| 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 | 37.3 | Very low | 62.6 | Low | 238 Ų | 238 | 107.3 Ų | 107.3 | 100% | 1.172 | 60% | 0.595 | S | S | * | * | 0 | 111.1 | 0 | -73.3 | 169.9 | 178.3 | 0 | 0 | 107.5 | V3 | M1-V3 PolarHBondContact O-N 3.48Š| |||
| 2 | T | 36.9 | Very low | 65.3 | Low | 143 Ų | 143 | 101.6 Ų | 101.6 | 88% | 0.877 | 56% | 0.562 | S | S | * | * | trans | -69.3 | 108.2 | 171.3 | 9.8 | 0 | 0 | 0 | 0 | 107.5 | K4 | T2-K4 PolarHBondContact O-N 3.44Š| ||
| 3 | V | 42.6 | Very low | 67.6 | Low | 123 Ų | 123 | 94.2 Ų | 94.2 | 75% | 0.745 | 52% | 0.521 | S | S | * | . | trans | -67.3 | 88 | 169.6 | -178 | 0 | 0 | 0 | 0 | 106.8 | M1 N5 | M1-V3 PolarHBondContact O-N 3.48Å; V3-N5 VanDerWaalsContact C-N 3.34Å; V3-N5 WeakPolarHBondContact CG1-OD1 3.38Å; V3-N5 PolarHBondContact O-N 3.35Å; V3-N5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | K | 45.8 | Very low | 69.4 | Low | 173 Ų | 173 | 89 Ų | 89 | 75% | 0.752 | 50% | 0.497 | S | S | * | . | trans | -69.5 | 99 | 162.4 | -95.6 | -178.2 | 173.2 | 178.4 | 0 | 106.1 | T2 S6 | T2-K4 PolarHBondContact O-N 3.44Å; K4-S6 PolarHBondContact O-N 3.3Å | ||
| 5 | N | 47.4 | Very low | 71 | Confident | 140 Ų | 140 | 83.2 Ų | 83.2 | 75% | 0.749 | 47% | 0.465 | S | S | * | . | trans | -67.5 | 39.1 | 159.9 | -86.3 | 0.3 | 0 | 0 | 0 | 111.1 | V3 S7 | V3-N5 VanDerWaalsContact C-N 3.34Å; V3-N5 WeakPolarHBondContact CG1-OD1 3.38Å; V3-N5 PolarHBondContact O-N 3.35Å; V3-N5 VanDerWaalsContact O-N 3.08Å; N5-S7 PolarHBondContact O-N 3.02Å | ||
| 6 | S | 54 | Low | 72.3 | Confident | 69 Ų | 69 | 80.2 Ų | 80.2 | 48% | 0.483 | 45% | 0.447 | S | S | . | . | trans | -76.8 | 106.2 | 171.4 | 55.9 | 0 | 0 | 0 | 0 | 106.9 | K4 V8 | K4-S6 PolarHBondContact O-N 3.3Å; S6-V8 PolarHBondContact O-N 3.39Å | ||
| 7 | S | 68 | Low | 73.3 | Confident | 97 Ų | 97 | 76.9 Ų | 76.9 | 68% | 0.678 | 43% | 0.43 | S | S | * | . | trans | -49.6 | 117.5 | 163.7 | 55.7 | 0 | 0 | 0 | 0 | 107.9 | N5 T9 | N5-S7 PolarHBondContact O-N 3.02Å; S7-T9 PolarHBondContact O-N 3.2Å; S7-T9 VanDerWaalsContact O-N 3.1Å | ||
| 8 | V | 79.3 | Confident | 74 | Confident | 13 Ų | 13 | 79.2 Ų | 79.2 | 8% | 0.079 | 44% | 0.441 | C | S | . | . | trans | -56.7 | 117.6 | 176.8 | 171 | 0 | 0 | 0 | 0 | 108.6 | S6 E10 F11 H93 F167 N171 | S6-V8 PolarHBondContact O-N 3.39Å; V8-E10 WeakPolarHBondContact CG1-O 3.42Å; V8-F11 HydrophobicContact CG1-CD1 4.09Å; V8-F11 HydrophobicContact CG1-CE1 3.81Å; V8-F11 HydrophobicContact CG1-CZ 4.06Å; V8-H93 WeakPolarHBondContact O-CB 3.38Å; V8-F167 HydrophobicContact CB-CB 4.16Å; V8-F167 HydrophobicContact CG2-CB 3.67Å; V8-F167 VanDerWaalsContact CG2-O 3.31Å; V8-F167 WeakPolarHBondContact CG2-O 3.49Å; V8-N171 HydrophobicContact CG1-CB 4.25Å; V8-N171 VanDerWaalsContact CG1-CG 3.47Å; V8-N171 WeakPolarHBondContact CG1-OD1 3.48Å; V8-N171 WeakPolarHBondContact CG2-OD1 3.5Å | ||
| 9 | T | 87.9 | Confident | 74.9 | Confident | 102 Ų | 102 | 81.3 Ų | 81.3 | 63% | 0.626 | 45% | 0.447 | S | S | * | . | trans | -87.1 | -24.2 | -178.7 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | S7 H93 | S7-T9 PolarHBondContact O-N 3.2Å; S7-T9 VanDerWaalsContact O-N 3.1Å; T9-H93 PolarHBondContact O-N 3.31Å | ||
| 10 | E | 93.8 | Very high | 75.5 | Confident | 82 Ų | 82 | 82.7 Ų | 82.7 | 38% | 0.383 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 149 | -175.2 | 64.3 | -179.8 | -151.8 | 0 | 0 | 111.6 | V8 I90 I91 N171 | V8-E10 WeakPolarHBondContact CG1-O 3.42Å; E10-I90 HydrophobicContact CB-CG2 3.83Å; E10-I90 HydrophobicContact CG-CG2 4.19Å; E10-I90 WeakPolarHBondContact OE2-CG2 3.43Å; E10-I91 CarbonylContact C-O 3.5Å; E10-I91 VanDerWaalsContact CA-O 3.28Å; E10-I91 WeakPolarHBondContact CA-O 3.26Å; E10-N171 WeakPolarHBondContact O-CB 3.49Å; E10-N171 PolarHBondContact O-ND2 2.92Å |
| 11 | F | 95.7 | Very high | 76.3 | Confident | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 153.3 | 171.1 | -62.7 | -76.7 | 0 | 0 | 0 | 110.1 | V8 I90 I91 H93 C96 F167 N171 V173 L183 L186 | V8-F11 HydrophobicContact CG1-CD1 4.09Å; V8-F11 HydrophobicContact CG1-CE1 3.81Å; V8-F11 HydrophobicContact CG1-CZ 4.06Å; F11-I90 CarbonylContact O-C 3.54Å; F11-I90 WeakPolarHBondContact O-CA 3.25Å; F11-I91 HydrophobicContact CB-CG2 3.83Å; F11-I91 PolarHBondContact N-O 3.31Å; F11-I91 PolarHBondContact O-N 3.4Å; F11-H93 HydrophobicContact CE2-CB 4.2Å; F11-H93 AromaticContact CE2-CD2 3.66Å; F11-H93 AromaticContact CZ-CD2 3.94Å; F11-C96 HydrophobicContact CD2-CB 3.72Å; F11-C96 HydrophobicContact CE2-CB 4.09Å; F11-F167 HydrophobicContact CE1-CB 4.46Å; F11-F167 HydrophobicContact CE1-CD1 4.43Å; F11-F167 HydrophobicContact CE1-CD2 4.35Å; F11-F167 HydrophobicContact CE1-CG 4.16Å; F11-F167 HydrophobicContact CZ-CD1 4.44Å; F11-F167 AromaticContact CZ-CD2 3.79Å; F11-F167 HydrophobicContact CZ-CD2 3.79Å; F11-F167 AromaticContact CZ-CE2 3.94Å; F11-F167 HydrophobicContact CZ-CE2 3.94Å; F11-F167 HydrophobicContact CZ-CG 4.06Å; F11-F167 HydrophobicContact CZ-CZ 4.32Å; F11-N171 CarbonylContact C-O 3.58Å; F11-N171 WeakPolarHBondContact CA-O 3.35Å; F11-V173 HydrophobicContact CB-CG2 3.96Å; F11-V173 HydrophobicContact CD1-CG2 3.93Å; F11-V173 HydrophobicContact CG-CG2 4.12Å; F11-L183 HydrophobicContact CD1-CD2 4.39Å; F11-L183 HydrophobicContact CE1-CD2 4.12Å; F11-L183 HydrophobicContact CE2-CD2 4.39Å; F11-L183 HydrophobicContact CZ-CD2 4.11Å; F11-L186 HydrophobicContact CD1-CD1 3.96Å; F11-L186 HydrophobicContact CE1-CD1 3.97Å |
| 12 | I | 95.2 | Very high | 79 | Confident | 39 Ų | 39 | 74.2 Ų | 74.2 | 20% | 0.2 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 116.5 | 171.7 | -55.6 | 175.4 | 0 | 0 | 0 | 106.8 | I90 N171 L172 V173 | I12-I90 HydrophobicContact CG1-CG1 4.43Å; I12-N171 PolarHBondContact N-O 3.37Å; I12-L172 HydrophobicContact CB-CD1 4.29Å; I12-L172 HydrophobicContact CG2-CD1 4.13Å; I12-L172 CarbonylContact O-C 3.53Å; I12-L172 WeakPolarHBondContact O-CA 3.32Å; I12-V173 PolarHBondContact O-N 3.43Å |
| 13 | L | 95.6 | Very high | 81.7 | Confident | 5 Ų | 5 | 70.3 Ų | 70.3 | 3% | 0.026 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 125 | 174.9 | -58 | 179.5 | 0 | 0 | 0 | 109.4 | G15 K79 N89 I91 V173 | L13-G15 PolarHBondContact O-N 3.19Å; L13-K79 HydrophobicContact CD1-CD 4.44Å; L13-K79 HydrophobicContact CD1-CG 3.71Å; L13-N89 HydrophobicContact CB-CB 4.32Å; L13-N89 PolarHBondContact N-O 2.95Å; L13-I91 HydrophobicContact CD1-CG2 4.4Å; L13-I91 HydrophobicContact CD2-CG2 4.28Å; L13-I91 HydrophobicContact CG-CG2 4.11Å; L13-V173 HydrophobicContact CD2-CB 3.77Å; L13-V173 HydrophobicContact CD2-CG1 4Å; L13-V173 HydrophobicContact CD2-CG2 4.17Å |
| 14 | A | 92.9 | Very high | 84.2 | Confident | 22 Ų | 22 | 69.6 Ų | 69.6 | 18% | 0.182 | 39% | 0.394 | C | S | . | . | trans | -64 | -29.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L172 V173 H175 | A14-L172 HydrophobicContact CB-CD1 4.23Å; A14-V173 WeakPolarHBondContact CB-O 3.44Å; A14-V173 PolarHBondContact N-O 3.01Å; A14-H175 PolarHBondContact N-O 3.32Å | ||
| 15 | G | 93.1 | Very high | 86.7 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 2% | 0.021 | 38% | 0.382 | C | S | . | . | trans | 78.9 | -163.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L13 H175 | L13-G15 PolarHBondContact O-N 3.19Å; G15-H175 PolarHBondContact N-O 3.17Å; G15-H175 VanDerWaalsContact N-O 3.16Å | ||
