPolarHBondContact O-CB 3.5Å; F179-W183 PolarHBondContact O-N 2.95Å; L180-W183 WeakPolarHBondContact O-CB 3.44Å; L180-W183 PolarHBondContact O-N 3.28Å; A181-W183 VanDerWaalsContact C-N 3.34Å; A181-W183 PolarHBondContact O-N 3.12Å; W183-G185 VanDerWaalsContact C-N 3.32Å |
| 184 | H | 89.2 | Confident | 93.6 | Very high | 24 Ų | 24 | 56.3 Ų | 56.3 | 11% | 0.111 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -72.4 | -24.7 | 171.8 | -79 | -76.9 | 0 | 0 | 0 | 113.3 | S3 F4 L180 A181 L182 Y190 F194 | S3-H184 WeakPolarHBondContact CB-O 3.48Å; S3-H184 PolarHBondContact OG-O 3.44Å; F4-H184 AromaticContact CD2-CE1 3.94Å; L180-H184 PolarHBondContact O-CD2 2.91Å; L180-H184 PolarHBondContact O-N 3.13Å; A181-H184 PolarHBondContact O-N 3.46Å; L182-H184 VanDerWaalsContact C-N 3.28Å; L182-H184 PolarHBondContact O-N 2.84Å; H184-Y190 HydrophobicContact CB-CD1 3.72Å; H184-Y190 HydrophobicContact CB-CD2 3.98Å; H184-Y190 HydrophobicContact CB-CE1 3.98Å; H184-Y190 HydrophobicContact CB-CE2 4.21Å; H184-Y190 HydrophobicContact CB-CG 3.73Å; H184-Y190 WeakPolarHBondContact O-CE2 3.17Å; H184-F194 AromaticContact CD2-CE2 3.34Å; H184-F194 WeakPolarHBondContact CD2-CE2 3.42Å; H184-F194 AromaticContact CD2-CZ 3.32Å; H184-F194 WeakPolarHBondContact CD2-CZ 3.45Å; H184-F194 AromaticContact NE2-CE2 4Å; H184-F194 AromaticContact NE2-CZ 3.53Å |
| 185 | G | 92.4 | Very high | 93.7 | Very high | 20 Ų | 20 | 58.6 Ų | 58.6 | 21% | 0.206 | 34% | 0.335 | C | S | . | . | trans | 139.8 | -174.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A181 L182 W183 | A181-G185 PolarHBondContact O-N 3.31Å; L182-G185 WeakPolarHBondContact O-CA 3.28Å; L182-G185 PolarHBondContact O-N 3.42Å; W183-G185 VanDerWaalsContact C-N 3.32Å | ||
| 186 | T | 92.9 | Very high | 93.6 | Very high | 120 Ų | 120 | 61.6 Ų | 61.6 | 74% | 0.736 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -92.3 | -1 | -175.7 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | L182 | L182-T186 HydrophobicContact CD1-CG2 4.31Š|
| 187 | N | 92.4 | Very high | 93.6 | Very high | 110 Ų | 110 | 62.1 Ų | 62.1 | 59% | 0.588 | 35% | 0.347 | S | S | * | . | trans | -67.8 | 134.8 | 178.5 | -66.4 | -49 | 0 | 0 | 0 | 111.1 | G189 Y190 | N187-G189 PolarHBondContact O-N 3.02Å; N187-G189 VanDerWaalsContact O-N 3.14Å; N187-Y190 HydrophobicContact CB-CD2 3.93Å; N187-Y190 HydrophobicContact CB-CE2 3.99Å; N187-Y190 PolarHBondContact O-N 3.02Å; N187-Y190 VanDerWaalsContact O-N 3.1Å | ||
| 188 | S | 94 | Very high | 93.6 | Very high | 95 Ų | 95 | 63.9 Ų | 63.9 | 66% | 0.664 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -56.2 | -33.2 | -177.3 | 57 | 0 | 0 | 0 | 0 | 113.7 | Y190 F191 V192 | S188-Y190 PolarHBondContact O-N 3.39Å; S188-F191 PolarHBondContact O-N 3.43Å; S188-F191 VanDerWaalsContact O-N 3.12Å; S188-V192 PolarHBondContact O-N 3.44Å; S188-V192 VanDerWaalsContact O-N 3.08Å |
| 189 | G | 92.4 | Very high | 93.6 | Very high | 46 Ų | 46 | 65.7 Ų | 65.7 | 47% | 0.474 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.6 | -32.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N187 C193 | N187-G189 PolarHBondContact O-N 3.02Å; N187-G189 VanDerWaalsContact O-N 3.14Å; G189-C193 WeakPolarHBondContact O-CB 3.19Å; G189-C193 PolarHBondContact O-N 3.47Å |
| 190 | Y | 93.1 | Very high | 93.6 | Very high | 54 Ų | 54 | 64.2 Ų | 64.2 | 21% | 0.212 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.5 | -46.8 | 176.4 | -62.5 | -52.1 | 0 | 0 | 0 | 111.4 | H184 N187 S188 V192 C193 F194 | H184-Y190 HydrophobicContact CB-CD1 3.72Å; H184-Y190 HydrophobicContact CB-CD2 3.98Å; H184-Y190 HydrophobicContact CB-CE1 3.98Å; H184-Y190 HydrophobicContact CB-CE2 4.21Å; H184-Y190 HydrophobicContact CB-CG 3.73Å; H184-Y190 WeakPolarHBondContact O-CE2 3.17Å; N187-Y190 HydrophobicContact CB-CD2 3.93Å; N187-Y190 HydrophobicContact CB-CE2 3.99Å; N187-Y190 PolarHBondContact O-N 3.02Å; N187-Y190 VanDerWaalsContact O-N 3.1Å; S188-Y190 PolarHBondContact O-N 3.39Å; Y190-V192 VanDerWaalsContact C-N 3.31Å; Y190-V192 PolarHBondContact O-N 2.96Å; Y190-C193 WeakPolarHBondContact O-CB 3.42Å; Y190-C193 PolarHBondContact O-N 3.46Å; Y190-F194 WeakPolarHBondContact O-CD2 3.46Å; Y190-F194 PolarHBondContact O-N 3.04Å |
| 191 | F | 95.3 | Very high | 93.6 | Very high | 89 Ų | 89 | 63.9 Ų | 63.9 | 39% | 0.39 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61 | -40.8 | 177.9 | -66 | -89 | 0 | 0 | 0 | 112.3 | A181 S188 L195 | A181-F191 HydrophobicContact CB-CD1 3.7Å; A181-F191 HydrophobicContact CB-CE1 3.9Å; A181-F191 HydrophobicContact CB-CG 4.04Å; A181-F191 HydrophobicContact CB-CZ 4.39Å; S188-F191 PolarHBondContact O-N 3.43Å; S188-F191 VanDerWaalsContact O-N 3.12Å; F191-L195 VanDerWaalsContact O-CB 3.29Å; F191-L195 WeakPolarHBondContact O-CB 3.29Å; F191-L195 PolarHBondContact O-N 2.96Å |
| 192 | V | 95.5 | Very high | 93.6 | Very high | 76 Ų | 76 | 65.5 Ų | 65.5 | 46% | 0.461 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 175.4 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | S188 Y190 L195 F196 | S188-V192 PolarHBondContact O-N 3.44Å; S188-V192 VanDerWaalsContact O-N 3.08Å; Y190-V192 VanDerWaalsContact C-N 3.31Å; Y190-V192 PolarHBondContact O-N 2.96Å; V192-L195 PolarHBondContact O-N 3.33Å; V192-F196 HydrophobicContact CG1-CD2 3.64Å; V192-F196 HydrophobicContact CG1-CE2 3.57Å; V192-F196 VanDerWaalsContact O-CD2 3.25Å; V192-F196 WeakPolarHBondContact O-CD2 3.45Å; V192-F196 PolarHBondContact O-N 3.25Å |
| 193 | C | 93.5 | Very high | 93.5 | Very high | 77 Ų | 77 | 63.1 Ų | 63.1 | 52% | 0.52 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.7 | -49.9 | 178.4 | -175.7 | 0 | 0 | 0 | 0 | 112.3 | G189 Y190 L195 F196 E197 | G189-C193 WeakPolarHBondContact O-CB 3.19Å; G189-C193 PolarHBondContact O-N 3.47Å; Y190-C193 WeakPolarHBondContact O-CB 3.42Å; Y190-C193 PolarHBondContact O-N 3.46Å; C193-L195 VanDerWaalsContact C-N 3.35Å; C193-L195 PolarHBondContact O-N 3.22Å; C193-F196 PolarHBondContact O-N 3.44Å; C193-E197 PolarHBondContact O-N 3.12Å |
| 194 | F | 93.9 | Very high | 93.5 | Very high | 23 Ų | 23 | 61.9 Ų | 61.9 | 10% | 0.101 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.5 | -29 | 179.2 | -76.2 | -68.7 | 0 | 0 | 0 | 113.5 | L177 L180 A181 H184 Y190 E197 Y198 | L177-F194 HydrophobicContact CB-CB 4.29Å; L177-F194 HydrophobicContact CD2-CD1 3.97Å; L180-F194 HydrophobicContact CB-CD1 4.22Å; L180-F194 HydrophobicContact CB-CE1 3.73Å; L180-F194 HydrophobicContact CB-CE2 4.24Å; L180-F194 HydrophobicContact CB-CZ 3.75Å; L180-F194 HydrophobicContact CD1-CE1 4.22Å; A181-F194 HydrophobicContact CB-CB 4.28Å; A181-F194 HydrophobicContact CB-CD2 3.49Å; A181-F194 VanDerWaalsContact CB-CD2 3.49Å; A181-F194 HydrophobicContact CB-CE2 4.23Å; A181-F194 HydrophobicContact CB-CG 4.17Å; H184-F194 AromaticContact CD2-CE2 3.34Å; H184-F194 WeakPolarHBondContact CD2-CE2 3.42Å; H184-F194 AromaticContact CD2-CZ 3.32Å; H184-F194 WeakPolarHBondContact CD2-CZ 3.45Å; H184-F194 AromaticContact NE2-CE2 4Å; H184-F194 AromaticContact NE2-CZ 3.53Å; Y190-F194 WeakPolarHBondContact O-CD2 3.46Å; Y190-F194 PolarHBondContact O-N 3.04Å; F194-E197 VanDerWaalsContact CD1-OE2 3.29Å; F194-E197 WeakPolarHBondContact CD1-OE2 3.43Å; F194-E197 WeakPolarHBondContact CE1-OE2 3.39Å; F194-E197 WeakPolarHBondContact O-CB 3.42Å; F194-E197 PolarHBondContact O-N 3.36Å; F194-Y198 PolarHBondContact O-N 3.3Å |
| 195 | L | 95.3 | Very high | 93.6 | Very high | 111 Ų | 111 | 66.5 Ų | 66.5 | 58% | 0.581 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -65.4 | -45.2 | 170.4 | 179.2 | 62.7 | 0 | 0 | 0 | 111.1 | F191 V192 C193 E197 Y198 V199 | F191-L195 VanDerWaalsContact O-CB 3.29Å; F191-L195 WeakPolarHBondContact O-CB 3.29Å; F191-L195 PolarHBondContact O-N 2.96Å; V192-L195 PolarHBondContact O-N 3.33Å; C193-L195 VanDerWaalsContact C-N 3.35Å; C193-L195 PolarHBondContact O-N 3.22Å; L195-E197 VanDerWaalsContact C-N 3.28Å; L195-E197 PolarHBondContact O-N 3.32Å; L195-Y198 WeakPolarHBondContact O-CB 3.25Å; L195-Y198 PolarHBondContact O-N 3.25Å; L195-V199 WeakPolarHBondContact O-CG2 3.42Å; L195-V199 PolarHBondContact O-N 2.93Å |
| 196 | F | 94.7 | Very high | 93.6 | Very high | 133 Ų | 133 | 70.4 Ų | 70.4 | 58% | 0.583 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.3 | -39.6 | 173.4 | -87.4 | -67.9 | 0 | 0 | 0 | 111.7 | V192 C193 Y198 V199 C200 | V192-F196 HydrophobicContact CG1-CD2 3.64Å; V192-F196 HydrophobicContact CG1-CE2 3.57Å; V192-F196 VanDerWaalsContact O-CD2 3.25Å; V192-F196 WeakPolarHBondContact O-CD2 3.45Å; V192-F196 PolarHBondContact O-N 3.25Å; C193-F196 PolarHBondContact O-N 3.44Å; F196-Y198 VanDerWaalsContact C-N 3.34Å; F196-Y198 PolarHBondContact O-N 2.94Å; F196-V199 PolarHBondContact O-N 3.38Å; F196-C200 WeakPolarHBondContact O-CB 3.42Å; F196-C200 PolarHBondContact O-N 2.95Å; F196-C200 PolarHBondContact O-SG 3.47Å |
| 197 | E | 94.6 | Very high | 93.3 | Very high | 20 Ų | 20 | 69.1 Ų | 69.1 | 9% | 0.093 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -55.9 | -50.7 | 173.9 | -167.7 | -170.4 | 138 | 0 | 0 | 110.9 | F140 I144 L177 C193 F194 L195 V199 C200 V201 | F140-E197 HydrophobicContact CE1-CB 4.37Å; F140-E197 HydrophobicContact CE1-CG 3.87Å; F140-E197 HydrophobicContact CZ-CG 4.36Å; I144-E197 HydrophobicContact CD1-CG 3.48Å; I144-E197 VanDerWaalsContact CD1-CG 3.48Å; I144-E197 HydrophobicContact CG1-CG 4.17Å; L177-E197 WeakPolarHBondContact CD2-OE1 3.41Å; C193-E197 PolarHBondContact O-N 3.12Å; F194-E197 VanDerWaalsContact CD1-OE2 3.29Å; F194-E197 WeakPolarHBondContact CD1-OE2 3.43Å; F194-E197 WeakPolarHBondContact CE1-OE2 3.39Å; F194-E197 WeakPolarHBondContact O-CB 3.42Å; F194-E197 PolarHBondContact O-N 3.36Å; L195-E197 VanDerWaalsContact C-N 3.28Å; L195-E197 PolarHBondContact O-N 3.32Å; E197-V199 PolarHBondContact O-N 2.98Å; E197-C200 PolarHBondContact O-N 3.4Å; E197-V201 HydrophobicContact CG-CG2 4.41Å; E197-V201 WeakPolarHBondContact O-CB 3.41Å; E197-V201 VanDerWaalsContact O-CG2 3.26Å; E197-V201 WeakPolarHBondContact O-CG2 3.38Å; E197-V201 PolarHBondContact O-N 3.24Å |
| 198 | Y | 94.6 | Very high | 93.1 | Very high | 47 Ų | 47 | 66.2 Ų | 66.2 | 18% | 0.184 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56 | -48.7 | 177.1 | -178.1 | -106.3 | 0 | 0 | 0 | 112.1 | H173 V174 L177 F194 L195 F196 V201 I202 | H173-Y198 HydrophobicContact CB-CE2 4.24Å; H173-Y198 AromaticContact CE1-CD2 3.78Å; H173-Y198 AromaticContact ND1-CD2 3.43Å; H173-Y198 WeakPolarHBondContact ND1-CD2 3.43Å; H173-Y198 AromaticContact ND1-CE2 3.45Å; H173-Y198 WeakPolarHBondContact ND1-CE2 3.41Å; V174-Y198 HydrophobicContact CG2-CD1 4.37Å; V174-Y198 HydrophobicContact CG2-CD2 3.96Å; V174-Y198 HydrophobicContact CG2-CE1 3.98Å; V174-Y198 HydrophobicContact CG2-CE2 3.52Å; V174-Y198 HydrophobicContact CG2-CG 4.36Å; L177-Y198 HydrophobicContact CD1-CD2 3.9Å; L177-Y198 HydrophobicContact CD1-CG 4.2Å; F194-Y198 PolarHBondContact O-N 3.3Å; L195-Y198 WeakPolarHBondContact O-CB 3.25Å; L195-Y198 PolarHBondContact O-N 3.25Å; F196-Y198 VanDerWaalsContact C-N 3.34Å; F196-Y198 PolarHBondContact O-N 2.94Å; Y198-V201 PolarHBondContact O-N 3.46Å; Y198-I202 HydrophobicContact CD1-CG1 4.37Å; Y198-I202 HydrophobicContact CD2-CG1 4.25Å; Y198-I202 HydrophobicContact CE1-CG1 4Å; Y198-I202 HydrophobicContact CE2-CD1 4.1Å; Y198-I202 HydrophobicContact CE2-CG1 3.86Å; Y198-I202 HydrophobicContact CG-CG1 4.48Å; Y198-I202 WeakPolarHBondContact O-CB 3.27Å; Y198-I202 VanDerWaalsContact O-CG1 3.29Å; Y198-I202 WeakPolarHBondContact O-CG1 3.17Å; Y198-I202 PolarHBondContact O-N 2.88Å |
| 199 | V | 95.3 | Very high | 92.9 | Very high | 80 Ų | 80 | 68.5 Ų | 68.5 | 49% | 0.485 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.5 | -48.7 | -179.3 | 172.3 | 0 | 0 | 0 | 0 | 111 | L195 F196 E197 V201 I202 A203 | L195-V199 WeakPolarHBondContact O-CG2 3.42Å; L195-V199 PolarHBondContact O-N 2.93Å; F196-V199 PolarHBondContact O-N 3.38Å; E197-V199 PolarHBondContact O-N 2.98Å; V199-V201 PolarHBondContact O-N 2.9Å; V199-I202 PolarHBondContact O-N 3.01Å; V199-A203 VanDerWaalsContact O-CB 3.32Å; V199-A203 WeakPolarHBondContact O-CB 3.27Å; V199-A203 PolarHBondContact O-N 2.91Å |
| 200 | C | 94.2 | Very high | 92.7 | Very high | 49 Ų | 49 | 70.1 Ų | 70.1 | 33% | 0.331 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 178.9 | -74.6 | 0 | 0 | 0 | 0 | 111.8 | F140 F196 E197 A203 E204 | F140-C200 HydrophobicContact CD1-CB 3.41Å; F140-C200 VanDerWaalsContact CD1-CB 3.41Å; F140-C200 HydrophobicContact CD2-CB 4.31Å; F140-C200 HydrophobicContact CE1-CB 3.36Å; F140-C200 HydrophobicContact CE2-CB 4.29Å; F140-C200 HydrophobicContact CG-CB 3.9Å; F140-C200 HydrophobicContact CZ-CB 3.84Å; F196-C200 WeakPolarHBondContact O-CB 3.42Å; F196-C200 PolarHBondContact O-N 2.95Å; F196-C200 PolarHBondContact O-SG 3.47Å; E197-C200 PolarHBondContact O-N 3.4Å; C200-A203 PolarHBondContact O-N 3.49Å; C200-E204 WeakPolarHBondContact O-CB 3.26Å; C200-E204 PolarHBondContact O-N 3.45Å |
| 201 | V | 93.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.006 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 177.7 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | F140 I144 E197 Y198 V199 E204 R205 | F140-V201 HydrophobicContact CD1-CG2 3.93Å; F140-V201 HydrophobicContact CE1-CG2 4.17Å; I144-V201 HydrophobicContact CD1-CG2 3.45Å; I144-V201 VanDerWaalsContact CD1-CG2 3.45Å; E197-V201 HydrophobicContact CG-CG2 4.41Å; E197-V201 WeakPolarHBondContact O-CB 3.41Å; E197-V201 VanDerWaalsContact O-CG2 3.26Å; E197-V201 WeakPolarHBondContact O-CG2 3.38Å; E197-V201 PolarHBondContact O-N 3.24Å; Y198-V201 PolarHBondContact O-N 3.46Å; V199-V201 PolarHBondContact O-N 2.9Å; V201-E204 PolarHBondContact O-N 3.27Å; V201-R205 HydrophobicContact CG1-CG 4.47Å; V201-R205 VanDerWaalsContact CG1-CZ 3.45Å; V201-R205 WeakPolarHBondContact O-CB 3.24Å; V201-R205 VanDerWaalsContact O-CG 3.24Å; V201-R205 WeakPolarHBondContact O-CG 3.29Å; V201-R205 PolarHBondContact O-N 3.47Å |
| 202 | I | 92.7 | Very high | 91.9 | Very high | 34 Ų | 34 | 75.9 Ų | 75.9 | 17% | 0.174 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.1 | -44.4 | 177.2 | -68.6 | -63.4 | 0 | 0 | 0 | 110.9 | Y198 V199 E204 R205 Q206 | Y198-I202 HydrophobicContact CD1-CG1 4.37Å; Y198-I202 HydrophobicContact CD2-CG1 4.25Å; Y198-I202 HydrophobicContact CE1-CG1 4Å; Y198-I202 HydrophobicContact CE2-CD1 4.1Å; Y198-I202 HydrophobicContact CE2-CG1 3.86Å; Y198-I202 HydrophobicContact CG-CG1 4.48Å; Y198-I202 WeakPolarHBondContact O-CB 3.27Å; Y198-I202 VanDerWaalsContact O-CG1 3.29Å; Y198-I202 WeakPolarHBondContact O-CG1 3.17Å; Y198-I202 PolarHBondContact O-N 2.88Å; V199-I202 PolarHBondContact O-N 3.01Å; I202-E204 VanDerWaalsContact C-N 3.35Å; I202-E204 PolarHBondContact O-N 3.41Å; I202-R205 PolarHBondContact O-N 3.4Å; I202-Q206 HydrophobicContact CG2-CG 4.39Å; I202-Q206 WeakPolarHBondContact O-CB 3.39Å; I202-Q206 VanDerWaalsContact O-CG 3.31Å; I202-Q206 WeakPolarHBondContact O-CG 3.35Å; I202-Q206 PolarHBondContact O-N 2.95Å |
| 203 | A | 93.2 | Very high | 91.6 | Very high | 50 Ų | 50 | 76.1 Ų | 76.1 | 41% | 0.413 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V199 C200 Q206 F207 | V199-A203 VanDerWaalsContact O-CB 3.32Å; V199-A203 WeakPolarHBondContact O-CB 3.27Å; V199-A203 PolarHBondContact O-N 2.91Å; C200-A203 PolarHBondContact O-N 3.49Å; A203-Q206 PolarHBondContact O-N 3.5Å; A203-F207 VanDerWaalsContact O-CB 3.31Å; A203-F207 WeakPolarHBondContact O-CB 3.3Å; A203-F207 PolarHBondContact O-N 3.44Å |
| 204 | E | 92.4 | Very high | 91.3 | Very high | 41 Ų | 41 | 76.3 Ų | 76.3 | 19% | 0.192 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 177.3 | -168 | -168.8 | 145.7 | 0 | 0 | 111.8 | T139 F140 Q141 C200 V201 I202 Q206 F207 T208 | T139-E204 WeakPolarHBondContact CB-OE1 3.39Å; T139-E204 WeakPolarHBondContact CG2-OE1 3.34Å; F140-E204 WeakPolarHBondContact CA-OE2 3.33Å; F140-E204 VanDerWaalsContact CB-OE2 3.27Å; F140-E204 WeakPolarHBondContact CB-OE2 3.27Å; F140-E204 PolarHBondContact N-OE2 2.94Å; Q141-E204 PolarHBondContact N-OE2 2.95Å; C200-E204 WeakPolarHBondContact O-CB 3.26Å; C200-E204 PolarHBondContact O-N 3.45Å; V201-E204 PolarHBondContact O-N 3.27Å; I202-E204 VanDerWaalsContact C-N 3.35Å; I202-E204 PolarHBondContact O-N 3.41Å; E204-Q206 PolarHBondContact O-N 2.87Å; E204-F207 PolarHBondContact O-N 3.19Å; E204-T208 WeakPolarHBondContact O-CB 3.39Å; E204-T208 PolarHBondContact O-N 2.94Å; E204-T208 PolarHBondContact O-OG1 3.36Å |
| 205 | R | 90.7 | Very high | 90.8 | Very high | 121 Ų | 121 | 78.3 Ų | 78.3 | 46% | 0.457 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 177.3 | -76.4 | 176.1 | -171.2 | 174.3 | 8.4 | 111.6 | V201 I202 R209 | V201-R205 HydrophobicContact CG1-CG 4.47Å; V201-R205 VanDerWaalsContact CG1-CZ 3.45Å; V201-R205 WeakPolarHBondContact O-CB 3.24Å; V201-R205 VanDerWaalsContact O-CG 3.24Å; V201-R205 WeakPolarHBondContact O-CG 3.29Å; V201-R205 PolarHBondContact O-N 3.47Å; I202-R205 PolarHBondContact O-N 3.4Å; R205-R209 WeakPolarHBondContact O-CB 3.32Å; R205-R209 PolarHBondContact O-N 2.93Å |
| 206 | Q | 91.1 | Very high | 90.4 | Very high | 102 Ų | 102 | 74.6 Ų | 74.6 | 48% | 0.477 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 176.3 | -72.8 | 177.1 | -14.3 | 0 | 0 | 111.3 | I202 A203 E204 T208 R209 N210 | I202-Q206 HydrophobicContact CG2-CG 4.39Å; I202-Q206 WeakPolarHBondContact O-CB 3.39Å; I202-Q206 VanDerWaalsContact O-CG 3.31Å; I202-Q206 WeakPolarHBondContact O-CG 3.35Å; I202-Q206 PolarHBondContact O-N 2.95Å; A203-Q206 PolarHBondContact O-N 3.5Å; E204-Q206 PolarHBondContact O-N 2.87Å; Q206-T208 PolarHBondContact O-N 3.28Å; Q206-R209 PolarHBondContact O-N 3.41Å; Q206-N210 WeakPolarHBondContact O-CB 3.47Å; Q206-N210 PolarHBondContact O-N 3.39Å; Q206-N210 PolarHBondContact O-ND2 3.03Å; Q206-N210 PolarHBondContact O-OD1 3.34Å |
| 207 | F | 88.5 | Confident | 90 | Very high | 92 Ų | 92 | 75.4 Ų | 75.4 | 40% | 0.404 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 178.8 | -178.2 | -111.5 | 0 | 0 | 0 | 112 | A203 E204 R211 | A203-F207 VanDerWaalsContact O-CB 3.31Å; A203-F207 WeakPolarHBondContact O-CB 3.3Å; A203-F207 PolarHBondContact O-N 3.44Å; E204-F207 PolarHBondContact O-N 3.19Å; F207-R211 HydrophobicContact CZ-CG 4.45Å; F207-R211 WeakPolarHBondContact O-CG 3.31Å; F207-R211 PolarHBondContact O-N 3.23Å |
| 208 | T | 88.1 | Confident | 89.5 | Confident | 49 Ų | 49 | 77.1 Ų | 77.1 | 30% | 0.301 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.6 | -39 | 179.4 | -63.7 | 0 | 0 | 0 | 0 | 112.3 | E204 Q206 R211 R212 | E204-T208 WeakPolarHBondContact O-CB 3.39Å; E204-T208 PolarHBondContact O-N 2.94Å; E204-T208 PolarHBondContact O-OG1 3.36Å; Q206-T208 PolarHBondContact O-N 3.28Å; T208-R211 PolarHBondContact OG1-NH2 3.34Å; T208-R212 WeakPolarHBondContact O-CB 3.47Å; T208-R212 PolarHBondContact O-N 3.36Å |
| 209 | R | 89 | Confident | 89 | Confident | 144 Ų | 144 | 77.5 Ų | 77.5 | 54% | 0.543 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.1 | -50.7 | 173.2 | -177.8 | 178.9 | 67.8 | 175.7 | 2.4 | 111.3 | R205 Q206 R211 R212 E213 | R205-R209 WeakPolarHBondContact O-CB 3.32Å; R205-R209 PolarHBondContact O-N 2.93Å; Q206-R209 PolarHBondContact O-N 3.41Å; R209-R211 VanDerWaalsContact C-N 3.32Å; R209-R211 PolarHBondContact O-N 3.48Å; R209-R212 PolarHBondContact O-N 2.9Å; R209-R212 VanDerWaalsContact O-N 3.16Å; R209-E213 WeakPolarHBondContact CD-OE1 3.31Å; R209-E213 HydrophobicContact CG-CG 4.38Å; R209-E213 VanDerWaalsContact CG-OE1 3.24Å; R209-E213 WeakPolarHBondContact CG-OE1 3.36Å; R209-E213 IonicContact NE-OE1 3.7Å; R209-E213 WeakPolarHBondContact O-CG 3.39Å; R209-E213 PolarHBondContact O-N 3.46Å |