| 16 | L | 91.4 | Very high | 89 | Confident | 35 Ų | 35 | 60.1 Ų | 60.1 | 18% | 0.183 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -88.9 | -26.7 | -178.3 | -70.3 | 179.6 | 0 | 0 | 0 | 114.2 | F30 M80 F84 F176 K271 L275 | L16-F30 HydrophobicContact CD1-CD2 4.18Å; L16-F30 HydrophobicContact CD1-CE1 4.47Å; L16-F30 HydrophobicContact CD1-CE2 3.31Å; L16-F30 HydrophobicContact CD1-CZ 3.5Å; L16-F30 VanDerWaalsContact CD1-CZ 3.5Å; L16-M80 HydrophobicContact CD1-SD 3.87Å; L16-M80 HydrophobicContact CG-SD 4.37Å; L16-F84 HydrophobicContact CB-CE1 4.11Å; L16-F84 HydrophobicContact CB-CZ 4.3Å; L16-F84 HydrophobicContact CD1-CE1 4.45Å; L16-F84 HydrophobicContact CD1-CZ 3.87Å; L16-F84 HydrophobicContact CG-CZ 4.36Å; L16-F176 HydrophobicContact CD2-CB 4.22Å; L16-F176 HydrophobicContact CD2-CD1 3.4Å; L16-F176 HydrophobicContact CD2-CE1 4.03Å; L16-F176 HydrophobicContact CD2-CG 4.05Å; L16-F176 HydrophobicContact CG-CB 4.2Å; L16-F176 HydrophobicContact CG-CD1 4.22Å; L16-F176 HydrophobicContact CG-CG 4.41Å; L16-K271 HydrophobicContact CD2-CB 4.42Å; L16-L275 HydrophobicContact CD1-CD1 4.16Å; L16-L275 HydrophobicContact CD1-CD2 3.74Å; L16-L275 HydrophobicContact CD2-CD1 4.29Å; L16-L275 HydrophobicContact CD2-CD2 3.96Å; L16-L275 HydrophobicContact CD2-CG 4.3Å; L16-L275 HydrophobicContact CG-CD2 4.43Å |
| 17 | T | 90 | Very high | 91 | Very high | 25 Ų | 25 | 58.5 Ų | 58.5 | 15% | 0.153 | 34% | 0.34 | C | S | . | . | trans | -155.5 | 141.8 | -177.1 | -169.9 | 0 | 0 | 0 | 0 | 112.3 | Q19 L22 R23 L26 | T17-Q19 PolarHBondContact OG1-N 2.94Å; T17-Q19 VanDerWaalsContact OG1-N 3.16Å; T17-L22 HydrophobicContact CG2-CB 4.07Å; T17-R23 HydrophobicContact CG2-CG 4.38Å; T17-L26 HydrophobicContact CG2-CD1 3.5Å; T17-L26 VanDerWaalsContact CG2-CD1 3.5Å | ||
| 18 | D | 85.9 | Confident | 92.5 | Very high | 117 Ų | 117 | 60.1 Ų | 60.1 | 63% | 0.626 | 34% | 0.335 | S | S | * | . | trans | -92.9 | -7.5 | 170 | -69 | -47.8 | 0 | 0 | 0 | 113 | P20 R23 | D18-P20 WeakPolarHBondContact O-CD 3.49Å; D18-R23 IonicContact OD1-NH2 3.97Å | ||
| 19 | Q | 90.4 | Very high | 93.3 | Very high | 120 Ų | 120 | 63.4 Ų | 63.4 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | trans | -72.9 | 114.1 | -176.9 | -62.8 | -174.3 | 8.5 | 0 | 0 | 111.1 | T17 G21 L22 R23 | T17-Q19 PolarHBondContact OG1-N 2.94Å; T17-Q19 VanDerWaalsContact OG1-N 3.16Å; Q19-G21 VanDerWaalsContact C-N 3.26Å; Q19-G21 PolarHBondContact O-N 3.28Å; Q19-L22 HydrophobicContact CB-CB 4.36Å; Q19-L22 HydrophobicContact CB-CD1 4.24Å; Q19-L22 HydrophobicContact CB-CG 4.29Å; Q19-L22 PolarHBondContact O-N 3.46Å; Q19-R23 PolarHBondContact O-N 3.08Å | ||
| 20 | P | 87.4 | Confident | 93.8 | Very high | 109 Ų | 109 | 59 Ų | 59 | 71% | 0.708 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58.9 | -35.7 | -174.3 | -26.1 | 35.7 | 0 | 0 | 0 | 113.7 | D18 L22 R23 | D18-P20 WeakPolarHBondContact O-CD 3.49Å; P20-L22 VanDerWaalsContact C-N 3.28Å; P20-L22 PolarHBondContact O-N 3.43Å; P20-R23 PolarHBondContact O-N 3.34Å |
| 21 | G | 92.2 | Very high | 94 | Very high | 65 Ų | 65 | 57.4 Ų | 57.4 | 67% | 0.67 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -68.3 | -21.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q19 P25 | Q19-G21 VanDerWaalsContact C-N 3.26Å; Q19-G21 PolarHBondContact O-N 3.28Å; G21-P25 WeakPolarHBondContact O-CD 3.36Å |
| 22 | L | 93.3 | Very high | 94.1 | Very high | 78 Ų | 78 | 59 Ų | 59 | 41% | 0.408 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -94.4 | -17 | 179.4 | -67.5 | -178 | 0 | 0 | 0 | 113.3 | T17 Q19 P20 L24 P25 L26 | T17-L22 HydrophobicContact CG2-CB 4.07Å; Q19-L22 HydrophobicContact CB-CB 4.36Å; Q19-L22 HydrophobicContact CB-CD1 4.24Å; Q19-L22 HydrophobicContact CB-CG 4.29Å; Q19-L22 PolarHBondContact O-N 3.46Å; P20-L22 VanDerWaalsContact C-N 3.28Å; P20-L22 PolarHBondContact O-N 3.43Å; L22-L24 PolarHBondContact O-N 2.99Å; L22-P25 WeakPolarHBondContact O-CD 3.43Å; L22-L26 HydrophobicContact CB-CD1 4.23Å; L22-L26 WeakPolarHBondContact O-CB 3.44Å; L22-L26 VanDerWaalsContact O-CG 3.23Å; L22-L26 WeakPolarHBondContact O-CG 3.16Å; L22-L26 PolarHBondContact O-N 3.33Å |
| 23 | R | 94.3 | Very high | 94.2 | Very high | 61 Ų | 61 | 59.7 Ų | 59.7 | 23% | 0.23 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.9 | -52 | -175 | -72.5 | -175.2 | -179.7 | -164 | -0.8 | 112.9 | T17 D18 Q19 P20 L26 F27 F84 | T17-R23 HydrophobicContact CG2-CG 4.38Å; D18-R23 IonicContact OD1-NH2 3.97Å; Q19-R23 PolarHBondContact O-N 3.08Å; P20-R23 PolarHBondContact O-N 3.34Å; R23-L26 PolarHBondContact O-N 3.03Å; R23-F27 WeakPolarHBondContact O-CB 3.46Å; R23-F27 PolarHBondContact O-N 3.47Å; R23-F84 HydrophobicContact CB-CB 4.31Å; R23-F84 WeakPolarHBondContact CB-O 3.46Å; R23-F84 WeakPolarHBondContact CD-O 3.47Å; R23-F84 WeakPolarHBondContact O-CB 3.35Å |
| 24 | L | 95.2 | Very high | 94.3 | Very high | 107 Ų | 107 | 61.7 Ų | 61.7 | 56% | 0.56 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.2 | -47.8 | -179.7 | -74.5 | 173.7 | 0 | 0 | 0 | 113 | L22 L26 F27 F28 | L22-L24 PolarHBondContact O-N 2.99Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 3.42Å; L24-F27 WeakPolarHBondContact O-CB 3.47Å; L24-F27 PolarHBondContact O-N 2.92Å; L24-F28 WeakPolarHBondContact O-CD2 3.5Å; L24-F28 PolarHBondContact O-N 3.49Å; L24-F28 VanDerWaalsContact O-N 3.15Å |
| 25 | P | 96.9 | Very high | 94.5 | Very high | 75 Ų | 75 | 65.4 Ų | 65.4 | 49% | 0.487 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -55.3 | -45.6 | 173.7 | -28.6 | 34.8 | 0 | 0 | 0 | 113.6 | G21 L22 F28 L29 | G21-P25 WeakPolarHBondContact O-CD 3.36Å; L22-P25 WeakPolarHBondContact O-CD 3.43Å; P25-F28 PolarHBondContact O-N 2.94Å; P25-L29 WeakPolarHBondContact O-CB 3.25Å; P25-L29 PolarHBondContact O-N 3.49Å |
| 26 | L | 95.9 | Very high | 94.7 | Very high | 39 Ų | 39 | 68.2 Ų | 68.2 | 20% | 0.204 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67 | -38.2 | 178.6 | -68.5 | 177.2 | 0 | 0 | 0 | 112 | T17 L22 R23 L24 F28 L29 F30 F84 | T17-L26 HydrophobicContact CG2-CD1 3.5Å; T17-L26 VanDerWaalsContact CG2-CD1 3.5Å; L22-L26 HydrophobicContact CB-CD1 4.23Å; L22-L26 WeakPolarHBondContact O-CB 3.44Å; L22-L26 VanDerWaalsContact O-CG 3.23Å; L22-L26 WeakPolarHBondContact O-CG 3.16Å; L22-L26 PolarHBondContact O-N 3.33Å; R23-L26 PolarHBondContact O-N 3.03Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 3.42Å; L26-F28 PolarHBondContact O-N 3.41Å; L26-L29 HydrophobicContact CD2-CD2 4.23Å; L26-L29 PolarHBondContact O-N 3.3Å; L26-F30 HydrophobicContact CB-CD2 4.25Å; L26-F30 HydrophobicContact CB-CE2 4.32Å; L26-F30 HydrophobicContact CD2-CE2 4.06Å; L26-F30 WeakPolarHBondContact O-CD2 3.3Å; L26-F30 PolarHBondContact O-N 3.4Å; L26-F84 HydrophobicContact CB-CD1 4.05Å; L26-F84 HydrophobicContact CB-CE1 3.68Å; L26-F84 HydrophobicContact CB-CE2 4.38Å; L26-F84 HydrophobicContact CB-CZ 3.88Å; L26-F84 HydrophobicContact CD1-CE1 3.9Å; L26-F84 HydrophobicContact CG-CE1 4.47Å |
| 27 | F | 97.4 | Very high | 95 | Very high | 36 Ų | 36 | 66.5 Ų | 66.5 | 16% | 0.158 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -55.2 | -52.2 | 174.6 | 177.3 | -95.1 | 0 | 0 | 0 | 111.4 | R23 L24 L29 L31 L81 F84 I85 | R23-F27 WeakPolarHBondContact O-CB 3.46Å; R23-F27 PolarHBondContact O-N 3.47Å; L24-F27 WeakPolarHBondContact O-CB 3.47Å; L24-F27 PolarHBondContact O-N 2.92Å; F27-L29 PolarHBondContact O-N 2.82Å; F27-L31 HydrophobicContact CE1-CD2 3.97Å; F27-L31 HydrophobicContact CZ-CD2 4.36Å; F27-L31 WeakPolarHBondContact O-CB 3.5Å; F27-L31 PolarHBondContact O-N 3.22Å; F27-L81 HydrophobicContact CD2-CB 4.17Å; F27-L81 HydrophobicContact CD2-CD2 3.92Å; F27-L81 HydrophobicContact CE2-CB 4Å; F27-L81 HydrophobicContact CE2-CD2 4.23Å; F27-L81 WeakPolarHBondContact O-CD2 3.38Å; F27-F84 HydrophobicContact CB-CB 3.82Å; F27-F84 HydrophobicContact CB-CD2 4.02Å; F27-F84 HydrophobicContact CB-CG 4.18Å; F27-F84 HydrophobicContact CD2-CB 4.24Å; F27-F84 HydrophobicContact CD2-CD2 4.3Å; F27-I85 HydrophobicContact CD2-CG2 3.62Å; F27-I85 HydrophobicContact CE2-CD1 4.19Å; F27-I85 HydrophobicContact CE2-CG2 3.8Å; F27-I85 HydrophobicContact CG-CG2 4.04Å; F27-I85 HydrophobicContact CZ-CG2 4.38Å |
| 28 | F | 98 | Very high | 95.3 | Very high | 131 Ų | 131 | 66.5 Ų | 66.5 | 58% | 0.575 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67.6 | -36.5 | 179.9 | -70 | -64.1 | 0 | 0 | 0 | 112.7 | L24 P25 L26 G32 | L24-F28 WeakPolarHBondContact O-CD2 3.5Å; L24-F28 PolarHBondContact O-N 3.49Å; L24-F28 VanDerWaalsContact O-N 3.15Å; P25-F28 PolarHBondContact O-N 2.94Å; L26-F28 PolarHBondContact O-N 3.41Å; F28-G32 PolarHBondContact O-N 3.18Å |