| 210 | N | 88.5 | Confident | 88.5 | Confident | 79 Ų | 79 | 82.4 Ų | 82.4 | 42% | 0.422 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | -179 | -68.2 | -5.7 | 0 | 0 | 0 | 111.7 | Q206 K214 | Q206-N210 WeakPolarHBondContact O-CB 3.47Å; Q206-N210 PolarHBondContact O-N 3.39Å; Q206-N210 PolarHBondContact O-ND2 3.03Å; Q206-N210 PolarHBondContact O-OD1 3.34Å; N210-K214 WeakPolarHBondContact O-CG 3.22Å; N210-K214 PolarHBondContact O-N 3.36Å; N210-K214 VanDerWaalsContact O-N 3.09Å |
| 211 | R | 84.2 | Confident | 88 | Confident | 80 Ų | 80 | 86.9 Ų | 86.9 | 30% | 0.302 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 174.2 | -74.7 | -170.4 | -61.9 | 173.9 | 0.5 | 112.3 | F207 T208 R209 E213 K214 W215 L239 | F207-R211 HydrophobicContact CZ-CG 4.45Å; F207-R211 WeakPolarHBondContact O-CG 3.31Å; F207-R211 PolarHBondContact O-N 3.23Å; T208-R211 PolarHBondContact OG1-NH2 3.34Å; R209-R211 VanDerWaalsContact C-N 3.32Å; R209-R211 PolarHBondContact O-N 3.48Å; R211-E213 VanDerWaalsContact C-N 3.34Å; R211-E213 PolarHBondContact O-N 2.97Å; R211-K214 PolarHBondContact O-N 3.09Å; R211-W215 WeakPolarHBondContact O-CB 3.36Å; R211-W215 PolarHBondContact O-N 2.94Å; R211-L239 HydrophobicContact CG-CD2 4.38Å |
| 212 | R | 87.4 | Confident | 87.4 | Confident | 185 Ų | 185 | 87.8 Ų | 87.8 | 70% | 0.698 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.3 | -41.9 | 178.3 | -176.5 | -177.2 | -72.6 | -168.6 | -3.1 | 111.6 | T208 R209 W215 A216 | T208-R212 WeakPolarHBondContact O-CB 3.47Å; T208-R212 PolarHBondContact O-N 3.36Å; R209-R212 PolarHBondContact O-N 2.9Å; R209-R212 VanDerWaalsContact O-N 3.16Å; R212-W215 PolarHBondContact O-N 3.36Å; R212-A216 VanDerWaalsContact O-CB 3.27Å; R212-A216 WeakPolarHBondContact O-CB 3.4Å; R212-A216 PolarHBondContact O-N 2.89Å |
| 213 | E | 89.4 | Confident | 86.7 | Confident | 80 Ų | 80 | 89.9 Ų | 89.9 | 37% | 0.374 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 177.8 | -74.2 | 175.6 | -165.2 | 0 | 0 | 112.3 | R209 R211 A216 R217 | R209-E213 WeakPolarHBondContact CD-OE1 3.31Å; R209-E213 HydrophobicContact CG-CG 4.38Å; R209-E213 VanDerWaalsContact CG-OE1 3.24Å; R209-E213 WeakPolarHBondContact CG-OE1 3.36Å; R209-E213 IonicContact NE-OE1 3.7Å; R209-E213 WeakPolarHBondContact O-CG 3.39Å; R209-E213 PolarHBondContact O-N 3.46Å; R211-E213 VanDerWaalsContact C-N 3.34Å; R211-E213 PolarHBondContact O-N 2.97Å; E213-A216 PolarHBondContact O-N 2.99Å; E213-R217 WeakPolarHBondContact O-CG 3.32Å; E213-R217 PolarHBondContact O-N 2.78Å |
| 214 | K | 86.4 | Confident | 85.8 | Confident | 82 Ų | 82 | 92.9 Ų | 92.9 | 36% | 0.357 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 174.6 | -76 | -169.9 | 171.8 | -155.6 | 0 | 111.4 | N210 R211 R217 Q218 W235 L239 E242 | N210-K214 WeakPolarHBondContact O-CG 3.22Å; N210-K214 PolarHBondContact O-N 3.36Å; N210-K214 VanDerWaalsContact O-N 3.09Å; R211-K214 PolarHBondContact O-N 3.09Å; K214-R217 PolarHBondContact O-N 2.87Å; K214-Q218 PolarHBondContact O-N 2.92Å; K214-W235 HydrophobicContact CB-CZ2 4.03Å; K214-L239 HydrophobicContact CD-CD1 3.51Å; K214-E242 IonicContact NZ-OE2 2.69Å |
| 215 | W | 83.7 | Confident | 84.9 | Confident | 65 Ų | 65 | 99.7 Ų | 99.7 | 25% | 0.246 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 176 | -177.5 | -114.5 | 0 | 0 | 0 | 112.3 | R211 R212 R217 Q218 V219 L227 F232 W235 | R211-W215 WeakPolarHBondContact O-CB 3.36Å; R211-W215 PolarHBondContact O-N 2.94Å; R212-W215 PolarHBondContact O-N 3.36Å; W215-R217 VanDerWaalsContact C-N 3.26Å; W215-R217 PolarHBondContact O-N 3.38Å; W215-Q218 HydrophobicContact CE3-CB 4.3Å; W215-Q218 HydrophobicContact CZ3-CG 4.34Å; W215-Q218 WeakPolarHBondContact O-CA 3.48Å; W215-Q218 WeakPolarHBondContact O-CB 3.28Å; W215-Q218 PolarHBondContact O-N 2.88Å; W215-V219 HydrophobicContact CD2-CG2 4.1Å; W215-V219 HydrophobicContact CG-CG2 4.35Å; W215-V219 HydrophobicContact CZ2-CG2 3.91Å; W215-V219 WeakPolarHBondContact O-CG2 3.31Å; W215-V219 PolarHBondContact O-N 3.34Å; W215-L227 HydrophobicContact CH2-CD2 4.48Å; W215-L227 HydrophobicContact CZ2-CD2 4.42Å; W215-F232 HydrophobicContact CD2-CD2 4Å; W215-F232 HydrophobicContact CD2-CE2 4.36Å; W215-F232 AromaticContact CE2-CD2 3.85Å; W215-F232 AromaticContact CE3-CD2 3.93Å; W215-F232 HydrophobicContact CE3-CD2 3.93Å; W215-F232 HydrophobicContact CE3-CE2 4.47Å; W215-F232 HydrophobicContact CH2-CB 3.62Å; W215-F232 AromaticContact CH2-CD2 3.61Å; W215-F232 HydrophobicContact CH2-CD2 3.61Å; W215-F232 HydrophobicContact CH2-CG 4.11Å; W215-F232 HydrophobicContact CZ2-CB 4.09Å; W215-F232 AromaticContact CZ2-CD2 3.67Å; W215-F232 HydrophobicContact CZ2-CD2 3.67Å; W215-F232 HydrophobicContact CZ2-CG 4.33Å; W215-F232 HydrophobicContact CZ3-CB 4.24Å; W215-F232 AromaticContact CZ3-CD2 3.73Å; W215-F232 HydrophobicContact CZ3-CD2 3.73Å; W215-F232 HydrophobicContact CZ3-CG 4.47Å; W215-W235 HydrophobicContact CB-CH2 3.69Å; W215-W235 HydrophobicContact CB-CZ2 3.96Å; W215-W235 HydrophobicContact CB-CZ3 4.25Å; W215-W235 HydrophobicContact CD2-CE3 4.3Å; W215-W235 HydrophobicContact CD2-CH2 4.45Å; W215-W235 HydrophobicContact CD2-CZ3 4.22Å; W215-W235 AromaticContact CE3-CD2 3.41Å; W215-W235 HydrophobicContact CE3-CD2 3.41Å; W215-W235 VanDerWaalsContact CE3-CD2 3.41Å; W215-W235 AromaticContact CE3-CE2 3.78Å; W215-W235 AromaticContact CE3-CE3 3.34Å; W215-W235 HydrophobicContact CE3-CE3 3.34Å; W215-W235 AromaticContact CE3-CG 3.99Å; W215-W235 HydrophobicContact CE3-CG 3.99Å; W215-W235 HydrophobicContact CE3-CH2 4.01Å; W215-W235 HydrophobicContact CE3-CZ2 4.07Å; W215-W235 AromaticContact CE3-CZ3 3.65Å; W215-W235 HydrophobicContact CE3-CZ3 3.65Å; W215-W235 HydrophobicContact CG-CH2 4.38Å; W215-W235 HydrophobicContact CG-CZ3 4.49Å; W215-W235 HydrophobicContact CZ3-CB 4.02Å; W215-W235 AromaticContact CZ3-CD2 3.69Å; W215-W235 HydrophobicContact CZ3-CD2 3.69Å; W215-W235 AromaticContact CZ3-CE3 3.68Å; W215-W235 HydrophobicContact CZ3-CE3 3.68Å; W215-W235 AromaticContact CZ3-CG 3.82Å; W215-W235 HydrophobicContact CZ3-CG 3.82Å; W215-W235 HydrophobicContact CZ3-CZ3 4.4Å |
| 216 | A | 87 | Confident | 84 | Confident | 33 Ų | 33 | 96.6 Ų | 96.6 | 27% | 0.273 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.9 | -32.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R212 E213 R220 | R212-A216 VanDerWaalsContact O-CB 3.27Å; R212-A216 WeakPolarHBondContact O-CB 3.4Å; R212-A216 PolarHBondContact O-N 2.89Å; E213-A216 PolarHBondContact O-N 2.99Å; A216-R220 WeakPolarHBondContact O-CG 3.22Å; A216-R220 PolarHBondContact O-N 3.47Å; A216-R220 PolarHBondContact O-NE 3.14Å |
| 217 | R | 86.3 | Confident | 83.4 | Confident | 149 Ų | 149 | 95 Ų | 95 | 56% | 0.562 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -67.3 | -44.7 | 170.4 | -70 | 177.4 | -154.1 | -163.5 | 5.3 | 111.3 | E213 K214 W215 V219 R220 L221 | E213-R217 WeakPolarHBondContact O-CG 3.32Å; E213-R217 PolarHBondContact O-N 2.78Å; K214-R217 PolarHBondContact O-N 2.87Å; W215-R217 VanDerWaalsContact C-N 3.26Å; W215-R217 PolarHBondContact O-N 3.38Å; R217-V219 PolarHBondContact O-N 3.31Å; R217-R220 PolarHBondContact O-N 2.9Å; R217-L221 WeakPolarHBondContact O-CG 3.44Å; R217-L221 PolarHBondContact O-N 2.86Å; R217-L221 VanDerWaalsContact O-N 3.14Å |
| 218 | Q | 83 | Confident | 83 | Confident | 56 Ų | 56 | 94.7 Ų | 94.7 | 26% | 0.262 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58 | -49.9 | 176.5 | -170.3 | 68.4 | 7.2 | 0 | 0 | 111.1 | K214 W215 R220 L221 S222 | K214-Q218 PolarHBondContact O-N 2.92Å; W215-Q218 HydrophobicContact CE3-CB 4.3Å; W215-Q218 HydrophobicContact CZ3-CG 4.34Å; W215-Q218 WeakPolarHBondContact O-CA 3.48Å; W215-Q218 WeakPolarHBondContact O-CB 3.28Å; W215-Q218 PolarHBondContact O-N 2.88Å; Q218-R220 PolarHBondContact O-N 3.43Å; Q218-L221 PolarHBondContact O-N 3.5Å; Q218-S222 WeakPolarHBondContact O-CB 3.39Å; Q218-S222 PolarHBondContact O-N 3.5Å; Q218-S222 PolarHBondContact O-OG 3.4Å; Q218-S222 VanDerWaalsContact O-OG 3.06Å |
| 219 | V | 84 | Confident | 82.7 | Confident | 55 Ų | 55 | 98.8 Ų | 98.8 | 33% | 0.333 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.3 | -34.9 | 178.2 | 172 | 0 | 0 | 0 | 0 | 112.5 | W215 R217 L227 | W215-V219 HydrophobicContact CD2-CG2 4.1Å; W215-V219 HydrophobicContact CG-CG2 4.35Å; W215-V219 HydrophobicContact CZ2-CG2 3.91Å; W215-V219 WeakPolarHBondContact O-CG2 3.31Å; W215-V219 PolarHBondContact O-N 3.34Å; R217-V219 PolarHBondContact O-N 3.31Å; V219-L227 HydrophobicContact CB-CD2 4.44Å; V219-L227 HydrophobicContact CG1-CD1 3.94Å; V219-L227 HydrophobicContact CG2-CD2 3.91Å |
| 220 | R | 85.1 | Confident | 82.5 | Confident | 183 Ų | 183 | 101.3 Ų | 101.3 | 69% | 0.691 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -73.2 | -27.9 | 176.2 | -80.1 | -172 | -70.7 | -104.5 | 0.2 | 113.9 | A216 R217 Q218 | A216-R220 WeakPolarHBondContact O-CG 3.22Å; A216-R220 PolarHBondContact O-N 3.47Å; A216-R220 PolarHBondContact O-NE 3.14Å; R217-R220 PolarHBondContact O-N 2.9Å; Q218-R220 PolarHBondContact O-N 3.43Å |
| 221 | L | 84.4 | Confident | 82.1 | Confident | 144 Ų | 144 | 99.8 Ų | 99.8 | 75% | 0.754 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -92.2 | -23.7 | -178.3 | -65.5 | 171.8 | 0 | 0 | 0 | 112.3 | R217 Q218 | R217-L221 WeakPolarHBondContact O-CG 3.44Å; R217-L221 PolarHBondContact O-N 2.86Å; R217-L221 VanDerWaalsContact O-N 3.14Å; Q218-L221 PolarHBondContact O-N 3.5Å |
| 222 | S | 80.1 | Confident | 82.1 | Confident | 19 Ų | 19 | 99.8 Ų | 99.8 | 13% | 0.133 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -86.7 | 136.3 | -178.7 | -62.5 | 0 | 0 | 0 | 0 | 112 | Q218 | Q218-S222 WeakPolarHBondContact O-CB 3.39Å; Q218-S222 PolarHBondContact O-N 3.5Å; Q218-S222 PolarHBondContact O-OG 3.4Å; Q218-S222 VanDerWaalsContact O-OG 3.06Å |
| 223 | P | 78.8 | Confident | 82 | Confident | 78 Ų | 78 | 93.8 Ų | 93.8 | 51% | 0.506 | 46% | 0.459 | S | S | . | . | trans | -57.3 | 146.5 | 169.2 | -22.1 | 32.3 | 0 | 0 | 0 | 111.6 | E225 T226 | P223-E225 PolarHBondContact O-N 2.94Å; P223-E225 VanDerWaalsContact O-N 3.12Å; P223-T226 PolarHBondContact O-N 2.62Å; P223-T226 PolarHBondContact O-OG1 2.99Å | ||
| 224 | P | 74 | Confident | 81.7 | Confident | 114 Ų | 114 | 93.7 Ų | 93.7 | 74% | 0.74 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -59.6 | -27.9 | -177.4 | 21.9 | -31.7 | 0 | 0 | 0 | 113.5 | T226 L227 | P224-T226 VanDerWaalsContact C-N 3.25Å; P224-T226 PolarHBondContact O-N 2.63Å; P224-L227 PolarHBondContact O-N 2.72Å |
| 225 | E | 72.6 | Confident | 81.7 | Confident | 183 Ų | 183 | 91 Ų | 91 | 86% | 0.855 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -66.9 | -22 | 178.2 | -62.6 | -179.6 | 175.7 | 0 | 0 | 113.6 | P223 | P223-E225 PolarHBondContact O-N 2.94Å; P223-E225 VanDerWaalsContact O-N 3.12Å |
| 226 | T | 73.1 | Confident | 81.7 | Confident | 57 Ų | 57 | 91.5 Ų | 91.5 | 35% | 0.35 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -92.9 | -8.3 | -179 | 66.7 | 0 | 0 | 0 | 0 | 113.4 | P223 P224 N228 H231 | P223-T226 PolarHBondContact O-N 2.62Å; P223-T226 PolarHBondContact O-OG1 2.99Å; P224-T226 VanDerWaalsContact C-N 3.25Å; P224-T226 PolarHBondContact O-N 2.63Å; T226-N228 VanDerWaalsContact C-N 3.25Å; T226-N228 PolarHBondContact O-N 3.42Å; T226-H231 VanDerWaalsContact O-CB 3.23Å; T226-H231 WeakPolarHBondContact O-CB 3.47Å |
| 227 | L | 77 | Confident | 81.5 | Confident | 68 Ų | 68 | 95.6 Ų | 95.6 | 36% | 0.356 | 46% | 0.464 | S | S | . | . | trans | -80 | 69.9 | -178.4 | -69.9 | 171.1 | 0 | 0 | 0 | 111.6 | W215 V219 P224 | W215-L227 HydrophobicContact CH2-CD2 4.48Å; W215-L227 HydrophobicContact CZ2-CD2 4.42Å; V219-L227 HydrophobicContact CB-CD2 4.44Å; V219-L227 HydrophobicContact CG1-CD1 3.94Å; V219-L227 HydrophobicContact CG2-CD2 3.91Å; P224-L227 PolarHBondContact O-N 2.72Å | ||
| 228 | N | 81.2 | Confident | 81.4 | Confident | 85 Ų | 85 | 94.8 Ų | 94.8 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -107.9 | 168.9 | 169.7 | 69.3 | 29.7 | 0 | 0 | 0 | 111.5 | T226 R230 H231 F232 | T226-N228 VanDerWaalsContact C-N 3.25Å; T226-N228 PolarHBondContact O-N 3.42Å; N228-R230 PolarHBondContact O-N 3.31Å; N228-R230 WeakPolarHBondContact OD1-CA 3.25Å; N228-R230 WeakPolarHBondContact OD1-CB 3.15Å; N228-R230 PolarHBondContact OD1-N 3.18Å; N228-H231 PolarHBondContact O-N 2.92Å; N228-H231 PolarHBondContact OD1-N 3.17Å; N228-F232 PolarHBondContact O-N 2.8Å |
| 229 | L | 82 | Confident | 81.2 | Confident | 136 Ų | 136 | 92.8 Ų | 92.8 | 71% | 0.712 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.3 | -30.8 | 179.2 | -174.2 | 65.5 | 0 | 0 | 0 | 112.4 | F232 V233 | L229-F232 HydrophobicContact CD1-CD1 4.33Å; L229-F232 PolarHBondContact O-N 3.06Å; L229-V233 WeakPolarHBondContact O-CG2 3.42Å; L229-V233 PolarHBondContact O-N 3.26Å |
| 230 | R | 84.4 | Confident | 80.9 | Confident | 197 Ų | 197 | 93.9 Ų | 93.9 | 74% | 0.743 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.3 | -48.5 | 178.1 | -61.4 | 179.5 | -172.7 | -101.1 | 1 | 110.7 | N228 F232 V233 D234 | N228-R230 PolarHBondContact O-N 3.31Å; N228-R230 WeakPolarHBondContact OD1-CA 3.25Å; N228-R230 WeakPolarHBondContact OD1-CB 3.15Å; N228-R230 PolarHBondContact OD1-N 3.18Å; R230-F232 VanDerWaalsContact C-N 3.27Å; R230-F232 PolarHBondContact O-N 3.42Å; R230-V233 PolarHBondContact O-N 3.26Å; R230-D234 PolarHBondContact O-N 2.92Å |
| 231 | H | 80.9 | Confident | 80.6 | Confident | 47 Ų | 47 | 88.9 Ų | 88.9 | 22% | 0.218 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -59.6 | -37.9 | 176.4 | -178.6 | -110.3 | 0 | 0 | 0 | 112 | T226 N228 W235 | T226-H231 VanDerWaalsContact O-CB 3.23Å; T226-H231 WeakPolarHBondContact O-CB 3.47Å; N228-H231 PolarHBondContact O-N 2.92Å; N228-H231 PolarHBondContact OD1-N 3.17Å; H231-W235 WeakPolarHBondContact O-CB 3.33Å; H231-W235 PolarHBondContact O-N 2.63Å |
| 232 | F | 82.9 | Confident | 80.4 | Confident | 79 Ų | 79 | 86.3 Ų | 86.3 | 35% | 0.346 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 171.6 | 172.7 | -101.1 | 0 | 0 | 0 | 112.6 | W215 N228 L229 R230 W235 F236 | W215-F232 HydrophobicContact CD2-CD2 4Å; W215-F232 HydrophobicContact CD2-CE2 4.36Å; W215-F232 AromaticContact CE2-CD2 3.85Å; W215-F232 AromaticContact CE3-CD2 3.93Å; W215-F232 HydrophobicContact CE3-CD2 3.93Å; W215-F232 HydrophobicContact CE3-CE2 4.47Å; W215-F232 HydrophobicContact CH2-CB 3.62Å; W215-F232 AromaticContact CH2-CD2 3.61Å; W215-F232 HydrophobicContact CH2-CD2 3.61Å; W215-F232 HydrophobicContact CH2-CG 4.11Å; W215-F232 HydrophobicContact CZ2-CB 4.09Å; W215-F232 AromaticContact CZ2-CD2 3.67Å; W215-F232 HydrophobicContact CZ2-CD2 3.67Å; W215-F232 HydrophobicContact CZ2-CG 4.33Å; W215-F232 HydrophobicContact CZ3-CB 4.24Å; W215-F232 AromaticContact CZ3-CD2 3.73Å; W215-F232 HydrophobicContact CZ3-CD2 3.73Å; W215-F232 HydrophobicContact CZ3-CG 4.47Å; N228-F232 PolarHBondContact O-N 2.8Å; L229-F232 HydrophobicContact CD1-CD1 4.33Å; L229-F232 PolarHBondContact O-N 3.06Å; R230-F232 VanDerWaalsContact C-N 3.27Å; R230-F232 PolarHBondContact O-N 3.42Å; F232-W235 HydrophobicContact CD2-CE3 4.05Å; F232-W235 HydrophobicContact CD2-CZ3 4.22Å; F232-W235 HydrophobicContact CE2-CE3 4.09Å; F232-W235 AromaticContact CE2-CZ3 3.82Å; F232-W235 HydrophobicContact CE2-CZ3 3.82Å; F232-F236 VanDerWaalsContact O-CB 3.25Å; F232-F236 WeakPolarHBondContact O-CB 3.41Å; F232-F236 PolarHBondContact O-N 3.39Å |
| 233 | V | 85.3 | Confident | 80 | Confident | 60 Ų | 60 | 90.5 Ų | 90.5 | 36% | 0.364 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 178.8 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | L229 R230 F236 K237 | L229-V233 WeakPolarHBondContact O-CG2 3.42Å; L229-V233 PolarHBondContact O-N 3.26Å; R230-V233 PolarHBondContact O-N 3.26Å; V233-F236 PolarHBondContact O-N 2.78Å; V233-K237 HydrophobicContact CG1-CD 4.36Å; V233-K237 WeakPolarHBondContact O-CG 3.24Å; V233-K237 PolarHBondContact O-N 3.1Å |
| 234 | D | 84.5 | Confident | 79.8 | Confident | 77 Ų | 77 | 96.4 Ų | 96.4 | 41% | 0.412 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.2 | -46.1 | -179.5 | -65.7 | -27.7 | 0 | 0 | 0 | 111.2 | R230 F236 K237 E238 | R230-D234 PolarHBondContact O-N 2.92Å; D234-F236 VanDerWaalsContact C-N 3.25Å; D234-F236 PolarHBondContact O-N 2.64Å; D234-K237 WeakPolarHBondContact O-CB 3.27Å; D234-K237 PolarHBondContact O-N 3.33Å; D234-K237 VanDerWaalsContact O-N 3.15Å; D234-K237 IonicContact OD1-NZ 3.62Å; D234-E238 WeakPolarHBondContact O-CG 3.35Å; D234-E238 PolarHBondContact O-N 3.43Å |
| 235 | W | 84.6 | Confident | 79.6 | Confident | 25 Ų | 25 | 95.9 Ų | 95.9 | 10% | 0.095 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -55.1 | -42.1 | 169.8 | 168.6 | 81 | 0 | 0 | 0 | 112.1 | K214 W215 H231 F232 E238 L239 | K214-W235 HydrophobicContact CB-CZ2 4.03Å; W215-W235 HydrophobicContact CB-CH2 3.69Å; W215-W235 HydrophobicContact CB-CZ2 3.96Å; W215-W235 HydrophobicContact CB-CZ3 4.25Å; W215-W235 HydrophobicContact CD2-CE3 4.3Å; W215-W235 HydrophobicContact CD2-CH2 4.45Å; W215-W235 HydrophobicContact CD2-CZ3 4.22Å; W215-W235 AromaticContact CE3-CD2 3.41Å; W215-W235 HydrophobicContact CE3-CD2 3.41Å; W215-W235 VanDerWaalsContact CE3-CD2 3.41Å; W215-W235 AromaticContact CE3-CE2 3.78Å; W215-W235 AromaticContact CE3-CE3 3.34Å; W215-W235 HydrophobicContact CE3-CE3 3.34Å; W215-W235 AromaticContact CE3-CG 3.99Å; W215-W235 HydrophobicContact CE3-CG 3.99Å; W215-W235 HydrophobicContact CE3-CH2 4.01Å; W215-W235 HydrophobicContact CE3-CZ2 4.07Å; W215-W235 AromaticContact CE3-CZ3 3.65Å; W215-W235 HydrophobicContact CE3-CZ3 3.65Å; W215-W235 HydrophobicContact CG-CH2 4.38Å; W215-W235 HydrophobicContact CG-CZ3 4.49Å; W215-W235 HydrophobicContact CZ3-CB 4.02Å; W215-W235 AromaticContact CZ3-CD2 3.69Å; W215-W235 HydrophobicContact CZ3-CD2 3.69Å; W215-W235 AromaticContact CZ3-CE3 3.68Å; W215-W235 HydrophobicContact CZ3-CE3 3.68Å; W215-W235 AromaticContact CZ3-CG 3.82Å; W215-W235 HydrophobicContact CZ3-CG 3.82Å; W215-W235 HydrophobicContact CZ3-CZ3 4.4Å; H231-W235 WeakPolarHBondContact O-CB 3.33Å; H231-W235 PolarHBondContact O-N 2.63Å; F232-W235 HydrophobicContact CD2-CE3 4.05Å; F232-W235 HydrophobicContact CD2-CZ3 4.22Å; F232-W235 HydrophobicContact CE2-CE3 4.09Å; F232-W235 AromaticContact CE2-CZ3 3.82Å; F232-W235 HydrophobicContact CE2-CZ3 3.82Å; W235-E238 PolarHBondContact O-N 2.92Å; W235-L239 HydrophobicContact CH2-CD2 3.86Å; W235-L239 HydrophobicContact CZ2-CD2 3.89Å; W235-L239 HydrophobicContact CZ3-CD2 4.48Å; W235-L239 WeakPolarHBondContact O-CB 3.47Å; W235-L239 PolarHBondContact O-N 3.49Å |
| 236 | F | 83.5 | Confident | 79.5 | Confident | 77 Ų | 77 | 91.8 Ų | 91.8 | 34% | 0.338 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 179.7 | -172.9 | -100.3 | 0 | 0 | 0 | 111.8 | F232 V233 D234 L239 V240 | F232-F236 VanDerWaalsContact O-CB 3.25Å; F232-F236 WeakPolarHBondContact O-CB 3.41Å; F232-F236 PolarHBondContact O-N 3.39Å; V233-F236 PolarHBondContact O-N 2.78Å; D234-F236 VanDerWaalsContact C-N 3.25Å; D234-F236 PolarHBondContact O-N 2.64Å; F236-L239 PolarHBondContact O-N 3.37Å; F236-V240 HydrophobicContact CD1-CG2 4.34Å; F236-V240 HydrophobicContact CE1-CG2 4Å; F236-V240 HydrophobicContact CZ-CG2 4.22Å; F236-V240 WeakPolarHBondContact O-CG2 3.47Å; F236-V240 PolarHBondContact O-N 3.46Å |