| 29 | L | 97.5 | Very high | 95.8 | Very high | 82 Ų | 82 | 65.8 Ų | 65.8 | 43% | 0.429 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.1 | -54.9 | 175.3 | 177.6 | 64.4 | 0 | 0 | 0 | 111.6 | P25 L26 F27 L31 G32 F33 | P25-L29 WeakPolarHBondContact O-CB 3.25Å; P25-L29 PolarHBondContact O-N 3.49Å; L26-L29 HydrophobicContact CD2-CD2 4.23Å; L26-L29 PolarHBondContact O-N 3.3Å; F27-L29 PolarHBondContact O-N 2.82Å; L29-L31 VanDerWaalsContact C-N 3.35Å; L29-G32 PolarHBondContact O-N 2.91Å; L29-F33 HydrophobicContact CD1-CE1 3.85Å; L29-F33 HydrophobicContact CD1-CE2 4.24Å; L29-F33 HydrophobicContact CD1-CZ 3.66Å; L29-F33 HydrophobicContact CG-CE2 4.2Å; L29-F33 HydrophobicContact CG-CZ 4.12Å; L29-F33 PolarHBondContact O-N 3.01Å |
| 30 | F | 97.6 | Very high | 96.1 | Very high | 10 Ų | 10 | 61 Ų | 61 | 4% | 0.044 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -72.8 | -28 | -178.2 | -72.9 | -66.6 | 0 | 0 | 0 | 112.9 | L16 L26 G32 F33 Y34 M80 L81 F84 L275 I279 | L16-F30 HydrophobicContact CD1-CD2 4.18Å; L16-F30 HydrophobicContact CD1-CE1 4.47Å; L16-F30 HydrophobicContact CD1-CE2 3.31Å; L16-F30 HydrophobicContact CD1-CZ 3.5Å; L16-F30 VanDerWaalsContact CD1-CZ 3.5Å; L26-F30 HydrophobicContact CB-CD2 4.25Å; L26-F30 HydrophobicContact CB-CE2 4.32Å; L26-F30 HydrophobicContact CD2-CE2 4.06Å; L26-F30 WeakPolarHBondContact O-CD2 3.3Å; L26-F30 PolarHBondContact O-N 3.4Å; F30-G32 VanDerWaalsContact C-N 3.31Å; F30-F33 AromaticContact CD1-CD2 3.84Å; F30-F33 HydrophobicContact CD1-CD2 3.84Å; F30-F33 HydrophobicContact CD1-CE2 4.43Å; F30-F33 HydrophobicContact CE1-CD2 4.13Å; F30-F33 HydrophobicContact CE1-CE2 4.35Å; F30-F33 PolarHBondContact O-N 3.41Å; F30-Y34 WeakPolarHBondContact O-CB 3.32Å; F30-Y34 PolarHBondContact O-N 3.25Å; F30-M80 HydrophobicContact CB-CE 3.55Å; F30-M80 HydrophobicContact CD1-CE 3.54Å; F30-M80 HydrophobicContact CD1-SD 4.39Å; F30-M80 HydrophobicContact CD2-CE 4.05Å; F30-M80 HydrophobicContact CE1-CE 4.23Å; F30-M80 HydrophobicContact CG-CE 3.44Å; F30-M80 VanDerWaalsContact CG-CE 3.44Å; F30-M80 HydrophobicContact CG-SD 4.39Å; F30-L81 HydrophobicContact CB-CD2 3.78Å; F30-F84 HydrophobicContact CB-CE2 4.48Å; F30-F84 AromaticContact CD2-CE2 3.76Å; F30-F84 HydrophobicContact CD2-CE2 3.76Å; F30-F84 AromaticContact CD2-CZ 3.7Å; F30-F84 HydrophobicContact CD2-CZ 3.7Å; F30-F84 HydrophobicContact CE2-CZ 4.02Å; F30-F84 HydrophobicContact CG-CE2 4.48Å; F30-L275 HydrophobicContact CE1-CD1 4.41Å; F30-L275 HydrophobicContact CE1-CD2 3.83Å; F30-L275 HydrophobicContact CZ-CD1 3.91Å; F30-L275 HydrophobicContact CZ-CD2 3.84Å; F30-L275 HydrophobicContact CZ-CG 4.49Å; F30-I279 HydrophobicContact CD1-CD1 4.14Å; F30-I279 HydrophobicContact CD1-CG2 4.29Å; F30-I279 HydrophobicContact CE1-CD1 4.1Å |
| 31 | L | 98.2 | Very high | 96.5 | Very high | 47 Ų | 47 | 55.9 Ų | 55.9 | 25% | 0.246 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 169.7 | -179.3 | 63.9 | 0 | 0 | 0 | 110.3 | F27 L29 Y34 M35 L81 | F27-L31 HydrophobicContact CE1-CD2 3.97Å; F27-L31 HydrophobicContact CZ-CD2 4.36Å; F27-L31 WeakPolarHBondContact O-CB 3.5Å; F27-L31 PolarHBondContact O-N 3.22Å; L29-L31 VanDerWaalsContact C-N 3.35Å; L31-Y34 PolarHBondContact O-N 3.46Å; L31-M35 HydrophobicContact CD1-CE 3.83Å; L31-M35 VanDerWaalsContact O-CG 3.27Å; L31-M35 WeakPolarHBondContact O-CG 3.28Å; L31-M35 PolarHBondContact O-N 2.84Å; L31-L81 HydrophobicContact CB-CD1 4.41Å; L31-L81 HydrophobicContact CB-CD2 4.26Å; L31-L81 HydrophobicContact CD1-CD1 4Å |
| 32 | G | 97.8 | Very high | 96.8 | Very high | 33 Ų | 33 | 56.2 Ų | 56.2 | 34% | 0.34 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.8 | -48.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F28 L29 F30 Y34 M35 V36 | F28-G32 PolarHBondContact O-N 3.18Å; L29-G32 PolarHBondContact O-N 2.91Å; F30-G32 VanDerWaalsContact C-N 3.31Å; G32-Y34 VanDerWaalsContact C-N 3.33Å; G32-Y34 PolarHBondContact O-N 3.04Å; G32-M35 PolarHBondContact O-N 3.35Å; G32-V36 WeakPolarHBondContact O-CG2 3.26Å; G32-V36 PolarHBondContact O-N 3.33Å |
| 33 | F | 97.4 | Very high | 96.9 | Very high | 55 Ų | 55 | 53.9 Ų | 53.9 | 24% | 0.241 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 176.5 | -67.3 | -7.7 | 0 | 0 | 0 | 112.3 | L29 F30 V36 T37 I279 M283 | L29-F33 HydrophobicContact CD1-CE1 3.85Å; L29-F33 HydrophobicContact CD1-CE2 4.24Å; L29-F33 HydrophobicContact CD1-CZ 3.66Å; L29-F33 HydrophobicContact CG-CE2 4.2Å; L29-F33 HydrophobicContact CG-CZ 4.12Å; L29-F33 PolarHBondContact O-N 3.01Å; F30-F33 AromaticContact CD1-CD2 3.84Å; F30-F33 HydrophobicContact CD1-CD2 3.84Å; F30-F33 HydrophobicContact CD1-CE2 4.43Å; F30-F33 HydrophobicContact CE1-CD2 4.13Å; F30-F33 HydrophobicContact CE1-CE2 4.35Å; F30-F33 PolarHBondContact O-N 3.41Å; F33-V36 PolarHBondContact O-N 3.47Å; F33-T37 WeakPolarHBondContact O-CB 3.34Å; F33-T37 PolarHBondContact O-N 2.97Å; F33-T37 PolarHBondContact O-OG1 3.34Å; F33-I279 HydrophobicContact CB-CG2 4.02Å; F33-I279 HydrophobicContact CD2-CG2 3.95Å; F33-I279 HydrophobicContact CG-CG2 4.47Å; F33-M283 HydrophobicContact CB-SD 3.97Å; F33-M283 HydrophobicContact CD1-SD 3.31Å; F33-M283 WeakPolarHBondContact CD1-SD 3.42Å; F33-M283 HydrophobicContact CD2-SD 4.35Å; F33-M283 HydrophobicContact CE1-SD 3.79Å; F33-M283 HydrophobicContact CG-SD 3.63Å; F33-M283 HydrophobicContact CZ-SD 4.48Å |
| 34 | Y | 97.8 | Very high | 96.9 | Very high | 47 Ų | 47 | 51.1 Ų | 51.1 | 18% | 0.184 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.8 | -47.9 | 175.3 | -177.7 | -123 | 0 | 0 | 0 | 112 | F30 L31 G32 V36 T37 V38 I77 P78 | F30-Y34 WeakPolarHBondContact O-CB 3.32Å; F30-Y34 PolarHBondContact O-N 3.25Å; L31-Y34 PolarHBondContact O-N 3.46Å; G32-Y34 VanDerWaalsContact C-N 3.33Å; G32-Y34 PolarHBondContact O-N 3.04Å; Y34-V36 PolarHBondContact O-N 3.45Å; Y34-T37 WeakPolarHBondContact O-CB 3.34Å; Y34-T37 PolarHBondContact O-N 3.46Å; Y34-V38 HydrophobicContact CD1-CG2 4.45Å; Y34-V38 HydrophobicContact CD2-CG2 3.83Å; Y34-V38 HydrophobicContact CE1-CG2 4.1Å; Y34-V38 HydrophobicContact CE2-CG2 3.43Å; Y34-V38 VanDerWaalsContact CE2-CG2 3.43Å; Y34-V38 HydrophobicContact CG-CG2 4.33Å; Y34-V38 WeakPolarHBondContact O-CB 3.44Å; Y34-V38 WeakPolarHBondContact O-CG2 3.18Å; Y34-V38 PolarHBondContact O-N 2.9Å; Y34-I77 HydrophobicContact CD2-CB 3.9Å; Y34-I77 HydrophobicContact CD2-CD1 4.01Å; Y34-I77 HydrophobicContact CD2-CG1 4.49Å; Y34-I77 HydrophobicContact CD2-CG2 4.03Å; Y34-I77 HydrophobicContact CG-CB 4.37Å; Y34-I77 HydrophobicContact CG-CG2 3.98Å; Y34-P78 HydrophobicContact CE2-CG 4.39Å |
| 35 | M | 97.6 | Very high | 97 | Very high | 99 Ų | 99 | 47.6 Ų | 47.6 | 49% | 0.488 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 180 | -69.2 | -63.9 | 174.5 | 0 | 0 | 112 | L31 G32 T37 V38 V39 | L31-M35 HydrophobicContact CD1-CE 3.83Å; L31-M35 VanDerWaalsContact O-CG 3.27Å; L31-M35 WeakPolarHBondContact O-CG 3.28Å; L31-M35 PolarHBondContact O-N 2.84Å; G32-M35 PolarHBondContact O-N 3.35Å; M35-T37 VanDerWaalsContact C-N 3.31Å; M35-T37 PolarHBondContact O-N 3.07Å; M35-V38 PolarHBondContact O-N 3.43Å; M35-V39 VanDerWaalsContact O-CB 3.3Å; M35-V39 WeakPolarHBondContact O-CB 3.23Å; M35-V39 VanDerWaalsContact O-CG2 3.27Å; M35-V39 WeakPolarHBondContact O-CG2 3.37Å; M35-V39 PolarHBondContact O-N 3.49Å |
| 36 | V | 96.2 | Very high | 96.9 | Very high | 61 Ų | 61 | 48.6 Ų | 48.6 | 37% | 0.37 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 174.8 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | G32 F33 Y34 G40 M283 | G32-V36 WeakPolarHBondContact O-CG2 3.26Å; G32-V36 PolarHBondContact O-N 3.33Å; F33-V36 PolarHBondContact O-N 3.47Å; Y34-V36 PolarHBondContact O-N 3.45Å; V36-G40 WeakPolarHBondContact O-CA 3.49Å; V36-G40 PolarHBondContact O-N 2.94Å; V36-M283 HydrophobicContact CB-CG 4.05Å; V36-M283 HydrophobicContact CG1-CG 3.7Å |
| 37 | T | 97.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.1 | -49.2 | -179.7 | -54.1 | 0 | 0 | 0 | 0 | 111.7 | F33 Y34 M35 N41 S73 P282 M283 | F33-T37 WeakPolarHBondContact O-CB 3.34Å; F33-T37 PolarHBondContact O-N 2.97Å; F33-T37 PolarHBondContact O-OG1 3.34Å; Y34-T37 WeakPolarHBondContact O-CB 3.34Å; Y34-T37 PolarHBondContact O-N 3.46Å; M35-T37 VanDerWaalsContact C-N 3.31Å; M35-T37 PolarHBondContact O-N 3.07Å; T37-N41 WeakPolarHBondContact CG2-ND2 3.45Å; T37-N41 VanDerWaalsContact O-CB 3.29Å; T37-N41 WeakPolarHBondContact O-CB 3.4Å; T37-N41 PolarHBondContact O-N 2.85Å; T37-N41 PolarHBondContact O-ND2 2.92Å; T37-S73 VanDerWaalsContact CG2-OG 3.3Å; T37-S73 WeakPolarHBondContact CG2-OG 3.17Å; T37-P282 HydrophobicContact CG2-CB 3.8Å; T37-M283 VanDerWaalsContact OG1-CA 3.26Å; T37-M283 WeakPolarHBondContact OG1-CA 3.36Å; T37-M283 WeakPolarHBondContact OG1-CB 3.25Å |
| 38 | V | 97.6 | Very high | 96.8 | Very high | 24 Ų | 24 | 46.1 Ų | 46.1 | 15% | 0.145 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.8 | -52.1 | -179.5 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | Y34 M35 G40 L42 F70 | Y34-V38 HydrophobicContact CD1-CG2 4.45Å; Y34-V38 HydrophobicContact CD2-CG2 3.83Å; Y34-V38 HydrophobicContact CE1-CG2 4.1Å; Y34-V38 HydrophobicContact CE2-CG2 3.43Å; Y34-V38 VanDerWaalsContact CE2-CG2 3.43Å; Y34-V38 HydrophobicContact CG-CG2 4.33Å; Y34-V38 WeakPolarHBondContact O-CB 3.44Å; Y34-V38 WeakPolarHBondContact O-CG2 3.18Å; Y34-V38 PolarHBondContact O-N 2.9Å; M35-V38 PolarHBondContact O-N 3.43Å; V38-G40 PolarHBondContact O-N 3.37Å; V38-L42 HydrophobicContact CG1-CD1 3.7Å; V38-L42 HydrophobicContact CG1-CG 4.41Å; V38-L42 WeakPolarHBondContact O-CB 3.11Å; V38-L42 VanDerWaalsContact O-CG 3.28Å; V38-L42 WeakPolarHBondContact O-CG 3.23Å; V38-L42 PolarHBondContact O-N 3.44Å; V38-F70 HydrophobicContact CG1-CD2 4.31Å; V38-F70 HydrophobicContact CG1-CE2 3.99Å; V38-F70 HydrophobicContact CG2-CD2 4.17Å; V38-F70 HydrophobicContact CG2-CE2 4.15Å |
| 39 | V | 96.4 | Very high | 96.6 | Very high | 102 Ų | 102 | 42.1 Ų | 42.1 | 62% | 0.618 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -65.2 | -42.5 | -178.8 | 174 | 0 | 0 | 0 | 0 | 111 | M35 G43 | M35-V39 VanDerWaalsContact O-CB 3.3Å; M35-V39 WeakPolarHBondContact O-CB 3.23Å; M35-V39 VanDerWaalsContact O-CG2 3.27Å; M35-V39 WeakPolarHBondContact O-CG2 3.37Å; M35-V39 PolarHBondContact O-N 3.49Å; V39-G43 WeakPolarHBondContact O-CA 3.3Å; V39-G43 PolarHBondContact O-N 3.31Å |
| 40 | G | 95.6 | Very high | 96.5 | Very high | 21 Ų | 21 | 42.8 Ų | 42.8 | 22% | 0.216 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.7 | -49.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V36 V38 L44 | V36-G40 WeakPolarHBondContact O-CA 3.49Å; V36-G40 PolarHBondContact O-N 2.94Å; V38-G40 PolarHBondContact O-N 3.37Å; G40-L44 WeakPolarHBondContact O-CB 3.27Å; G40-L44 PolarHBondContact O-N 2.82Å |
| 41 | N | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -75.5 | -43.4 | -176.9 | -75.2 | -60 | 0 | 0 | 0 | 112.7 | T37 G43 L44 I45 S66 F70 P282 P286 | T37-N41 WeakPolarHBondContact CG2-ND2 3.45Å; T37-N41 VanDerWaalsContact O-CB 3.29Å; T37-N41 WeakPolarHBondContact O-CB 3.4Å; T37-N41 PolarHBondContact O-N 2.85Å; T37-N41 PolarHBondContact O-ND2 2.92Å; N41-G43 VanDerWaalsContact C-N 3.28Å; N41-G43 PolarHBondContact O-N 3.49Å; N41-L44 PolarHBondContact O-N 3.19Å; N41-L44 VanDerWaalsContact O-N 3.17Å; N41-I45 WeakPolarHBondContact O-CD1 3.38Å; N41-I45 VanDerWaalsContact O-CG1 3.26Å; N41-I45 WeakPolarHBondContact O-CG1 3.45Å; N41-I45 PolarHBondContact O-N 2.92Å; N41-S66 WeakPolarHBondContact CB-O 2.81Å; N41-S66 WeakPolarHBondContact OD1-CA 3.29Å; N41-S66 WeakPolarHBondContact OD1-CB 3.49Å; N41-S66 PolarHBondContact OD1-OG 2.94Å; N41-F70 HydrophobicContact CB-CB 4.23Å; N41-P282 PolarHBondContact ND2-O 3.16Å; N41-P286 WeakPolarHBondContact ND2-CG 3.42Å; N41-P286 WeakPolarHBondContact OD1-CG 3.49Å |
| 42 | L | 97.1 | Very high | 96.1 | Very high | 73 Ų | 73 | 44.7 Ų | 44.7 | 38% | 0.382 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.8 | -38 | 172.8 | -68.4 | 179.3 | 0 | 0 | 0 | 111.8 | V38 L44 I45 F46 F70 | V38-L42 HydrophobicContact CG1-CD1 3.7Å; V38-L42 HydrophobicContact CG1-CG 4.41Å; V38-L42 WeakPolarHBondContact O-CB 3.11Å; V38-L42 VanDerWaalsContact O-CG 3.28Å; V38-L42 WeakPolarHBondContact O-CG 3.23Å; V38-L42 PolarHBondContact O-N 3.44Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-L44 PolarHBondContact O-N 2.99Å; L42-I45 HydrophobicContact CD2-CD1 4.25Å; L42-I45 PolarHBondContact O-N 3.3Å; L42-F46 WeakPolarHBondContact O-CB 3.21Å; L42-F46 PolarHBondContact O-N 3.41Å; L42-F70 HydrophobicContact CD1-CD2 4.21Å; L42-F70 HydrophobicContact CD1-CE2 3.84Å; L42-F70 HydrophobicContact CD1-CZ 4.29Å; L42-F70 HydrophobicContact CD2-CD1 4Å; L42-F70 HydrophobicContact CD2-CD2 3.96Å; L42-F70 HydrophobicContact CD2-CE1 4.08Å; L42-F70 HydrophobicContact CD2-CE2 4.05Å; L42-F70 HydrophobicContact CD2-CG 3.93Å; L42-F70 HydrophobicContact CD2-CZ 4.11Å; L42-F70 HydrophobicContact CG-CD2 3.87Å; L42-F70 HydrophobicContact CG-CE2 4Å; L42-F70 HydrophobicContact CG-CG 4.29Å |
| 43 | G | 95 | Very high | 95.9 | Very high | 29 Ų | 29 | 46.8 Ų | 46.8 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V39 N41 F46 L47 | V39-G43 WeakPolarHBondContact O-CA 3.3Å; V39-G43 PolarHBondContact O-N 3.31Å; N41-G43 VanDerWaalsContact C-N 3.28Å; N41-G43 PolarHBondContact O-N 3.49Å; G43-F46 PolarHBondContact O-N 3.15Å; G43-L47 WeakPolarHBondContact O-CB 3.43Å; G43-L47 VanDerWaalsContact O-CG 3.23Å; G43-L47 WeakPolarHBondContact O-CG 3.33Å; G43-L47 PolarHBondContact O-N 3.48Å |
| 44 | L | 94.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.8 | -44 | 178.9 | -170.7 | 51.8 | 0 | 0 | 0 | 112.3 | G40 N41 L42 F46 L47 I48 L62 S66 V296 | G40-L44 WeakPolarHBondContact O-CB 3.27Å; G40-L44 PolarHBondContact O-N 2.82Å; N41-L44 PolarHBondContact O-N 3.19Å; N41-L44 VanDerWaalsContact O-N 3.17Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-L44 PolarHBondContact O-N 2.99Å; L44-F46 VanDerWaalsContact C-N 3.32Å; L44-F46 PolarHBondContact O-N 2.95Å; L44-L47 PolarHBondContact O-N 3.08Å; L44-I48 HydrophobicContact CD1-CD1 3.81Å; L44-I48 HydrophobicContact CD1-CG1 4.1Å; L44-I48 HydrophobicContact CG-CD1 3.82Å; L44-I48 WeakPolarHBondContact O-CB 3.38Å; L44-I48 VanDerWaalsContact O-CG1 3.31Å; L44-I48 WeakPolarHBondContact O-CG1 3.43Å; L44-I48 PolarHBondContact O-N 3.34Å; L44-L62 HydrophobicContact CD1-CD2 4.26Å; L44-L62 HydrophobicContact CD2-CD1 3.74Å; L44-L62 HydrophobicContact CD2-CD2 3.75Å; L44-L62 HydrophobicContact CD2-CG 3.5Å; L44-L62 VanDerWaalsContact CD2-CG 3.5Å; L44-L62 HydrophobicContact CG-CD2 4.41Å; L44-L62 HydrophobicContact CG-CG 4.27Å; L44-S66 VanDerWaalsContact CD2-OG 3.26Å; L44-S66 WeakPolarHBondContact CD2-OG 3.18Å; L44-V296 HydrophobicContact CD1-CG1 4.3Å; L44-V296 HydrophobicContact CD1-CG2 4.45Å |
| 45 | I | 96.7 | Very high | 95.6 | Very high | 34 Ų | 34 | 47.9 Ų | 47.9 | 17% | 0.174 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -52.9 | -51.4 | 172.3 | -70.7 | 163.9 | 0 | 0 | 0 | 110.1 | N41 L42 G49 F63 V67 | N41-I45 WeakPolarHBondContact O-CD1 3.38Å; N41-I45 VanDerWaalsContact O-CG1 3.26Å; N41-I45 WeakPolarHBondContact O-CG1 3.45Å; N41-I45 PolarHBondContact O-N 2.92Å; L42-I45 HydrophobicContact CD2-CD1 4.25Å; L42-I45 PolarHBondContact O-N 3.3Å; I45-G49 PolarHBondContact O-N 3.44Å; I45-F63 HydrophobicContact CB-CD2 4.43Å; I45-F63 HydrophobicContact CB-CE2 4.19Å; I45-F63 HydrophobicContact CG1-CD2 4.48Å; I45-F63 HydrophobicContact CG1-CE2 4.46Å; I45-F63 HydrophobicContact CG2-CD2 4.29Å; I45-F63 HydrophobicContact CG2-CE2 3.57Å; I45-F63 HydrophobicContact CG2-CZ 4.05Å; I45-V67 HydrophobicContact CD1-CB 4.43Å; I45-V67 HydrophobicContact CD1-CG2 3.67Å; I45-V67 HydrophobicContact CG1-CG2 4Å |