| 237 | K | 83.6 | Confident | 78.9 | Confident | 119 Ų | 119 | 92.6 Ų | 92.6 | 52% | 0.517 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 173.3 | -73.8 | 170.7 | -177.9 | 167.9 | 0 | 111.6 | V233 D234 L239 V240 T241 | V233-K237 HydrophobicContact CG1-CD 4.36Å; V233-K237 WeakPolarHBondContact O-CG 3.24Å; V233-K237 PolarHBondContact O-N 3.1Å; D234-K237 WeakPolarHBondContact O-CB 3.27Å; D234-K237 PolarHBondContact O-N 3.33Å; D234-K237 VanDerWaalsContact O-N 3.15Å; D234-K237 IonicContact OD1-NZ 3.62Å; K237-L239 VanDerWaalsContact C-N 3.34Å; K237-L239 PolarHBondContact O-N 2.89Å; K237-V240 PolarHBondContact O-N 3.16Å; K237-T241 WeakPolarHBondContact O-CB 3.4Å; K237-T241 PolarHBondContact O-N 3.38Å; K237-T241 PolarHBondContact O-OG1 3.33Å |
| 238 | E | 83.4 | Confident | 78 | Confident | 132 Ų | 132 | 91.3 Ų | 91.3 | 62% | 0.617 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -59.8 | -45.4 | 176.5 | -74.2 | 177.5 | -179.2 | 0 | 0 | 111 | D234 W235 V240 T241 E242 | D234-E238 WeakPolarHBondContact O-CG 3.35Å; D234-E238 PolarHBondContact O-N 3.43Å; W235-E238 PolarHBondContact O-N 2.92Å; E238-V240 VanDerWaalsContact C-N 3.35Å; E238-V240 PolarHBondContact O-N 3.36Å; E238-T241 PolarHBondContact O-N 3.05Å; E238-T241 VanDerWaalsContact O-N 3.15Å; E238-E242 WeakPolarHBondContact O-CB 3.38Å; E238-E242 PolarHBondContact O-N 3.46Å |
| 239 | L | 79.2 | Confident | 76.8 | Confident | 14 Ų | 14 | 93.4 Ų | 93.4 | 7% | 0.073 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 178.7 | -171.8 | 74.2 | 0 | 0 | 0 | 112.7 | R211 K214 W235 F236 K237 K243 | R211-L239 HydrophobicContact CG-CD2 4.38Å; K214-L239 HydrophobicContact CD-CD1 3.51Å; W235-L239 HydrophobicContact CH2-CD2 3.86Å; W235-L239 HydrophobicContact CZ2-CD2 3.89Å; W235-L239 HydrophobicContact CZ3-CD2 4.48Å; W235-L239 WeakPolarHBondContact O-CB 3.47Å; W235-L239 PolarHBondContact O-N 3.49Å; F236-L239 PolarHBondContact O-N 3.37Å; K237-L239 VanDerWaalsContact C-N 3.34Å; K237-L239 PolarHBondContact O-N 2.89Å; L239-K243 PolarHBondContact O-N 2.87Å |
| 240 | V | 79.2 | Confident | 75.5 | Confident | 78 Ų | 78 | 90.7 Ų | 90.7 | 47% | 0.473 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 175.6 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | F236 K237 E238 R244 | F236-V240 HydrophobicContact CD1-CG2 4.34Å; F236-V240 HydrophobicContact CE1-CG2 4Å; F236-V240 HydrophobicContact CZ-CG2 4.22Å; F236-V240 WeakPolarHBondContact O-CG2 3.47Å; F236-V240 PolarHBondContact O-N 3.46Å; K237-V240 PolarHBondContact O-N 3.16Å; E238-V240 VanDerWaalsContact C-N 3.35Å; E238-V240 PolarHBondContact O-N 3.36Å; V240-R244 PolarHBondContact O-N 2.99Å; V240-R244 VanDerWaalsContact O-N 3.09Å |
| 241 | T | 78.2 | Confident | 74 | Confident | 77 Ų | 77 | 82.6 Ų | 82.6 | 47% | 0.472 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.2 | -45.9 | -179.3 | -52.6 | 0 | 0 | 0 | 0 | 111.6 | K237 E238 K243 R244 L245 | K237-T241 WeakPolarHBondContact O-CB 3.4Å; K237-T241 PolarHBondContact O-N 3.38Å; K237-T241 PolarHBondContact O-OG1 3.33Å; E238-T241 PolarHBondContact O-N 3.05Å; E238-T241 VanDerWaalsContact O-N 3.15Å; T241-K243 VanDerWaalsContact C-N 3.3Å; T241-K243 PolarHBondContact O-N 2.84Å; T241-R244 WeakPolarHBondContact O-CB 3.34Å; T241-R244 PolarHBondContact O-N 3.31Å; T241-R244 VanDerWaalsContact O-N 3.08Å; T241-L245 HydrophobicContact CG2-CD1 4.3Å; T241-L245 WeakPolarHBondContact O-CG 3.5Å; T241-L245 PolarHBondContact O-N 2.87Å |
| 242 | E | 79.4 | Confident | 72.6 | Confident | 91 Ų | 91 | 86.8 Ų | 86.8 | 43% | 0.425 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -53.7 | -47.8 | 175.1 | -173.5 | -163.2 | -177.6 | 0 | 0 | 110.5 | K214 E238 R244 L245 L246 | K214-E242 IonicContact NZ-OE2 2.69Å; E238-E242 WeakPolarHBondContact O-CB 3.38Å; E238-E242 PolarHBondContact O-N 3.46Å; E242-R244 PolarHBondContact O-N 2.95Å; E242-L245 PolarHBondContact O-N 3.38Å; E242-L246 HydrophobicContact CG-CD1 4.09Å; E242-L246 WeakPolarHBondContact O-CB 3.2Å; E242-L246 VanDerWaalsContact O-CG 3.29Å; E242-L246 WeakPolarHBondContact O-CG 3.36Å; E242-L246 PolarHBondContact O-N 3.09Å |
| 243 | K | 72.6 | Confident | 71.1 | Confident | 107 Ų | 107 | 89.3 Ų | 89.3 | 47% | 0.465 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 177.5 | -80 | -163.4 | 171.1 | -145.5 | 0 | 113.1 | L239 T241 L245 L246 S247 | L239-K243 PolarHBondContact O-N 2.87Å; T241-K243 VanDerWaalsContact C-N 3.3Å; T241-K243 PolarHBondContact O-N 2.84Å; K243-L245 VanDerWaalsContact C-N 3.34Å; K243-L246 PolarHBondContact O-N 3.06Å; K243-S247 WeakPolarHBondContact O-CB 3.33Å; K243-S247 PolarHBondContact O-N 3.21Å; K243-S247 PolarHBondContact O-OG 3.37Å; K243-S247 VanDerWaalsContact O-OG 3.1Å |
| 244 | R | 73.4 | Confident | 69.2 | Low | 202 Ų | 202 | 93.1 Ų | 93.1 | 76% | 0.762 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.8 | -40.6 | 178.6 | -161 | 175.6 | -162.9 | 173.4 | 3.9 | 111.3 | V240 T241 E242 S247 G248 | V240-R244 PolarHBondContact O-N 2.99Å; V240-R244 VanDerWaalsContact O-N 3.09Å; T241-R244 WeakPolarHBondContact O-CB 3.34Å; T241-R244 PolarHBondContact O-N 3.31Å; T241-R244 VanDerWaalsContact O-N 3.08Å; E242-R244 PolarHBondContact O-N 2.95Å; R244-S247 WeakPolarHBondContact CA-OG 3.35Å; R244-S247 PolarHBondContact O-OG 3.33Å; R244-G248 PolarHBondContact O-N 2.93Å; R244-G248 VanDerWaalsContact O-N 3.12Å |
| 245 | L | 71 | Confident | 67.6 | Low | 103 Ų | 103 | 94.8 Ų | 94.8 | 54% | 0.539 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.4 | -48.7 | 175.1 | -68.3 | 172.6 | 0 | 0 | 0 | 111.3 | T241 E242 K243 S247 G248 F249 | T241-L245 HydrophobicContact CG2-CD1 4.3Å; T241-L245 WeakPolarHBondContact O-CG 3.5Å; T241-L245 PolarHBondContact O-N 2.87Å; E242-L245 PolarHBondContact O-N 3.38Å; K243-L245 VanDerWaalsContact C-N 3.34Å; L245-S247 VanDerWaalsContact C-N 3.31Å; L245-S247 PolarHBondContact O-N 3.23Å; L245-G248 WeakPolarHBondContact O-CA 3.25Å; L245-G248 PolarHBondContact O-N 3.05Å; L245-F249 HydrophobicContact CB-CE2 4.35Å; L245-F249 WeakPolarHBondContact O-CD2 3.33Å; L245-F249 PolarHBondContact O-N 3.12Å |
| 246 | L | 69.8 | Low | 66 | Low | 97 Ų | 97 | 96.7 Ų | 96.7 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -36.1 | 178.5 | -68.7 | 173 | 0 | 0 | 0 | 112.8 | E242 K243 G248 F249 T250 | E242-L246 HydrophobicContact CG-CD1 4.09Å; E242-L246 WeakPolarHBondContact O-CB 3.2Å; E242-L246 VanDerWaalsContact O-CG 3.29Å; E242-L246 WeakPolarHBondContact O-CG 3.36Å; E242-L246 PolarHBondContact O-N 3.09Å; K243-L246 PolarHBondContact O-N 3.06Å; L246-G248 VanDerWaalsContact C-N 3.3Å; L246-F249 PolarHBondContact O-N 2.9Å; L246-T250 PolarHBondContact O-N 3.29Å; L246-T250 VanDerWaalsContact O-N 3.07Å; L246-T250 PolarHBondContact O-OG1 3.03Å |
| 247 | S | 61.1 | Low | 64.4 | Low | 74 Ų | 74 | 99.1 Ų | 99.1 | 52% | 0.517 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.2 | -30.1 | 171.8 | 57.5 | 0 | 0 | 0 | 0 | 113.1 | K243 R244 L245 T250 G251 | K243-S247 WeakPolarHBondContact O-CB 3.33Å; K243-S247 PolarHBondContact O-N 3.21Å; K243-S247 PolarHBondContact O-OG 3.37Å; K243-S247 VanDerWaalsContact O-OG 3.1Å; R244-S247 WeakPolarHBondContact CA-OG 3.35Å; R244-S247 PolarHBondContact O-OG 3.33Å; L245-S247 VanDerWaalsContact C-N 3.31Å; L245-S247 PolarHBondContact O-N 3.23Å; S247-T250 WeakPolarHBondContact CA-OG1 3.23Å; S247-T250 PolarHBondContact O-OG1 3.21Å; S247-G251 PolarHBondContact O-N 3.5Å |
| 248 | G | 58.1 | Low | 62.7 | Low | 41 Ų | 41 | 97.4 Ų | 97.4 | 42% | 0.423 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.7 | -44.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | R244 L245 L246 G251 Q252 | R244-G248 PolarHBondContact O-N 2.93Å; R244-G248 VanDerWaalsContact O-N 3.12Å; L245-G248 WeakPolarHBondContact O-CA 3.25Å; L245-G248 PolarHBondContact O-N 3.05Å; L246-G248 VanDerWaalsContact C-N 3.3Å; G248-G251 PolarHBondContact O-N 3Å; G248-Q252 WeakPolarHBondContact O-CB 3.44Å; G248-Q252 PolarHBondContact O-N 3.19Å |
| 249 | F | 56.1 | Low | 61.2 | Low | 128 Ų | 128 | 96.6 Ų | 96.6 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.7 | -42.1 | 178.5 | -74.8 | -69.6 | 0 | 0 | 0 | 112.6 | L245 L246 G251 Q252 E253 | L245-F249 HydrophobicContact CB-CE2 4.35Å; L245-F249 WeakPolarHBondContact O-CD2 3.33Å; L245-F249 PolarHBondContact O-N 3.12Å; L246-F249 PolarHBondContact O-N 2.9Å; F249-G251 VanDerWaalsContact C-N 3.34Å; F249-G251 PolarHBondContact O-N 3.32Å; F249-Q252 PolarHBondContact O-N 2.91Å; F249-Q252 VanDerWaalsContact O-N 3.16Å; F249-E253 PolarHBondContact O-N 3.27Å |
| 250 | T | 55.3 | Low | 59.4 | Low | 79 Ų | 79 | 99.3 Ų | 99.3 | 49% | 0.485 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66 | -34.3 | 177 | 44.3 | 0 | 0 | 0 | 0 | 112.8 | L246 S247 Q254 | L246-T250 PolarHBondContact O-N 3.29Å; L246-T250 VanDerWaalsContact O-N 3.07Å; L246-T250 PolarHBondContact O-OG1 3.03Å; S247-T250 WeakPolarHBondContact CA-OG1 3.23Å; S247-T250 PolarHBondContact O-OG1 3.21Å; T250-Q254 WeakPolarHBondContact O-CG 3.37Å; T250-Q254 PolarHBondContact O-N 3.3Å |
| 251 | G | 52.5 | Low | 57.6 | Low | 28 Ų | 28 | 100.9 Ų | 100.9 | 29% | 0.289 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.6 | -35.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S247 G248 F249 N255 | S247-G251 PolarHBondContact O-N 3.5Å; G248-G251 PolarHBondContact O-N 3Å; F249-G251 VanDerWaalsContact C-N 3.34Å; F249-G251 PolarHBondContact O-N 3.32Å; G251-N255 WeakPolarHBondContact O-CB 3.41Å; G251-N255 PolarHBondContact O-N 3.39Å; G251-N255 VanDerWaalsContact O-N 3.11Å; G251-N255 PolarHBondContact O-ND2 2.92Å |
| 252 | Q | 50.8 | Low | 55.7 | Low | 135 Ų | 135 | 104 Ų | 104 | 63% | 0.631 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -75.1 | -35.6 | -179.8 | -152.2 | 176.5 | -9.5 | 0 | 0 | 112.4 | G248 F249 A256 | G248-Q252 WeakPolarHBondContact O-CB 3.44Å; G248-Q252 PolarHBondContact O-N 3.19Å; F249-Q252 PolarHBondContact O-N 2.91Å; F249-Q252 VanDerWaalsContact O-N 3.16Å; Q252-A256 WeakPolarHBondContact O-CB 3.4Å; Q252-A256 PolarHBondContact O-N 3.47Å |
| 253 | E | 51.1 | Low | 53.8 | Low | 131 Ų | 131 | 102.5 Ų | 102.5 | 61% | 0.612 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.5 | -41.8 | 174.6 | -131.5 | -175.7 | 157.3 | 0 | 0 | 111.8 | F249 N255 A256 I257 | F249-E253 PolarHBondContact O-N 3.27Å; E253-N255 PolarHBondContact O-N 3.25Å; E253-A256 PolarHBondContact O-N 2.89Å; E253-I257 VanDerWaalsContact O-CG1 3.29Å; E253-I257 WeakPolarHBondContact O-CG1 3.33Å; E253-I257 PolarHBondContact O-N 2.84Å |
| 254 | Q | 46.9 | Very low | 52 | Low | 141 Ų | 141 | 109 Ų | 109 | 66% | 0.659 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.4 | -38 | 175.3 | -75.2 | -177.4 | -12.7 | 0 | 0 | 112.3 | T250 I257 A258 | T250-Q254 WeakPolarHBondContact O-CG 3.37Å; T250-Q254 PolarHBondContact O-N 3.3Å; Q254-I257 PolarHBondContact O-N 2.82Å; Q254-A258 WeakPolarHBondContact O-CB 3.43Å; Q254-A258 PolarHBondContact O-N 3.03Å |
| 255 | N | 50 | Low | 50.3 | Low | 112 Ų | 112 | 111.1 Ų | 111.1 | 60% | 0.599 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69 | -33.9 | 175.5 | -73.2 | -25.1 | 0 | 0 | 0 | 112.6 | G251 E253 T259 | G251-N255 WeakPolarHBondContact O-CB 3.41Å; G251-N255 PolarHBondContact O-N 3.39Å; G251-N255 VanDerWaalsContact O-N 3.11Å; G251-N255 PolarHBondContact O-ND2 2.92Å; E253-N255 PolarHBondContact O-N 3.25Å; N255-T259 PolarHBondContact O-N 3.05Å; N255-T259 PolarHBondContact O-OG1 2.99Å |
| 256 | A | 50.6 | Low | 48.6 | Very low | 65 Ų | 65 | 118.6 Ų | 118.6 | 54% | 0.537 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -71 | -31.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q252 E253 | Q252-A256 WeakPolarHBondContact O-CB 3.4Å; Q252-A256 PolarHBondContact O-N 3.47Å; E253-A256 PolarHBondContact O-N 2.89Å |
| 257 | I | 49.6 | Very low | 46.9 | Very low | 127 Ų | 127 | 117 Ų | 117 | 65% | 0.651 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -77.1 | -33.8 | 175.8 | -64.9 | 164.8 | 0 | 0 | 0 | 111.1 | E253 Q254 | E253-I257 VanDerWaalsContact O-CG1 3.29Å; E253-I257 WeakPolarHBondContact O-CG1 3.33Å; E253-I257 PolarHBondContact O-N 2.84Å; Q254-I257 PolarHBondContact O-N 2.82Å |
| 258 | A | 49.5 | Very low | 45.5 | Very low | 84 Ų | 84 | 120.2 Ų | 120.2 | 69% | 0.694 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -76.9 | -16.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q254 | Q254-A258 WeakPolarHBondContact O-CB 3.43Å; Q254-A258 PolarHBondContact O-N 3.03Å |
| 259 | T | 50.1 | Low | 44.2 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 2.5 | -179.3 | 36.2 | 0 | 0 | 0 | 0 | 114.4 | N255 | N255-T259 PolarHBondContact O-N 3.05Å; N255-T259 PolarHBondContact O-OG1 2.99Å |
| 260 | A | 41.7 | Very low | 43 | Very low | 71 Ų | 71 | 128.6 Ų | 128.6 | 59% | 0.587 | 70% | 0.7 | S | S | * | * | trans | -74 | 123.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 261 | P | 41.9 | Very low | 41.7 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 71% | 0.714 | 72% | 0.719 | S | S | * | * | trans | -70 | 153.1 | -178.2 | 28.5 | -32.3 | 0 | 0 | 0 | 111.2 | G263 | P261-G263 VanDerWaalsContact C-N 3.28Å; P261-G263 PolarHBondContact O-N 3.3Å | ||
| 262 | P | 39.1 | Very low | 40.7 | Very low | 143 Ų | 143 | 138 Ų | 138 | 93% | 0.929 | 74% | 0.741 | S | S | * | * | trans | -74.5 | 83.8 | -179.1 | 31.3 | -32.2 | 0 | 0 | 0 | 109 | ||||
| 263 | G | 38.8 | Very low | 39.7 | Very low | 60 Ų | 60 | 137.8 Ų | 137.8 | 62% | 0.619 | 75% | 0.749 | S | S | * | * | trans | -138.1 | 83.7 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P261 | P261-G263 VanDerWaalsContact C-N 3.28Å; P261-G263 PolarHBondContact O-N 3.3Å | ||
| 264 | R | 34.6 | Very low | 38.6 | Very low | 243 Ų | 243 | 138.1 Ų | 138.1 | 92% | 0.917 | 75% | 0.751 | S | S | * | * | trans | 47.6 | 91.9 | 139.7 | -156.2 | -177.9 | -152.6 | -176.6 | 6 | 116.3 | ||||
| 265 | R | 38.8 | Very low | 37.8 | Very low | 246 Ų | 246 | 137 Ų | 137 | 93% | 0.928 | 76% | 0.758 | S | S | * | * | trans | -154.6 | 96.4 | 144.5 | -111.3 | 169.4 | -158.3 | -159 | 5.4 | 112.1 | G267 | R265-G267 PolarHBondContact O-N 3.01Š| ||
| 266 | R | 34.2 | Very low | 37 | Very low | 261 Ų | 261 | 139.3 Ų | 139.3 | 99% | 0.985 | 76% | 0.763 | S | S | * | * | trans | -54.2 | 118.6 | 146.8 | -85.1 | 177.8 | 177.4 | 174.9 | -1.4 | 107 | ||||
| 267 | G | 34.1 | Very low | 35.9 | Very low | 62 Ų | 62 | 140 Ų | 140 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | trans | -164.2 | 96.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | R265 L269 | R265-G267 PolarHBondContact O-N 3.01Å; G267-L269 PolarHBondContact O-N 3.14Å | ||
| 268 | V | 31.4 | Very low | 35 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -51.3 | 105.4 | 173.8 | 172.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 269 | L | 31 | Very low | 34 | Very low | 168 Ų | 168 | 147.3 Ų | 147.3 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | trans | -96.4 | 102.3 | 165.2 | -132.7 | 92.5 | 0 | 0 | 0 | 107.5 | G267 M271 | G267-L269 PolarHBondContact O-N 3.14Å; L269-M271 PolarHBondContact O-N 3.06Å | ||
| 270 | K | 30.9 | Very low | 33 | Very low | 177 Ų | 177 | 147.6 Ų | 147.6 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -45.7 | 124.3 | 166 | -91.8 | 173.1 | 167.9 | 175.4 | 0 | 108.9 | V272 | K270-V272 VanDerWaalsContact C-N 3.32Å; K270-V272 PolarHBondContact O-N 2.89Å | ||
| 271 | M | 28.4 | Very low | 32.4 | Very low | 183 Ų | 183 | 148.4 Ų | 148.4 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | trans | -57.5 | 98.6 | 159.8 | -85.1 | -178.5 | 162 | 0 | 0 | 107.9 | L269 T273 | L269-M271 PolarHBondContact O-N 3.06Å; M271-T273 PolarHBondContact O-N 3.09Å | ||
| 272 | V | 30.8 | Very low | 31.8 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 75% | 0.745 | 80% | 0.803 | S | S | * | * | trans | -80.8 | 98.4 | 161.6 | 175.5 | 0 | 0 | 0 | 0 | 105.7 | K270 E274 | K270-V272 VanDerWaalsContact C-N 3.32Å; K270-V272 PolarHBondContact O-N 2.89Å; V272-E274 VanDerWaalsContact C-N 3.31Å; V272-E274 PolarHBondContact O-N 3.26Å | ||
| 273 | T | 30 | Very low | 31.6 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | trans | -62.8 | 90.7 | 163.3 | 40.6 | 0 | 0 | 0 | 0 | 108.4 | M271 S275 | M271-T273 PolarHBondContact O-N 3.09Å; T273-S275 PolarHBondContact O-N 3.33Å | ||
| 274 | E | 29.1 | Very low | 31.4 | Very low | 138 Ų | 138 | 148 Ų | 148 | 65% | 0.645 | 80% | 0.796 | S | S | * | * | trans | -88.4 | 99.5 | 166.8 | -148.3 | -172.8 | 162.3 | 0 | 0 | 108.3 | V272 K276 | V272-E274 VanDerWaalsContact C-N 3.31Å; V272-E274 PolarHBondContact O-N 3.26Å; E274-K276 PolarHBondContact O-N 2.96Å; E274-K276 WeakPolarHBondContact OE1-CE 3.48Å; E274-K276 IonicContact OE1-NZ 2.95Å; E274-K276 PolarHBondContact OE1-NZ 3.15Å; E274-K276 IonicContact OE2-NZ 3.98Å | ||
| 275 | S | 28.5 | Very low | 31.5 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -66.5 | 90.4 | 171.4 | 57.1 | 0 | 0 | 0 | 0 | 110 | T273 | T273-S275 PolarHBondContact O-N 3.33Š| ||
| 276 | K | 33.5 | Very low | 32 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | trans | -103 | 97.3 | 161.2 | -78.9 | 179.8 | -179.8 | 154.4 | 0 | 108.6 | E274 V278 | E274-K276 PolarHBondContact O-N 2.96Å; E274-K276 WeakPolarHBondContact OE1-CE 3.48Å; E274-K276 IonicContact OE1-NZ 2.95Å; E274-K276 PolarHBondContact OE1-NZ 3.15Å; E274-K276 IonicContact OE2-NZ 3.98Å; K276-V278 PolarHBondContact O-N 3.04Å; K276-V278 VanDerWaalsContact O-N 3.12Å | ||
| 277 | G | 28 | Very low | 33.1 | Very low | 80 Ų | 80 | 132.4 Ų | 132.4 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | -58.2 | 109.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 278 | V | 29.9 | Very low | 34.7 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | -95.9 | 101.7 | 159.6 | 179.1 | 0 | 0 | 0 | 0 | 105.4 | K276 | K276-V278 PolarHBondContact O-N 3.04Å; K276-V278 VanDerWaalsContact O-N 3.12Å | ||
| 279 | R | 29.6 | Very low | 36.7 | Very low | 230 Ų | 230 | 128 Ų | 128 | 87% | 0.868 | 71% | 0.714 | S | S | * | * | trans | -51.4 | 129.5 | 170.6 | -75.5 | -178.5 | -174.4 | -170.8 | 1.3 | 108.1 | A281 | R279-A281 PolarHBondContact O-N 3.39Š| ||
| 280 | P | 28.8 | Very low | 38.8 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 79% | 0.786 | 69% | 0.694 | S | S | * | * | trans | -68.1 | 110.2 | 162.1 | 29.7 | -27.5 | 0 | 0 | 0 | 105.2 | A282 | P280-A282 PolarHBondContact O-N 2.76Š| ||
| 281 | A | 29.6 | Very low | 40.9 | Very low | 88 Ų | 88 | 117.1 Ų | 117.1 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | trans | -63.3 | 95.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | R279 V283 | R279-A281 PolarHBondContact O-N 3.39Å; A281-V283 VanDerWaalsContact C-N 3.32Å; A281-V283 PolarHBondContact O-N 3.48Å | ||
| 282 | A | 29.5 | Very low | 43.4 | Very low | 86 Ų | 86 | 111 Ų | 111 | 71% | 0.711 | 64% | 0.641 | S | S | * | * | trans | -58.3 | 99.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | P280 S284 | P280-A282 PolarHBondContact O-N 2.76Å; A282-S284 VanDerWaalsContact C-N 3.27Å; A282-S284 PolarHBondContact O-N 3.41Å | ||
| 283 | V | 33.6 | Very low | 45.5 | Very low | 132 Ų | 132 | 110.9 Ų | 110.9 | 80% | 0.8 | 64% | 0.636 | S | S | * | * | trans | -73.9 | 91.4 | 171.2 | 179.5 | 0 | 0 | 0 | 0 | 106.1 | A281 P285 | A281-V283 VanDerWaalsContact C-N 3.32Å; A281-V283 PolarHBondContact O-N 3.48Å; V283-P285 WeakPolarHBondContact O-CD 3.44Å | ||
| 284 | S | 34.3 | Very low | 47.7 | Very low | 88 Ų | 88 | 106.5 Ų | 106.5 | 62% | 0.615 | 61% | 0.614 | S | S | * | * | trans | -53.9 | 121.2 | 169.4 | -63.5 | 0 | 0 | 0 | 0 | 109.4 | A282 L286 | A282-S284 VanDerWaalsContact C-N 3.27Å; A282-S284 PolarHBondContact O-N 3.41Å; S284-L286 VanDerWaalsContact C-N 3.25Å; S284-L286 PolarHBondContact O-N 2.9Å; S284-L286 VanDerWaalsContact O-N 3.1Å | ||