| 46 | F | 96 | Very high | 95.5 | Very high | 95 Ų | 95 | 45.6 Ų | 45.6 | 42% | 0.417 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | -179.7 | -178.1 | -105.7 | 0 | 0 | 0 | 112.6 | L42 G43 L44 G49 L50 T303 | L42-F46 WeakPolarHBondContact O-CB 3.21Å; L42-F46 PolarHBondContact O-N 3.41Å; G43-F46 PolarHBondContact O-N 3.15Å; L44-F46 VanDerWaalsContact C-N 3.32Å; L44-F46 PolarHBondContact O-N 2.95Å; F46-G49 PolarHBondContact O-N 3.15Å; F46-L50 HydrophobicContact CD1-CD1 4.02Å; F46-L50 HydrophobicContact CD2-CD1 4.16Å; F46-L50 HydrophobicContact CD2-CG 4.25Å; F46-L50 HydrophobicContact CE1-CD1 3.38Å; F46-L50 HydrophobicContact CE1-CG 4.34Å; F46-L50 HydrophobicContact CE2-CD1 3.53Å; F46-L50 HydrophobicContact CE2-CD2 4.46Å; F46-L50 HydrophobicContact CE2-CG 3.99Å; F46-L50 HydrophobicContact CG-CD1 4.39Å; F46-L50 HydrophobicContact CZ-CD1 3.12Å; F46-L50 HydrophobicContact CZ-CG 4.07Å; F46-L50 WeakPolarHBondContact O-CB 3.5Å; F46-L50 WeakPolarHBondContact O-CG 3.5Å; F46-L50 PolarHBondContact O-N 3.28Å; F46-T303 HydrophobicContact CE1-CG2 3.9Å |
| 47 | L | 94.8 | Very high | 95.6 | Very high | 15 Ų | 15 | 43.9 Ų | 43.9 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 179.4 | -75.9 | 175.2 | 0 | 0 | 0 | 111.9 | G43 L44 N51 V296 L300 T303 | G43-L47 WeakPolarHBondContact O-CB 3.43Å; G43-L47 VanDerWaalsContact O-CG 3.23Å; G43-L47 WeakPolarHBondContact O-CG 3.33Å; G43-L47 PolarHBondContact O-N 3.48Å; L44-L47 PolarHBondContact O-N 3.08Å; L47-N51 VanDerWaalsContact O-CB 3.28Å; L47-N51 WeakPolarHBondContact O-CB 3.33Å; L47-N51 PolarHBondContact O-N 3.35Å; L47-N51 PolarHBondContact O-ND2 2.95Å; L47-V296 HydrophobicContact CD1-CG1 4.03Å; L47-L300 HydrophobicContact CD1-CB 4.23Å; L47-L300 HydrophobicContact CD1-CD1 4.32Å; L47-L300 HydrophobicContact CD2-CB 4.37Å; L47-L300 HydrophobicContact CD2-CD1 4.29Å; L47-T303 HydrophobicContact CD2-CG2 4.48Å |
| 48 | I | 95.2 | Very high | 95.4 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.6 | -48.8 | 178.1 | -65.2 | 165.6 | 0 | 0 | 0 | 109.5 | L44 L50 N51 L54 H55 Y59 L62 F63 | L44-I48 HydrophobicContact CD1-CD1 3.81Å; L44-I48 HydrophobicContact CD1-CG1 4.1Å; L44-I48 HydrophobicContact CG-CD1 3.82Å; L44-I48 WeakPolarHBondContact O-CB 3.38Å; L44-I48 VanDerWaalsContact O-CG1 3.31Å; L44-I48 WeakPolarHBondContact O-CG1 3.43Å; L44-I48 PolarHBondContact O-N 3.34Å; I48-L50 VanDerWaalsContact C-N 3.29Å; I48-L50 PolarHBondContact O-N 2.92Å; I48-N51 PolarHBondContact O-N 2.65Å; I48-L54 HydrophobicContact CG1-CD1 4.14Å; I48-H55 PolarHBondContact O-CD2 3.34Å; I48-H55 PolarHBondContact O-NE2 2.86Å; I48-H55 VanDerWaalsContact O-NE2 3.13Å; I48-Y59 HydrophobicContact CD1-CD1 4.21Å; I48-Y59 HydrophobicContact CG1-CD1 4.25Å; I48-L62 HydrophobicContact CD1-CB 4.45Å; I48-L62 HydrophobicContact CD1-CG 4.43Å; I48-F63 HydrophobicContact CB-CD2 4.17Å; I48-F63 HydrophobicContact CD1-CB 3.93Å; I48-F63 HydrophobicContact CG2-CB 4.19Å; I48-F63 HydrophobicContact CG2-CD2 4.12Å |
| 49 | G | 95 | Very high | 95.3 | Very high | 48 Ų | 48 | 44.9 Ų | 44.9 | 50% | 0.495 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.9 | -30.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | I45 F46 | I45-G49 PolarHBondContact O-N 3.44Å; F46-G49 PolarHBondContact O-N 3.15Å |
| 50 | L | 94.9 | Very high | 95.4 | Very high | 95 Ų | 95 | 43.2 Ų | 43.2 | 50% | 0.497 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -88.8 | -13.8 | 179.5 | -71.8 | -165.9 | 0 | 0 | 0 | 115.1 | F46 I48 T303 | F46-L50 HydrophobicContact CD1-CD1 4.02Å; F46-L50 HydrophobicContact CD2-CD1 4.16Å; F46-L50 HydrophobicContact CD2-CG 4.25Å; F46-L50 HydrophobicContact CE1-CD1 3.38Å; F46-L50 HydrophobicContact CE1-CG 4.34Å; F46-L50 HydrophobicContact CE2-CD1 3.53Å; F46-L50 HydrophobicContact CE2-CD2 4.46Å; F46-L50 HydrophobicContact CE2-CG 3.99Å; F46-L50 HydrophobicContact CG-CD1 4.39Å; F46-L50 HydrophobicContact CZ-CD1 3.12Å; F46-L50 HydrophobicContact CZ-CG 4.07Å; F46-L50 WeakPolarHBondContact O-CB 3.5Å; F46-L50 WeakPolarHBondContact O-CG 3.5Å; F46-L50 PolarHBondContact O-N 3.28Å; I48-L50 VanDerWaalsContact C-N 3.29Å; I48-L50 PolarHBondContact O-N 2.92Å; L50-T303 HydrophobicContact CD1-CG2 4.28Å |
| 51 | N | 94.5 | Very high | 95.5 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.027 | 24% | 0.238 | C | C | . | . | trans | -121.6 | 97.7 | -169.5 | -73.8 | -81.4 | 0 | 0 | 0 | 111 | L47 I48 H53 L54 H55 A299 T303 | L47-N51 VanDerWaalsContact O-CB 3.28Å; L47-N51 WeakPolarHBondContact O-CB 3.33Å; L47-N51 PolarHBondContact O-N 3.35Å; L47-N51 PolarHBondContact O-ND2 2.95Å; I48-N51 PolarHBondContact O-N 2.65Å; N51-H53 PolarHBondContact O-N 3.37Å; N51-L54 HydrophobicContact CB-CD1 4.05Å; N51-L54 HydrophobicContact CB-CG 4.1Å; N51-L54 WeakPolarHBondContact O-CA 3.48Å; N51-L54 WeakPolarHBondContact O-CB 3.23Å; N51-L54 PolarHBondContact O-N 3.35Å; N51-H55 PolarHBondContact O-CD2 3.15Å; N51-A299 HydrophobicContact CB-CB 4.24Å; N51-T303 PolarHBondContact ND2-OG1 3.39Å | ||
| 52 | S | 93.5 | Very high | 95.4 | Very high | 92 Ų | 92 | 42.3 Ų | 42.3 | 64% | 0.643 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -54.8 | -28.9 | -179.5 | 57.8 | 0 | 0 | 0 | 0 | 115.3 | L54 H55 | S52-L54 PolarHBondContact O-N 3.21Å; S52-H55 VanDerWaalsContact O-CB 3.32Å; S52-H55 WeakPolarHBondContact O-CB 3.37Å; S52-H55 PolarHBondContact O-N 2.92Å |
| 53 | H | 93.6 | Very high | 95.4 | Very high | 78 Ų | 78 | 41.9 Ų | 41.9 | 36% | 0.361 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -67.8 | -17.9 | 175.4 | 73.3 | -81.2 | 0 | 0 | 0 | 113.6 | N51 H55 | N51-H53 PolarHBondContact O-N 3.37Å; H53-H55 VanDerWaalsContact C-N 3.34Å |
| 54 | L | 93.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -87.6 | 0.9 | 171 | -59.7 | -179 | 0 | 0 | 0 | 111.9 | I48 N51 S52 T56 Y59 D295 A299 | I48-L54 HydrophobicContact CG1-CD1 4.14Å; N51-L54 HydrophobicContact CB-CD1 4.05Å; N51-L54 HydrophobicContact CB-CG 4.1Å; N51-L54 WeakPolarHBondContact O-CA 3.48Å; N51-L54 WeakPolarHBondContact O-CB 3.23Å; N51-L54 PolarHBondContact O-N 3.35Å; S52-L54 PolarHBondContact O-N 3.21Å; L54-T56 PolarHBondContact O-N 3.45Å; L54-Y59 HydrophobicContact CB-CD2 4.03Å; L54-Y59 HydrophobicContact CB-CG 4.12Å; L54-Y59 HydrophobicContact CD2-CD1 4.39Å; L54-Y59 HydrophobicContact CD2-CD2 3.92Å; L54-Y59 HydrophobicContact CD2-CE1 4.03Å; L54-Y59 HydrophobicContact CD2-CE2 3.52Å; L54-Y59 HydrophobicContact CD2-CG 4.38Å; L54-Y59 WeakPolarHBondContact O-CB 3.47Å; L54-Y59 WeakPolarHBondContact O-CD2 3.21Å; L54-D295 HydrophobicContact CD2-CB 3.68Å; L54-A299 HydrophobicContact CD1-CB 3.67Å; L54-A299 HydrophobicContact CG-CB 4.3Å |
| 55 | H | 95.3 | Very high | 95.7 | Very high | 124 Ų | 124 | 41.1 Ų | 41.1 | 57% | 0.574 | 22% | 0.222 | S | C | * | . | trans | -80.9 | 62.6 | 179.6 | -64.2 | -171.4 | 0 | 0 | 0 | 111.1 | I48 N51 S52 H53 | I48-H55 PolarHBondContact O-CD2 3.34Å; I48-H55 PolarHBondContact O-NE2 2.86Å; I48-H55 VanDerWaalsContact O-NE2 3.13Å; N51-H55 PolarHBondContact O-CD2 3.15Å; S52-H55 VanDerWaalsContact O-CB 3.32Å; S52-H55 WeakPolarHBondContact O-CB 3.37Å; S52-H55 PolarHBondContact O-N 2.92Å; H53-H55 VanDerWaalsContact C-N 3.34Å | ||
| 56 | T | 95.3 | Very high | 95.8 | Very high | 52 Ų | 52 | 39.6 Ų | 39.6 | 32% | 0.319 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -111.5 | 161.5 | 175.2 | 73.1 | 0 | 0 | 0 | 0 | 110.5 | L54 M58 Y59 F60 | L54-T56 PolarHBondContact O-N 3.45Å; T56-M58 VanDerWaalsContact C-N 3.34Å; T56-M58 PolarHBondContact O-N 2.79Å; T56-Y59 PolarHBondContact O-N 2.86Å; T56-Y59 VanDerWaalsContact O-N 3.12Å; T56-Y59 VanDerWaalsContact OG1-CD2 3.26Å; T56-Y59 WeakPolarHBondContact OG1-CD2 3.35Å; T56-F60 PolarHBondContact O-N 3.03Å |