| 285 | P | 37.7 | Very low | 49.7 | Very low | 127 Ų | 127 | 103.3 Ų | 103.3 | 83% | 0.825 | 60% | 0.601 | S | S | * | * | trans | -86.6 | 71.7 | 172.5 | 34.9 | -29.5 | 0 | 0 | 0 | 108.2 | V283 | V283-P285 WeakPolarHBondContact O-CD 3.44Š| ||
| 286 | L | 48.4 | Very low | 51.5 | Low | 85 Ų | 85 | 106.1 Ų | 106.1 | 45% | 0.445 | 60% | 0.599 | S | S | . | * | trans | -109.5 | 93.9 | 169.5 | -85.7 | 156.3 | 0 | 0 | 0 | 107.8 | S284 Q288 D295 F296 | S284-L286 VanDerWaalsContact C-N 3.25Å; S284-L286 PolarHBondContact O-N 2.9Å; S284-L286 VanDerWaalsContact O-N 3.1Å; L286-Q288 PolarHBondContact O-N 3.38Å; L286-Q288 VanDerWaalsContact O-N 3.09Å; L286-D295 HydrophobicContact CD2-CB 4.19Å; L286-F296 HydrophobicContact CD2-CD1 3.76Å; L286-F296 HydrophobicContact CD2-CE1 3.64Å; L286-F296 HydrophobicContact CD2-CE2 4.47Å; L286-F296 HydrophobicContact CD2-CG 4.24Å; L286-F296 HydrophobicContact CD2-CZ 4.01Å | ||
| 287 | R | 57.9 | Low | 53.4 | Low | 210 Ų | 210 | 100.7 Ų | 100.7 | 79% | 0.792 | 58% | 0.576 | S | S | * | * | trans | -67.5 | 100.6 | 167.2 | -74.1 | -173.7 | 176 | -148.3 | -1.9 | 107 | ||||
| 288 | Q | 68.1 | Low | 55.5 | Low | 111 Ų | 111 | 97.8 Ų | 97.8 | 52% | 0.519 | 55% | 0.546 | S | S | . | . | trans | -61.2 | 136.3 | 159.4 | -83.9 | 174 | -40 | 0 | 0 | 108.8 | L286 I290 D295 | L286-Q288 PolarHBondContact O-N 3.38Å; L286-Q288 VanDerWaalsContact O-N 3.09Å; Q288-I290 PolarHBondContact O-N 2.91Å; Q288-D295 WeakPolarHBondContact CG-OD1 3.49Å | ||
| 289 | C | 72.7 | Confident | 57.8 | Low | 1 Ų | 1 | 93.7 Ų | 93.7 | 1% | 0.007 | 52% | 0.519 | C | S | . | . | trans | -75.6 | 114.6 | 175.9 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | A291 C292 D293 A294 H297 C302 | C289-A291 PolarHBondContact O-N 3.15Å; C289-C292 PolarHBondContact O-N 2.84Å; C289-C292 VanDerWaalsContact O-N 3.12Å; C289-D293 WeakPolarHBondContact O-CA 3.42Å; C289-D293 PolarHBondContact O-N 2.92Å; C289-A294 PolarHBondContact N-O 3.1Å; C289-H297 PolarHBondContact SG-NE2 2.94Å; C289-C302 WeakPolarHBondContact SG-CB 3.5Å; C289-C302 VanDerWaalsContact SG-SG 3.61Å | ||
| 290 | I | 75 | Confident | 59.9 | Low | 93 Ų | 93 | 88.4 Ų | 88.4 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -25.4 | 177.7 | -67 | 168.9 | 0 | 0 | 0 | 112.9 | Q288 V316 | Q288-I290 PolarHBondContact O-N 2.91Å; I290-V316 HydrophobicContact CG2-CG1 3.83Å |
| 291 | A | 76 | Confident | 62.1 | Low | 22 Ų | 22 | 85.9 Ų | 85.9 | 18% | 0.182 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -25 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | C289 F305 V316 | C289-A291 PolarHBondContact O-N 3.15Å; A291-F305 HydrophobicContact CB-CB 3.85Å; A291-F305 HydrophobicContact CB-CD2 4.04Å; A291-F305 HydrophobicContact CB-CG 4.37Å; A291-V316 HydrophobicContact CB-CG1 4.16Å |
| 292 | C | 79.5 | Confident | 64.6 | Low | 56 Ų | 56 | 81.7 Ų | 81.7 | 38% | 0.378 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143 | 7.2 | -174.2 | 72.5 | 0 | 0 | 0 | 0 | 114.7 | C289 A294 H297 C302 A304 | C289-C292 PolarHBondContact O-N 2.84Å; C289-C292 VanDerWaalsContact O-N 3.12Å; C292-A294 PolarHBondContact O-N 2.77Å; C292-A294 VanDerWaalsContact SG-CB 3.6Å; C292-H297 PolarHBondContact SG-CE1 3.26Å; C292-H297 PolarHBondContact SG-NE2 3.35Å; C292-C302 VanDerWaalsContact SG-SG 3.63Å; C292-A304 HydrophobicContact CB-CB 4.44Å |
| 293 | D | 75.8 | Confident | 67.1 | Low | 119 Ų | 119 | 82.4 Ų | 82.4 | 64% | 0.636 | 46% | 0.46 | S | S | * | . | trans | 53.8 | 17.7 | 179.5 | -150.5 | 26.7 | 0 | 0 | 0 | 115.4 | C289 | C289-D293 WeakPolarHBondContact O-CA 3.42Å; C289-D293 PolarHBondContact O-N 2.92Å | ||
| 294 | A | 75.2 | Confident | 69.3 | Low | 39 Ų | 39 | 78.4 Ų | 78.4 | 32% | 0.322 | 44% | 0.441 | S | S | . | . | trans | -88.6 | 142.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | C289 C292 | C289-A294 PolarHBondContact N-O 3.1Å; C292-A294 PolarHBondContact O-N 2.77Å; C292-A294 VanDerWaalsContact SG-CB 3.6Å | ||
| 295 | D | 70.8 | Confident | 71.7 | Confident | 71 Ų | 71 | 75.2 Ų | 75.2 | 38% | 0.38 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 162.8 | 171.9 | -68.6 | -40.5 | 0 | 0 | 0 | 111.2 | L286 Q288 H297 | L286-D295 HydrophobicContact CD2-CB 4.19Å; Q288-D295 WeakPolarHBondContact CG-OD1 3.49Å; D295-H297 PolarHBondContact O-N 3.25Å |
| 296 | F | 68 | Low | 73.9 | Confident | 176 Ų | 176 | 74 Ų | 74 | 77% | 0.772 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | 5 | 168.7 | -50 | -82 | 0 | 0 | 0 | 118.7 | L286 | L286-F296 HydrophobicContact CD2-CD1 3.76Å; L286-F296 HydrophobicContact CD2-CE1 3.64Å; L286-F296 HydrophobicContact CD2-CE2 4.47Å; L286-F296 HydrophobicContact CD2-CG 4.24Å; L286-F296 HydrophobicContact CD2-CZ 4.01Å |
| 297 | H | 71.9 | Confident | 75.5 | Confident | 46 Ų | 46 | 73.3 Ų | 73.3 | 21% | 0.213 | 42% | 0.415 | C | S | . | . | trans | -148.2 | 153.9 | 172.3 | 71.6 | -86.4 | 0 | 0 | 0 | 114 | C289 C292 D295 C302 | C289-H297 PolarHBondContact SG-NE2 2.94Å; C292-H297 PolarHBondContact SG-CE1 3.26Å; C292-H297 PolarHBondContact SG-NE2 3.35Å; D295-H297 PolarHBondContact O-N 3.25Å; H297-C302 WeakPolarHBondContact NE2-CB 3.43Å; H297-C302 PolarHBondContact NE2-SG 3.45Å; H297-C302 VanDerWaalsContact NE2-SG 3.44Å | ||
| 298 | G | 72.4 | Confident | 76.9 | Confident | 19 Ų | 19 | 65.6 Ų | 65.6 | 20% | 0.196 | 39% | 0.389 | C | S | . | . | trans | -87.4 | 164.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T300 S301 C302 | G298-T300 PolarHBondContact O-N 2.95Å; G298-S301 PolarHBondContact N-OG 3.36Å; G298-S301 PolarHBondContact O-N 3.35Å; G298-S301 PolarHBondContact O-OG 2.95Å; G298-C302 PolarHBondContact O-N 3.08Å | ||
| 299 | I | 78.3 | Confident | 77.8 | Confident | 47 Ų | 47 | 64.6 Ų | 64.6 | 24% | 0.241 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -52.7 | -32.1 | 177.4 | -166 | 169.2 | 0 | 0 | 0 | 113.4 | S301 C302 F305 V316 I317 | I299-S301 VanDerWaalsContact C-N 3.26Å; I299-S301 PolarHBondContact O-N 3.45Å; I299-C302 PolarHBondContact O-N 2.79Å; I299-F305 HydrophobicContact CD1-CD2 3.92Å; I299-F305 HydrophobicContact CD1-CE1 4.47Å; I299-F305 HydrophobicContact CD1-CE2 3.65Å; I299-F305 HydrophobicContact CD1-CG 4.44Å; I299-F305 HydrophobicContact CD1-CZ 3.96Å; I299-F305 HydrophobicContact CG1-CB 4.42Å; I299-F305 HydrophobicContact CG1-CD1 3.94Å; I299-F305 HydrophobicContact CG1-CD2 3.72Å; I299-F305 HydrophobicContact CG1-CE1 4.09Å; I299-F305 HydrophobicContact CG1-CE2 3.87Å; I299-F305 HydrophobicContact CG1-CG 3.75Å; I299-F305 HydrophobicContact CG1-CZ 4.06Å; I299-F305 WeakPolarHBondContact O-CD1 3.49Å; I299-V316 HydrophobicContact CD1-CG1 4.24Å; I299-I317 HydrophobicContact CD1-CG1 4.19Å |
| 300 | T | 73.6 | Confident | 78.3 | Confident | 120 Ų | 120 | 70.2 Ų | 70.2 | 74% | 0.736 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -72.7 | -16.1 | -178.9 | 53 | 0 | 0 | 0 | 0 | 114.3 | G298 | G298-T300 PolarHBondContact O-N 2.95Š|
| 301 | S | 76.7 | Confident | 78.8 | Confident | 67 Ų | 67 | 70.5 Ų | 70.5 | 47% | 0.469 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -117.3 | 11 | -178.9 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | G298 I299 P303 | G298-S301 PolarHBondContact N-OG 3.36Å; G298-S301 PolarHBondContact O-N 3.35Å; G298-S301 PolarHBondContact O-OG 2.95Å; I299-S301 VanDerWaalsContact C-N 3.26Å; I299-S301 PolarHBondContact O-N 3.45Å; S301-P303 WeakPolarHBondContact O-CD 3.35Å |
| 302 | C | 80.6 | Confident | 79.1 | Confident | 1 Ų | 1 | 74.6 Ų | 74.6 | 1% | 0.007 | 44% | 0.437 | C | S | . | . | trans | -82.6 | 121.1 | -178.9 | -177 | 0 | 0 | 0 | 0 | 110.6 | C289 C292 H297 G298 I299 A304 F305 L306 | C289-C302 WeakPolarHBondContact SG-CB 3.5Å; C289-C302 VanDerWaalsContact SG-SG 3.61Å; C292-C302 VanDerWaalsContact SG-SG 3.63Å; H297-C302 WeakPolarHBondContact NE2-CB 3.43Å; H297-C302 PolarHBondContact NE2-SG 3.45Å; H297-C302 VanDerWaalsContact NE2-SG 3.44Å; G298-C302 PolarHBondContact O-N 3.08Å; I299-C302 PolarHBondContact O-N 2.79Å; C302-A304 VanDerWaalsContact C-N 3.26Å; C302-A304 PolarHBondContact O-N 3.05Å; C302-F305 HydrophobicContact CB-CB 3.8Å; C302-F305 PolarHBondContact O-N 3.21Å; C302-L306 WeakPolarHBondContact O-CG 3.29Å; C302-L306 PolarHBondContact O-N 3.07Å | ||
| 303 | P | 82.3 | Confident | 79.3 | Confident | 101 Ų | 101 | 75.7 Ų | 75.7 | 66% | 0.656 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.9 | -36.8 | 177 | -21.4 | 32 | 0 | 0 | 0 | 112.5 | S301 L306 G307 | S301-P303 WeakPolarHBondContact O-CD 3.35Å; P303-L306 PolarHBondContact O-N 3.16Å; P303-G307 PolarHBondContact O-N 3Å; P303-G307 VanDerWaalsContact O-N 3.12Å |
| 304 | A | 80.4 | Confident | 79.6 | Confident | 47 Ų | 47 | 75.4 Ų | 75.4 | 39% | 0.388 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | C292 C302 L306 G307 M308 | C292-A304 HydrophobicContact CB-CB 4.44Å; C302-A304 VanDerWaalsContact C-N 3.26Å; C302-A304 PolarHBondContact O-N 3.05Å; A304-L306 VanDerWaalsContact C-N 3.34Å; A304-L306 PolarHBondContact O-N 3.45Å; A304-G307 PolarHBondContact O-N 3.38Å; A304-M308 WeakPolarHBondContact O-CG 3.38Å; A304-M308 PolarHBondContact O-N 3.07Å |
| 305 | F | 84.9 | Confident | 80 | Confident | 22 Ų | 22 | 75.9 Ų | 75.9 | 10% | 0.096 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -66.8 | -34.8 | 176.4 | -171.4 | -102.6 | 0 | 0 | 0 | 112.5 | A291 I299 C302 G307 M308 R313 V316 I317 | A291-F305 HydrophobicContact CB-CB 3.85Å; A291-F305 HydrophobicContact CB-CD2 4.04Å; A291-F305 HydrophobicContact CB-CG 4.37Å; I299-F305 HydrophobicContact CD1-CD2 3.92Å; I299-F305 HydrophobicContact CD1-CE1 4.47Å; I299-F305 HydrophobicContact CD1-CE2 3.65Å; I299-F305 HydrophobicContact CD1-CG 4.44Å; I299-F305 HydrophobicContact CD1-CZ 3.96Å; I299-F305 HydrophobicContact CG1-CB 4.42Å; I299-F305 HydrophobicContact CG1-CD1 3.94Å; I299-F305 HydrophobicContact CG1-CD2 3.72Å; I299-F305 HydrophobicContact CG1-CE1 4.09Å; I299-F305 HydrophobicContact CG1-CE2 3.87Å; I299-F305 HydrophobicContact CG1-CG 3.75Å; I299-F305 HydrophobicContact CG1-CZ 4.06Å; I299-F305 WeakPolarHBondContact O-CD1 3.49Å; C302-F305 HydrophobicContact CB-CB 3.8Å; C302-F305 PolarHBondContact O-N 3.21Å; F305-G307 VanDerWaalsContact C-N 3.29Å; F305-G307 PolarHBondContact O-N 2.8Å; F305-M308 HydrophobicContact CD2-SD 4.27Å; F305-M308 PolarHBondContact O-N 3.5Å; F305-R313 HydrophobicContact CD2-CG 4.25Å; F305-R313 HydrophobicContact CE1-CG 4.22Å; F305-R313 HydrophobicContact CE2-CB 3.78Å; F305-R313 HydrophobicContact CE2-CG 3.79Å; F305-R313 HydrophobicContact CZ-CB 3.71Å; F305-R313 HydrophobicContact CZ-CG 3.76Å; F305-R313 PolarHBondContact O-NE 3.11Å; F305-V316 HydrophobicContact CD2-CG1 4.35Å; F305-V316 HydrophobicContact CE2-CB 4.32Å; F305-V316 HydrophobicContact CE2-CG1 4.32Å; F305-I317 HydrophobicContact CE2-CG1 4.4Å; F305-I317 HydrophobicContact CZ-CD1 3.96Å; F305-I317 HydrophobicContact CZ-CG1 4.24Å |
| 306 | L | 83 | Confident | 80.5 | Confident | 102 Ų | 102 | 73.9 Ų | 73.9 | 53% | 0.534 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -71.5 | -22.8 | 176.7 | -72.6 | 167.6 | 0 | 0 | 0 | 113 | C302 P303 A304 R313 | C302-L306 WeakPolarHBondContact O-CG 3.29Å; C302-L306 PolarHBondContact O-N 3.07Å; P303-L306 PolarHBondContact O-N 3.16Å; A304-L306 VanDerWaalsContact C-N 3.34Å; A304-L306 PolarHBondContact O-N 3.45Å; L306-R313 VanDerWaalsContact C-NH2 3.32Å; L306-R313 PolarHBondContact O-NH2 3.01Å |
| 307 | G | 83 | Confident | 81.1 | Confident | 70 Ų | 70 | 70.2 Ų | 70.2 | 72% | 0.722 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -84 | -16.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | P303 A304 F305 | P303-G307 PolarHBondContact O-N 3Å; P303-G307 VanDerWaalsContact O-N 3.12Å; A304-G307 PolarHBondContact O-N 3.38Å; F305-G307 VanDerWaalsContact C-N 3.29Å; F305-G307 PolarHBondContact O-N 2.8Å |
| 308 | M | 85.7 | Confident | 81.4 | Confident | 47 Ų | 47 | 78.4 Ų | 78.4 | 23% | 0.232 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -74 | 148.5 | -177.5 | -74.9 | 170 | -171 | 0 | 0 | 113.1 | A304 F305 E312 R313 V316 | A304-M308 WeakPolarHBondContact O-CG 3.38Å; A304-M308 PolarHBondContact O-N 3.07Å; F305-M308 HydrophobicContact CD2-SD 4.27Å; F305-M308 PolarHBondContact O-N 3.5Å; M308-E312 WeakPolarHBondContact CA-OE2 3.43Å; M308-E312 HydrophobicContact CB-CB 3.98Å; M308-E312 HydrophobicContact CG-CB 4.21Å; M308-E312 HydrophobicContact SD-CB 4.47Å; M308-R313 HydrophobicContact CB-CG 3.83Å; M308-R313 PolarHBondContact O-NE 2.95Å; M308-V316 HydrophobicContact CE-CG2 4.5Å; M308-V316 HydrophobicContact SD-CG2 4.05Å |
| 309 | D | 88.1 | Confident | 81.4 | Confident | 90 Ų | 90 | 84.1 Ų | 84.1 | 48% | 0.481 | 47% | 0.468 | S | S | . | . | trans | -65 | 158.6 | 168.2 | 177.1 | 54.6 | 0 | 0 | 0 | 111.2 | T311 E312 R313 | D309-T311 PolarHBondContact O-N 2.95Å; D309-T311 WeakPolarHBondContact OD2-CB 3.38Å; D309-T311 PolarHBondContact OD2-N 3.07Å; D309-T311 PolarHBondContact OD2-OG1 3.42Å; D309-E312 PolarHBondContact N-OE2 3.12Å; D309-E312 VanDerWaalsContact N-OE2 3.12Å; D309-E312 PolarHBondContact O-N 3.12Å; D309-E312 VanDerWaalsContact O-N 3.14Å; D309-R313 WeakPolarHBondContact O-CG 3.12Å; D309-R313 PolarHBondContact O-N 3.33Å | ||
| 310 | I | 84.1 | Confident | 80.8 | Confident | 120 Ų | 120 | 85.9 Ų | 85.9 | 62% | 0.615 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -57.3 | -33 | -179.2 | -159.2 | 164.9 | 0 | 0 | 0 | 112.5 | L314 | I310-L314 WeakPolarHBondContact O-CG 3.42Å; I310-L314 PolarHBondContact O-N 2.92Å |
| 311 | T | 84.9 | Confident | 81.1 | Confident | 99 Ų | 99 | 84.2 Ų | 84.2 | 61% | 0.607 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.9 | -42.4 | 179.7 | -38.9 | 0 | 0 | 0 | 0 | 111.2 | D309 L314 A315 | D309-T311 PolarHBondContact O-N 2.95Å; D309-T311 WeakPolarHBondContact OD2-CB 3.38Å; D309-T311 PolarHBondContact OD2-N 3.07Å; D309-T311 PolarHBondContact OD2-OG1 3.42Å; T311-L314 PolarHBondContact O-N 3Å; T311-A315 PolarHBondContact O-N 3.07Å |
| 312 | E | 82.6 | Confident | 81.4 | Confident | 108 Ų | 108 | 85.1 Ų | 85.1 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.4 | -40.9 | 178.1 | -64.8 | 177 | 145.9 | 0 | 0 | 111.4 | M308 D309 L314 A315 V316 | M308-E312 WeakPolarHBondContact CA-OE2 3.43Å; M308-E312 HydrophobicContact CB-CB 3.98Å; M308-E312 HydrophobicContact CG-CB 4.21Å; M308-E312 HydrophobicContact SD-CB 4.47Å; D309-E312 PolarHBondContact N-OE2 3.12Å; D309-E312 VanDerWaalsContact N-OE2 3.12Å; D309-E312 PolarHBondContact O-N 3.12Å; D309-E312 VanDerWaalsContact O-N 3.14Å; E312-L314 VanDerWaalsContact C-N 3.29Å; E312-L314 PolarHBondContact O-N 3.31Å; E312-A315 WeakPolarHBondContact O-CB 3.45Å; E312-A315 PolarHBondContact O-N 3.49Å; E312-A315 VanDerWaalsContact O-N 3.1Å; E312-V316 WeakPolarHBondContact O-CG2 3.4Å; E312-V316 PolarHBondContact O-N 2.69Å |
| 313 | R | 84.1 | Confident | 81.4 | Confident | 79 Ų | 79 | 89.7 Ų | 89.7 | 30% | 0.298 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59 | -41.2 | 176 | -69.9 | 179.5 | -173.3 | -164.5 | 1.1 | 112.3 | F305 L306 M308 D309 A315 V316 I317 | F305-R313 HydrophobicContact CD2-CG 4.25Å; F305-R313 HydrophobicContact CE1-CG 4.22Å; F305-R313 HydrophobicContact CE2-CB 3.78Å; F305-R313 HydrophobicContact CE2-CG 3.79Å; F305-R313 HydrophobicContact CZ-CB 3.71Å; F305-R313 HydrophobicContact CZ-CG 3.76Å; F305-R313 PolarHBondContact O-NE 3.11Å; L306-R313 VanDerWaalsContact C-NH2 3.32Å; L306-R313 PolarHBondContact O-NH2 3.01Å; M308-R313 HydrophobicContact CB-CG 3.83Å; M308-R313 PolarHBondContact O-NE 2.95Å; D309-R313 WeakPolarHBondContact O-CG 3.12Å; D309-R313 PolarHBondContact O-N 3.33Å; R313-A315 VanDerWaalsContact C-N 3.34Å; R313-V316 PolarHBondContact O-N 3.27Å; R313-I317 WeakPolarHBondContact O-CG1 3.19Å; R313-I317 PolarHBondContact O-N 3.01Å |
| 314 | L | 81.4 | Confident | 81.4 | Confident | 113 Ų | 113 | 89.1 Ų | 89.1 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.1 | -35.1 | 177 | -71.8 | 171.2 | 0 | 0 | 0 | 111.9 | I310 T311 E312 R318 | I310-L314 WeakPolarHBondContact O-CG 3.42Å; I310-L314 PolarHBondContact O-N 2.92Å; T311-L314 PolarHBondContact O-N 3Å; E312-L314 VanDerWaalsContact C-N 3.29Å; E312-L314 PolarHBondContact O-N 3.31Å; L314-R318 VanDerWaalsContact O-CB 3.3Å; L314-R318 WeakPolarHBondContact O-CB 3.4Å; L314-R318 PolarHBondContact O-N 2.9Å |
| 315 | A | 83.6 | Confident | 81.4 | Confident | 48 Ų | 48 | 91.7 Ų | 91.7 | 40% | 0.397 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T311 E312 R313 R318 N319 | T311-A315 PolarHBondContact O-N 3.07Å; E312-A315 WeakPolarHBondContact O-CB 3.45Å; E312-A315 PolarHBondContact O-N 3.49Å; E312-A315 VanDerWaalsContact O-N 3.1Å; R313-A315 VanDerWaalsContact C-N 3.34Å; A315-R318 PolarHBondContact O-N 2.95Å; A315-N319 WeakPolarHBondContact O-CB 3.29Å; A315-N319 PolarHBondContact O-N 3.29Å; A315-N319 VanDerWaalsContact O-N 3.1Å; A315-N319 PolarHBondContact O-ND2 3.44Å |
| 316 | V | 80.3 | Confident | 81.2 | Confident | 30 Ų | 30 | 96.3 Ų | 96.3 | 18% | 0.182 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 177.1 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | I290 A291 I299 F305 M308 E312 R313 R318 N319 G320 | I290-V316 HydrophobicContact CG2-CG1 3.83Å; A291-V316 HydrophobicContact CB-CG1 4.16Å; I299-V316 HydrophobicContact CD1-CG1 4.24Å; F305-V316 HydrophobicContact CD2-CG1 4.35Å; F305-V316 HydrophobicContact CE2-CB 4.32Å; F305-V316 HydrophobicContact CE2-CG1 4.32Å; M308-V316 HydrophobicContact CE-CG2 4.5Å; M308-V316 HydrophobicContact SD-CG2 4.05Å; E312-V316 WeakPolarHBondContact O-CG2 3.4Å; E312-V316 PolarHBondContact O-N 2.69Å; R313-V316 PolarHBondContact O-N 3.27Å; V316-R318 VanDerWaalsContact C-N 3.28Å; V316-R318 PolarHBondContact O-N 2.8Å; V316-N319 PolarHBondContact O-N 3Å; V316-G320 PolarHBondContact O-N 3.34Å |
| 317 | I | 81.3 | Confident | 81.1 | Confident | 99 Ų | 99 | 95.9 Ų | 95.9 | 51% | 0.508 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.4 | -28.9 | 176.5 | -68.6 | 168.8 | 0 | 0 | 0 | 112.1 | I299 F305 R313 | I299-I317 HydrophobicContact CD1-CG1 4.19Å; F305-I317 HydrophobicContact CE2-CG1 4.4Å; F305-I317 HydrophobicContact CZ-CD1 3.96Å; F305-I317 HydrophobicContact CZ-CG1 4.24Å; R313-I317 WeakPolarHBondContact O-CG1 3.19Å; R313-I317 PolarHBondContact O-N 3.01Å |
| 318 | R | 77.7 | Confident | 80.9 | Confident | 218 Ų | 218 | 97.9 Ų | 97.9 | 82% | 0.823 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -79 | -29.3 | 179.9 | -172.9 | 176.8 | -178.6 | 179.2 | -0.1 | 112.9 | L314 A315 V316 | L314-R318 VanDerWaalsContact O-CB 3.3Å; L314-R318 WeakPolarHBondContact O-CB 3.4Å; L314-R318 PolarHBondContact O-N 2.9Å; A315-R318 PolarHBondContact O-N 2.95Å; V316-R318 VanDerWaalsContact C-N 3.28Å; V316-R318 PolarHBondContact O-N 2.8Å |
| 319 | N | 73.3 | Confident | 80.5 | Confident | 139 Ų | 139 | 102.2 Ų | 102.2 | 74% | 0.743 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -101.5 | -7.3 | -172.2 | -69.1 | -17.5 | 0 | 0 | 0 | 114.7 | A315 V316 | A315-N319 WeakPolarHBondContact O-CB 3.29Å; A315-N319 PolarHBondContact O-N 3.29Å; A315-N319 VanDerWaalsContact O-N 3.1Å; A315-N319 PolarHBondContact O-ND2 3.44Å; V316-N319 PolarHBondContact O-N 3Å |
| 320 | G | 65 | Low | 79.8 | Confident | 83 Ų | 83 | 103.3 Ų | 103.3 | 86% | 0.856 | 56% | 0.557 | S | S | * | * | trans | -116.1 | 0 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V316 | V316-G320 PolarHBondContact O-N 3.34Š|
Retrieved 320 of 320 residues in 242.4 ms
(Link to these results)