| 57 | P | 96.9 | Very high | 95.9 | Very high | 25 Ų | 25 | 37.2 Ų | 37.2 | 16% | 0.162 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -50.3 | -48.1 | 176.6 | -32.4 | 38.4 | 0 | 0 | 0 | 114.3 | Y59 F60 F61 D120 Y131 M135 | P57-Y59 PolarHBondContact O-N 3.34Å; P57-F60 WeakPolarHBondContact O-CB 3.29Å; P57-F60 PolarHBondContact O-N 3.23Å; P57-F60 VanDerWaalsContact O-N 3.17Å; P57-F61 WeakPolarHBondContact O-CD2 3.48Å; P57-F61 PolarHBondContact O-N 3.48Å; P57-F61 VanDerWaalsContact O-N 3.14Å; P57-D120 WeakPolarHBondContact CB-OD1 3.37Å; P57-Y131 HydrophobicContact CG-CE1 4.4Å; P57-M135 HydrophobicContact CB-CB 3.98Å; P57-M135 HydrophobicContact CG-CB 3.87Å; P57-M135 WeakPolarHBondContact CG-O 3.39Å |
| 58 | M | 94.8 | Very high | 96.1 | Very high | 40 Ų | 40 | 36.5 Ų | 36.5 | 20% | 0.197 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -52.4 | -50.2 | 175.4 | -177.7 | -157.4 | 156.1 | 0 | 0 | 112.7 | T56 F60 F61 L62 D120 | T56-M58 VanDerWaalsContact C-N 3.34Å; T56-M58 PolarHBondContact O-N 2.79Å; M58-F60 VanDerWaalsContact C-N 3.35Å; M58-F61 PolarHBondContact O-N 3.3Å; M58-L62 PolarHBondContact O-N 3.36Å; M58-D120 WeakPolarHBondContact CB-OD2 3.41Å |
| 59 | Y | 95.2 | Very high | 96.2 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -75.7 | -24.2 | -177.9 | -76.3 | -63.6 | 0 | 0 | 0 | 112.7 | I48 L54 T56 P57 L62 F63 N293 D295 V296 | I48-Y59 HydrophobicContact CD1-CD1 4.21Å; I48-Y59 HydrophobicContact CG1-CD1 4.25Å; L54-Y59 HydrophobicContact CB-CD2 4.03Å; L54-Y59 HydrophobicContact CB-CG 4.12Å; L54-Y59 HydrophobicContact CD2-CD1 4.39Å; L54-Y59 HydrophobicContact CD2-CD2 3.92Å; L54-Y59 HydrophobicContact CD2-CE1 4.03Å; L54-Y59 HydrophobicContact CD2-CE2 3.52Å; L54-Y59 HydrophobicContact CD2-CG 4.38Å; L54-Y59 WeakPolarHBondContact O-CB 3.47Å; L54-Y59 WeakPolarHBondContact O-CD2 3.21Å; T56-Y59 PolarHBondContact O-N 2.86Å; T56-Y59 VanDerWaalsContact O-N 3.12Å; T56-Y59 VanDerWaalsContact OG1-CD2 3.26Å; T56-Y59 WeakPolarHBondContact OG1-CD2 3.35Å; P57-Y59 PolarHBondContact O-N 3.34Å; Y59-L62 HydrophobicContact CD1-CD2 3.9Å; Y59-L62 HydrophobicContact CE1-CD2 4.09Å; Y59-L62 PolarHBondContact O-N 2.97Å; Y59-F63 VanDerWaalsContact O-CB 3.3Å; Y59-F63 WeakPolarHBondContact O-CB 3.45Å; Y59-F63 PolarHBondContact O-N 2.87Å; Y59-N293 PolarHBondContact OH-ND2 2.73Å; Y59-N293 PolarHBondContact OH-OD1 2.96Å; Y59-D295 HydrophobicContact CE2-CB 4.39Å; Y59-D295 WeakPolarHBondContact OH-CB 3.3Å; Y59-D295 PolarHBondContact OH-OD2 3.49Å; Y59-V296 HydrophobicContact CE1-CG2 3.58Å |
| 60 | F | 97.5 | Very high | 96.3 | Very high | 68 Ų | 68 | 36.5 Ų | 36.5 | 30% | 0.298 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.4 | -45.5 | 170 | 171.9 | -96.5 | 0 | 0 | 0 | 111.3 | T56 P57 M58 F63 N64 C140 L144 | T56-F60 PolarHBondContact O-N 3.03Å; P57-F60 WeakPolarHBondContact O-CB 3.29Å; P57-F60 PolarHBondContact O-N 3.23Å; P57-F60 VanDerWaalsContact O-N 3.17Å; M58-F60 VanDerWaalsContact C-N 3.35Å; F60-F63 PolarHBondContact O-N 3.39Å; F60-N64 PolarHBondContact O-N 2.8Å; F60-N64 PolarHBondContact O-ND2 3Å; F60-C140 HydrophobicContact CD1-CB 3.8Å; F60-C140 HydrophobicContact CE1-CB 3.86Å; F60-L144 HydrophobicContact CE1-CB 3.98Å; F60-L144 HydrophobicContact CE1-CD2 3.87Å; F60-L144 HydrophobicContact CE1-CG 4.48Å; F60-L144 HydrophobicContact CE2-CD2 4.33Å; F60-L144 HydrophobicContact CZ-CB 4.26Å; F60-L144 HydrophobicContact CZ-CD2 3.44Å; F60-L144 VanDerWaalsContact CZ-CD2 3.44Å; F60-L144 HydrophobicContact CZ-CG 4.46Å |
| 61 | F | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.6 | -40.2 | 173.8 | -66.3 | -62.4 | 0 | 0 | 0 | 111.9 | P57 M58 F63 N64 L65 I113 A116 M117 D120 M135 C140 L143 | P57-F61 WeakPolarHBondContact O-CD2 3.48Å; P57-F61 PolarHBondContact O-N 3.48Å; P57-F61 VanDerWaalsContact O-N 3.14Å; M58-F61 PolarHBondContact O-N 3.3Å; F61-F63 VanDerWaalsContact C-N 3.32Å; F61-F63 PolarHBondContact O-N 2.97Å; F61-N64 PolarHBondContact O-N 3.31Å; F61-L65 WeakPolarHBondContact O-CB 3.38Å; F61-L65 PolarHBondContact O-N 3.1Å; F61-I113 HydrophobicContact CB-CG2 4.29Å; F61-A116 HydrophobicContact CD1-CB 4.01Å; F61-A116 HydrophobicContact CE1-CB 3.63Å; F61-A116 HydrophobicContact CE2-CB 4.42Å; F61-A116 HydrophobicContact CZ-CB 3.86Å; F61-M117 HydrophobicContact CB-CG 3.46Å; F61-M117 VanDerWaalsContact CB-CG 3.46Å; F61-M117 HydrophobicContact CB-SD 4.17Å; F61-M117 HydrophobicContact CD2-CG 4.46Å; F61-M117 HydrophobicContact CG-CG 4.1Å; F61-D120 HydrophobicContact CE2-CB 4.48Å; F61-M135 HydrophobicContact CE2-CE 3.76Å; F61-M135 HydrophobicContact CZ-CE 4.37Å; F61-C140 HydrophobicContact CE2-CB 4.5Å; F61-C140 HydrophobicContact CZ-CB 4.09Å; F61-L143 HydrophobicContact CE1-CB 4.1Å; F61-L143 HydrophobicContact CZ-CB 4.11Å; F61-L143 HydrophobicContact CZ-CD1 3.95Å |
| 62 | L | 95.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.6 | -36.5 | 177.8 | -173.8 | 57.3 | 0 | 0 | 0 | 112.7 | L44 I48 M58 Y59 L65 S66 Y289 | L44-L62 HydrophobicContact CD1-CD2 4.26Å; L44-L62 HydrophobicContact CD2-CD1 3.74Å; L44-L62 HydrophobicContact CD2-CD2 3.75Å; L44-L62 HydrophobicContact CD2-CG 3.5Å; L44-L62 VanDerWaalsContact CD2-CG 3.5Å; L44-L62 HydrophobicContact CG-CD2 4.41Å; L44-L62 HydrophobicContact CG-CG 4.27Å; I48-L62 HydrophobicContact CD1-CB 4.45Å; I48-L62 HydrophobicContact CD1-CG 4.43Å; M58-L62 PolarHBondContact O-N 3.36Å; Y59-L62 HydrophobicContact CD1-CD2 3.9Å; Y59-L62 HydrophobicContact CE1-CD2 4.09Å; Y59-L62 PolarHBondContact O-N 2.97Å; L62-L65 HydrophobicContact CD1-CD2 4.33Å; L62-L65 PolarHBondContact O-N 3.27Å; L62-S66 PolarHBondContact O-N 3.41Å; L62-S66 PolarHBondContact O-OG 3.1Å; L62-Y289 HydrophobicContact CD1-CD2 3.64Å; L62-Y289 HydrophobicContact CD1-CE2 4.49Å; L62-Y289 HydrophobicContact CD1-CG 3.74Å |
| 63 | F | 97.4 | Very high | 96.8 | Very high | 64 Ų | 64 | 29.1 Ų | 29.1 | 28% | 0.281 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -59.5 | -48.6 | 172.5 | 175.4 | -86.5 | 0 | 0 | 0 | 111.2 | I45 I48 Y59 F60 F61 S66 V67 | I45-F63 HydrophobicContact CB-CD2 4.43Å; I45-F63 HydrophobicContact CB-CE2 4.19Å; I45-F63 HydrophobicContact CG1-CD2 4.48Å; I45-F63 HydrophobicContact CG1-CE2 4.46Å; I45-F63 HydrophobicContact CG2-CD2 4.29Å; I45-F63 HydrophobicContact CG2-CE2 3.57Å; I45-F63 HydrophobicContact CG2-CZ 4.05Å; I48-F63 HydrophobicContact CB-CD2 4.17Å; I48-F63 HydrophobicContact CD1-CB 3.93Å; I48-F63 HydrophobicContact CG2-CB 4.19Å; I48-F63 HydrophobicContact CG2-CD2 4.12Å; Y59-F63 VanDerWaalsContact O-CB 3.3Å; Y59-F63 WeakPolarHBondContact O-CB 3.45Å; Y59-F63 PolarHBondContact O-N 2.87Å; F60-F63 PolarHBondContact O-N 3.39Å; F61-F63 VanDerWaalsContact C-N 3.32Å; F61-F63 PolarHBondContact O-N 2.97Å; F63-S66 PolarHBondContact O-N 3.28Å; F63-V67 HydrophobicContact CD1-CG2 4.38Å; F63-V67 HydrophobicContact CE1-CG2 4.03Å; F63-V67 HydrophobicContact CZ-CG2 4.43Å; F63-V67 WeakPolarHBondContact O-CG2 3.49Å; F63-V67 PolarHBondContact O-N 3.02Å |
| 64 | N | 98.3 | Very high | 97.1 | Very high | 15 Ų | 15 | 27.2 Ų | 27.2 | 8% | 0.08 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.3 | -39.3 | 179.7 | -77.1 | -81.7 | 0 | 0 | 0 | 112.1 | F60 F61 S66 V67 V68 I113 L144 Y148 | F60-N64 PolarHBondContact O-N 2.8Å; F60-N64 PolarHBondContact O-ND2 3Å; F61-N64 PolarHBondContact O-N 3.31Å; N64-S66 VanDerWaalsContact C-N 3.31Å; N64-S66 PolarHBondContact O-N 2.83Å; N64-V67 WeakPolarHBondContact O-CB 3.27Å; N64-V67 PolarHBondContact O-N 3.35Å; N64-V67 VanDerWaalsContact O-N 3.15Å; N64-V68 WeakPolarHBondContact O-CG2 3.17Å; N64-V68 PolarHBondContact O-N 3.45Å; N64-I113 HydrophobicContact CB-CD1 4.12Å; N64-L144 HydrophobicContact CB-CD1 3.66Å; N64-L144 VanDerWaalsContact CG-CD1 3.5Å; N64-L144 WeakPolarHBondContact ND2-CD2 3.28Å; N64-L144 WeakPolarHBondContact OD1-CD2 3.47Å; N64-Y148 PolarHBondContact OD1-OH 3.24Å |
| 65 | L | 97.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.9 | -45.9 | 172.2 | -176.4 | 62.4 | 0 | 0 | 0 | 110.7 | F61 L62 V67 V68 D69 E110 I113 L114 M117 Y289 | F61-L65 WeakPolarHBondContact O-CB 3.38Å; F61-L65 PolarHBondContact O-N 3.1Å; L62-L65 HydrophobicContact CD1-CD2 4.33Å; L62-L65 PolarHBondContact O-N 3.27Å; L65-V67 VanDerWaalsContact C-N 3.33Å; L65-V67 PolarHBondContact O-N 3.23Å; L65-V68 WeakPolarHBondContact O-CB 3.41Å; L65-V68 PolarHBondContact O-N 3.44Å; L65-D69 WeakPolarHBondContact O-CB 3.16Å; L65-D69 VanDerWaalsContact O-CG 3.24Å; L65-D69 PolarHBondContact O-N 2.95Å; L65-E110 HydrophobicContact CD1-CB 4.46Å; L65-E110 HydrophobicContact CD1-CG 3.75Å; L65-I113 HydrophobicContact CB-CG2 4Å; L65-I113 HydrophobicContact CD1-CG2 4.37Å; L65-L114 HydrophobicContact CD2-CD2 4.11Å; L65-M117 HydrophobicContact CD2-CE 4.44Å; L65-M117 HydrophobicContact CD2-SD 3.95Å; L65-Y289 HydrophobicContact CD2-CD2 4.32Å; L65-Y289 HydrophobicContact CD2-CE2 3.84Å |
| 66 | S | 98 | Very high | 97.3 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.007 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.3 | -32.7 | 176.6 | -76.7 | 0 | 0 | 0 | 0 | 114 | N41 L44 L62 F63 N64 F70 | N41-S66 WeakPolarHBondContact CB-O 2.81Å; N41-S66 WeakPolarHBondContact OD1-CA 3.29Å; N41-S66 WeakPolarHBondContact OD1-CB 3.49Å; N41-S66 PolarHBondContact OD1-OG 2.94Å; L44-S66 VanDerWaalsContact CD2-OG 3.26Å; L44-S66 WeakPolarHBondContact CD2-OG 3.18Å; L62-S66 PolarHBondContact O-N 3.41Å; L62-S66 PolarHBondContact O-OG 3.1Å; F63-S66 PolarHBondContact O-N 3.28Å; N64-S66 VanDerWaalsContact C-N 3.31Å; N64-S66 PolarHBondContact O-N 2.83Å; S66-F70 VanDerWaalsContact O-CB 3.26Å; S66-F70 WeakPolarHBondContact O-CB 3.35Å; S66-F70 PolarHBondContact O-N 3.32Å |
| 67 | V | 98.4 | Very high | 97.5 | Very high | 45 Ų | 45 | 20.5 Ų | 20.5 | 27% | 0.273 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -64.9 | -48.3 | 172.6 | 171.4 | 0 | 0 | 0 | 0 | 110 | I45 F63 N64 L65 F70 C71 | I45-V67 HydrophobicContact CD1-CB 4.43Å; I45-V67 HydrophobicContact CD1-CG2 3.67Å; I45-V67 HydrophobicContact CG1-CG2 4Å; F63-V67 HydrophobicContact CD1-CG2 4.38Å; F63-V67 HydrophobicContact CE1-CG2 4.03Å; F63-V67 HydrophobicContact CZ-CG2 4.43Å; F63-V67 WeakPolarHBondContact O-CG2 3.49Å; F63-V67 PolarHBondContact O-N 3.02Å; N64-V67 WeakPolarHBondContact O-CB 3.27Å; N64-V67 PolarHBondContact O-N 3.35Å; N64-V67 VanDerWaalsContact O-N 3.15Å; L65-V67 VanDerWaalsContact C-N 3.33Å; L65-V67 PolarHBondContact O-N 3.23Å; V67-F70 PolarHBondContact O-N 2.94Å; V67-C71 WeakPolarHBondContact O-CB 3.19Å; V67-C71 PolarHBondContact O-N 2.94Å; V67-C71 PolarHBondContact O-SG 3.13Å; V67-C71 VanDerWaalsContact O-SG 3.33Å |
| 68 | V | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.5 | -53.1 | 176.2 | 169.8 | 0 | 0 | 0 | 0 | 110.4 | N64 L65 F70 C71 F72 F106 E110 I113 Y148 | N64-V68 WeakPolarHBondContact O-CG2 3.17Å; N64-V68 PolarHBondContact O-N 3.45Å; L65-V68 WeakPolarHBondContact O-CB 3.41Å; L65-V68 PolarHBondContact O-N 3.44Å; V68-F70 VanDerWaalsContact C-N 3.33Å; V68-F70 PolarHBondContact O-N 3.16Å; V68-C71 PolarHBondContact O-N 2.83Å; V68-F72 WeakPolarHBondContact O-CB 3.49Å; V68-F72 PolarHBondContact O-N 3.37Å; V68-F106 HydrophobicContact CB-CD1 4.35Å; V68-F106 HydrophobicContact CG1-CB 3.92Å; V68-F106 HydrophobicContact CG1-CD1 4.02Å; V68-F106 HydrophobicContact CG1-CG 4.36Å; V68-F106 VanDerWaalsContact CG1-O 3.31Å; V68-F106 WeakPolarHBondContact CG1-O 3.32Å; V68-F106 HydrophobicContact CG2-CD1 4.27Å; V68-E110 HydrophobicContact CG1-CB 4.05Å; V68-I113 HydrophobicContact CG2-CD1 3.99Å; V68-Y148 HydrophobicContact CG2-CE1 3.87Å |
| 69 | D | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.2 | -44 | -179.4 | -74.7 | -8.5 | 0 | 0 | 0 | 112.6 | L65 S73 P282 N285 | L65-D69 WeakPolarHBondContact O-CB 3.16Å; L65-D69 VanDerWaalsContact O-CG 3.24Å; L65-D69 PolarHBondContact O-N 2.95Å; D69-S73 WeakPolarHBondContact O-CB 3.46Å; D69-S73 PolarHBondContact O-N 3.37Å; D69-S73 PolarHBondContact O-OG 3.5Å; D69-P282 HydrophobicContact CB-CB 3.99Å; D69-N285 PolarHBondContact OD1-ND2 3.18Å; D69-N285 VanDerWaalsContact OD2-CB 3.26Å; D69-N285 WeakPolarHBondContact OD2-CB 3.33Å; D69-N285 PolarHBondContact OD2-ND2 3.28Å |
| 70 | F | 98 | Very high | 97.6 | Very high | 56 Ų | 56 | 21.6 Ų | 21.6 | 25% | 0.246 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.7 | -50.2 | 178.1 | 167.2 | -108.3 | 0 | 0 | 0 | 111.4 | V38 N41 L42 S66 V67 V68 S74 | V38-F70 HydrophobicContact CG1-CD2 4.31Å; V38-F70 HydrophobicContact CG1-CE2 3.99Å; V38-F70 HydrophobicContact CG2-CD2 4.17Å; V38-F70 HydrophobicContact CG2-CE2 4.15Å; N41-F70 HydrophobicContact CB-CB 4.23Å; L42-F70 HydrophobicContact CD1-CD2 4.21Å; L42-F70 HydrophobicContact CD1-CE2 3.84Å; L42-F70 HydrophobicContact CD1-CZ 4.29Å; L42-F70 HydrophobicContact CD2-CD1 4Å; L42-F70 HydrophobicContact CD2-CD2 3.96Å; L42-F70 HydrophobicContact CD2-CE1 4.08Å; L42-F70 HydrophobicContact CD2-CE2 4.05Å; L42-F70 HydrophobicContact CD2-CG 3.93Å; L42-F70 HydrophobicContact CD2-CZ 4.11Å; L42-F70 HydrophobicContact CG-CD2 3.87Å; L42-F70 HydrophobicContact CG-CE2 4Å; L42-F70 HydrophobicContact CG-CG 4.29Å; S66-F70 VanDerWaalsContact O-CB 3.26Å; S66-F70 WeakPolarHBondContact O-CB 3.35Å; S66-F70 PolarHBondContact O-N 3.32Å; V67-F70 PolarHBondContact O-N 2.94Å; V68-F70 VanDerWaalsContact C-N 3.33Å; V68-F70 PolarHBondContact O-N 3.16Å; F70-S74 VanDerWaalsContact O-CB 3.32Å; F70-S74 WeakPolarHBondContact O-CB 3.37Å; F70-S74 PolarHBondContact O-N 3.39Å; F70-S74 PolarHBondContact O-OG 2.91Å |
| 71 | C | 98.3 | Very high | 97.6 | Very high | 37 Ų | 37 | 19 Ų | 19 | 25% | 0.25 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.6 | -45.4 | -178.8 | -67.9 | 0 | 0 | 0 | 0 | 111.3 | V67 V68 S73 S74 T75 F106 | V67-C71 WeakPolarHBondContact O-CB 3.19Å; V67-C71 PolarHBondContact O-N 2.94Å; V67-C71 PolarHBondContact O-SG 3.13Å; V67-C71 VanDerWaalsContact O-SG 3.33Å; V68-C71 PolarHBondContact O-N 2.83Å; C71-S73 PolarHBondContact O-N 3.01Å; C71-S74 PolarHBondContact O-N 3.42Å; C71-T75 PolarHBondContact O-N 2.99Å; C71-T75 PolarHBondContact O-OG1 3.33Å; C71-F106 HydrophobicContact CB-CD1 4.36Å; C71-F106 HydrophobicContact CB-CD2 4.26Å; C71-F106 HydrophobicContact CB-CE1 3.64Å; C71-F106 HydrophobicContact CB-CE2 3.54Å; C71-F106 HydrophobicContact CB-CZ 3.21Å |
| 72 | F | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -55.7 | -51.7 | 177.1 | -172.5 | -173.2 | 0 | 0 | 0 | 111.6 | V68 S74 T75 I76 F103 F106 V107 T278 P282 | V68-F72 WeakPolarHBondContact O-CB 3.49Å; V68-F72 PolarHBondContact O-N 3.37Å; F72-S74 VanDerWaalsContact C-N 3.29Å; F72-S74 PolarHBondContact O-N 3.47Å; F72-T75 WeakPolarHBondContact O-CB 3.42Å; F72-T75 PolarHBondContact O-N 3.02Å; F72-T75 VanDerWaalsContact O-N 3.12Å; F72-I76 HydrophobicContact CD2-CG1 3.97Å; F72-I76 HydrophobicContact CE2-CG1 3.83Å; F72-I76 PolarHBondContact O-N 3.02Å; F72-F103 HydrophobicContact CD2-CD2 4.47Å; F72-F103 AromaticContact CE2-CD2 3.41Å; F72-F103 HydrophobicContact CE2-CD2 3.41Å; F72-F103 VanDerWaalsContact CE2-CD2 3.41Å; F72-F103 HydrophobicContact CE2-CE2 4.01Å; F72-F103 HydrophobicContact CE2-CG 4.46Å; F72-F103 AromaticContact CZ-CD2 3.65Å; F72-F103 HydrophobicContact CZ-CD2 3.65Å; F72-F103 AromaticContact CZ-CE2 3.79Å; F72-F103 HydrophobicContact CZ-CE2 3.79Å; F72-F106 HydrophobicContact CB-CB 3.69Å; F72-F106 HydrophobicContact CB-CD2 4.05Å; F72-F106 HydrophobicContact CB-CG 4.01Å; F72-F106 HydrophobicContact CD1-CB 4.21Å; F72-F106 HydrophobicContact CD2-CB 4.32Å; F72-F106 HydrophobicContact CG-CB 3.83Å; F72-V107 HydrophobicContact CE1-CB 4.1Å; F72-V107 HydrophobicContact CE1-CG2 4.34Å; F72-V107 HydrophobicContact CZ-CB 4.1Å; F72-V107 HydrophobicContact CZ-CG2 4.43Å; F72-T278 HydrophobicContact CE2-CG2 4.12Å; F72-T278 HydrophobicContact CZ-CG2 3.82Å; F72-P282 HydrophobicContact CD1-CG 4.45Å |
| 73 | S | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.7 | -36.3 | 179.7 | -63 | 0 | 0 | 0 | 0 | 112.1 | T37 D69 C71 T75 I76 I77 P78 P282 | T37-S73 VanDerWaalsContact CG2-OG 3.3Å; T37-S73 WeakPolarHBondContact CG2-OG 3.17Å; D69-S73 WeakPolarHBondContact O-CB 3.46Å; D69-S73 PolarHBondContact O-N 3.37Å; D69-S73 PolarHBondContact O-OG 3.5Å; C71-S73 PolarHBondContact O-N 3.01Å; S73-T75 VanDerWaalsContact C-N 3.32Å; S73-I76 PolarHBondContact O-N 3.13Å; S73-I77 WeakPolarHBondContact O-CB 3.42Å; S73-I77 WeakPolarHBondContact O-CG1 3.18Å; S73-I77 PolarHBondContact O-N 2.97Å; S73-P78 WeakPolarHBondContact O-CD 3.42Å; S73-P282 WeakPolarHBondContact OG-CB 3.28Å |
| 74 | S | 97.9 | Very high | 97.4 | Very high | 37 Ų | 37 | 20.8 Ų | 20.8 | 26% | 0.259 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -70.6 | -26.7 | 176.9 | -58.1 | 0 | 0 | 0 | 0 | 113 | F70 C71 F72 P78 | F70-S74 VanDerWaalsContact O-CB 3.32Å; F70-S74 WeakPolarHBondContact O-CB 3.37Å; F70-S74 PolarHBondContact O-N 3.39Å; F70-S74 PolarHBondContact O-OG 2.91Å; C71-S74 PolarHBondContact O-N 3.42Å; F72-S74 VanDerWaalsContact C-N 3.29Å; F72-S74 PolarHBondContact O-N 3.47Å; S74-P78 VanDerWaalsContact O-CD 3.28Å; S74-P78 WeakPolarHBondContact O-CD 3.5Å; S74-P78 WeakPolarHBondContact O-CG 3.38Å |
| 75 | T | 97.9 | Very high | 97.2 | Very high | 35 Ų | 35 | 24.5 Ų | 24.5 | 22% | 0.215 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -73.2 | -34.5 | 174.2 | -68.6 | 0 | 0 | 0 | 0 | 112.3 | C71 F72 S73 Q99 F102 | C71-T75 PolarHBondContact O-N 2.99Å; C71-T75 PolarHBondContact O-OG1 3.33Å; F72-T75 WeakPolarHBondContact O-CB 3.42Å; F72-T75 PolarHBondContact O-N 3.02Å; F72-T75 VanDerWaalsContact O-N 3.12Å; S73-T75 VanDerWaalsContact C-N 3.32Å; T75-Q99 HydrophobicContact CG2-CB 4.44Å; T75-Q99 HydrophobicContact CG2-CG 3.87Å; T75-Q99 PolarHBondContact O-NE2 3.34Å; T75-F102 HydrophobicContact CG2-CB 3.85Å |
| 76 | I | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -101.6 | -53.6 | -171 | -60.8 | -54.1 | 0 | 0 | 0 | 113 | F72 S73 K79 M80 Q99 F103 F176 M177 | F72-I76 HydrophobicContact CD2-CG1 3.97Å; F72-I76 HydrophobicContact CE2-CG1 3.83Å; F72-I76 PolarHBondContact O-N 3.02Å; S73-I76 PolarHBondContact O-N 3.13Å; I76-K79 PolarHBondContact O-N 3.33Å; I76-M80 PolarHBondContact O-N 3.04Å; I76-M80 VanDerWaalsContact O-N 3.08Å; I76-Q99 HydrophobicContact CD1-CG 3.85Å; I76-F103 HydrophobicContact CD1-CB 4.27Å; I76-F176 HydrophobicContact CG2-CD2 4.14Å; I76-F176 HydrophobicContact CG2-CE2 3.71Å; I76-M177 HydrophobicContact CD1-CB 3.92Å; I76-M177 HydrophobicContact CD1-CG 4.35Å; I76-M177 HydrophobicContact CD1-SD 3.57Å; I76-M177 VanDerWaalsContact CD1-SD 3.57Å; I76-M177 HydrophobicContact CG1-SD 4.08Å; I76-M177 HydrophobicContact CG2-CB 4.25Å; I76-M177 HydrophobicContact CG2-SD 3.88Å |
| 77 | I | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.8 | -43.3 | -164.3 | -60.2 | 176.9 | 0 | 0 | 0 | 113.1 | Y34 S73 K79 M80 L81 I279 | Y34-I77 HydrophobicContact CD2-CB 3.9Å; Y34-I77 HydrophobicContact CD2-CD1 4.01Å; Y34-I77 HydrophobicContact CD2-CG1 4.49Å; Y34-I77 HydrophobicContact CD2-CG2 4.03Å; Y34-I77 HydrophobicContact CG-CB 4.37Å; Y34-I77 HydrophobicContact CG-CG2 3.98Å; S73-I77 WeakPolarHBondContact O-CB 3.42Å; S73-I77 WeakPolarHBondContact O-CG1 3.18Å; S73-I77 PolarHBondContact O-N 2.97Å; I77-K79 PolarHBondContact O-N 3.23Å; I77-M80 HydrophobicContact CG1-CE 4.47Å; I77-M80 HydrophobicContact CG2-CE 3.92Å; I77-M80 WeakPolarHBondContact O-CB 3.45Å; I77-M80 PolarHBondContact O-N 3.48Å; I77-M80 VanDerWaalsContact O-N 3.12Å; I77-L81 HydrophobicContact CG2-CD1 3.87Å; I77-L81 HydrophobicContact CG2-CG 3.92Å; I77-L81 WeakPolarHBondContact O-CG 3.17Å; I77-L81 PolarHBondContact O-N 3.18Å; I77-I279 HydrophobicContact CD1-CB 4.36Å; I77-I279 HydrophobicContact CD1-CG1 3.82Å; I77-I279 HydrophobicContact CD1-CG2 3.98Å; I77-I279 HydrophobicContact CG1-CD1 4.28Å; I77-I279 HydrophobicContact CG1-CG1 3.78Å |
| 78 | P | 97.3 | Very high | 96.1 | Very high | 50 Ų | 50 | 40.2 Ų | 40.2 | 33% | 0.325 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -55.8 | -40.6 | 177.6 | -28 | 37 | 0 | 0 | 0 | 112.4 | Y34 S73 S74 L81 M82 | Y34-P78 HydrophobicContact CE2-CG 4.39Å; S73-P78 WeakPolarHBondContact O-CD 3.42Å; S74-P78 VanDerWaalsContact O-CD 3.28Å; S74-P78 WeakPolarHBondContact O-CD 3.5Å; S74-P78 WeakPolarHBondContact O-CG 3.38Å; P78-L81 PolarHBondContact O-N 2.89Å; P78-M82 WeakPolarHBondContact O-CG 3.18Å; P78-M82 PolarHBondContact O-N 3.48Å; P78-M82 VanDerWaalsContact O-N 3.16Å |
| 79 | K | 96.7 | Very high | 95.9 | Very high | 43 Ų | 43 | 40.5 Ų | 40.5 | 19% | 0.187 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.9 | -36.1 | 179.7 | -169.4 | 53.1 | 168.8 | 167.7 | 0 | 112.5 | L13 I76 I77 N89 I90 I91 | L13-K79 HydrophobicContact CD1-CD 4.44Å; L13-K79 HydrophobicContact CD1-CG 3.71Å; I76-K79 PolarHBondContact O-N 3.33Å; I77-K79 PolarHBondContact O-N 3.23Å; K79-N89 WeakPolarHBondContact CD-OD1 3.29Å; K79-N89 WeakPolarHBondContact CE-OD1 3.47Å; K79-N89 PolarHBondContact NZ-OD1 3.43Å; K79-N89 PolarHBondContact O-ND2 2.93Å; K79-I90 PolarHBondContact NZ-O 3.1Å; K79-I91 HydrophobicContact CG-CD1 4.48Å |
| 80 | M | 96.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 170.6 | 177.3 | -174.7 | 68.9 | 0 | 0 | 111.4 | L16 F30 I76 I77 M82 S83 F84 F176 L275 I279 | L16-M80 HydrophobicContact CD1-SD 3.87Å; L16-M80 HydrophobicContact CG-SD 4.37Å; F30-M80 HydrophobicContact CB-CE 3.55Å; F30-M80 HydrophobicContact CD1-CE 3.54Å; F30-M80 HydrophobicContact CD1-SD 4.39Å; F30-M80 HydrophobicContact CD2-CE 4.05Å; F30-M80 HydrophobicContact CE1-CE 4.23Å; F30-M80 HydrophobicContact CG-CE 3.44Å; F30-M80 VanDerWaalsContact CG-CE 3.44Å; F30-M80 HydrophobicContact CG-SD 4.39Å; I76-M80 PolarHBondContact O-N 3.04Å; I76-M80 VanDerWaalsContact O-N 3.08Å; I77-M80 HydrophobicContact CG1-CE 4.47Å; I77-M80 HydrophobicContact CG2-CE 3.92Å; I77-M80 WeakPolarHBondContact O-CB 3.45Å; I77-M80 PolarHBondContact O-N 3.48Å; I77-M80 VanDerWaalsContact O-N 3.12Å; M80-M82 VanDerWaalsContact C-N 3.26Å; M80-M82 PolarHBondContact O-N 2.81Å; M80-S83 VanDerWaalsContact O-CB 3.25Å; M80-S83 WeakPolarHBondContact O-CB 3.24Å; M80-S83 PolarHBondContact O-N 3.3Å; M80-S83 PolarHBondContact O-OG 3.45Å; M80-F84 HydrophobicContact CG-CE2 4.13Å; M80-F84 HydrophobicContact CG-CZ 4.24Å; M80-F176 HydrophobicContact CB-CB 4.4Å; M80-F176 HydrophobicContact CB-CD2 4.13Å; M80-F176 HydrophobicContact CG-CB 3.98Å; M80-F176 HydrophobicContact CG-CD2 4.11Å; M80-F176 HydrophobicContact CG-CG 4.28Å; M80-F176 HydrophobicContact SD-CD2 3.94Å; M80-F176 HydrophobicContact SD-CE2 4.41Å; M80-F176 HydrophobicContact SD-CG 4.25Å; M80-L275 HydrophobicContact SD-CD2 4.13Å; M80-I279 HydrophobicContact CE-CD1 3.51Å; M80-I279 HydrophobicContact SD-CD1 3.62Å |
| 81 | L | 97.6 | Very high | 95.8 | Very high | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.068 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.6 | -38.2 | 179.7 | -73.2 | 174 | 0 | 0 | 0 | 112 | F27 F30 L31 I77 P78 S83 F84 | F27-L81 HydrophobicContact CD2-CB 4.17Å; F27-L81 HydrophobicContact CD2-CD2 3.92Å; F27-L81 HydrophobicContact CE2-CB 4Å; F27-L81 HydrophobicContact CE2-CD2 4.23Å; F27-L81 WeakPolarHBondContact O-CD2 3.38Å; F30-L81 HydrophobicContact CB-CD2 3.78Å; L31-L81 HydrophobicContact CB-CD1 4.41Å; L31-L81 HydrophobicContact CB-CD2 4.26Å; L31-L81 HydrophobicContact CD1-CD1 4Å; I77-L81 HydrophobicContact CG2-CD1 3.87Å; I77-L81 HydrophobicContact CG2-CG 3.92Å; I77-L81 WeakPolarHBondContact O-CG 3.17Å; I77-L81 PolarHBondContact O-N 3.18Å; P78-L81 PolarHBondContact O-N 2.89Å; L81-S83 PolarHBondContact O-N 3.13Å; L81-F84 HydrophobicContact CD2-CD2 4.24Å; L81-F84 HydrophobicContact CD2-CE2 4.3Å; L81-F84 PolarHBondContact O-N 2.88Å; L81-F84 VanDerWaalsContact O-N 3.11Å |
| 82 | M | 95.9 | Very high | 95.6 | Very high | 84 Ų | 84 | 42.9 Ų | 42.9 | 41% | 0.414 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.4 | -27.2 | 174.5 | -70.8 | -57.6 | -70.6 | 0 | 0 | 113.2 | P78 M80 F84 I85 S86 | P78-M82 WeakPolarHBondContact O-CG 3.18Å; P78-M82 PolarHBondContact O-N 3.48Å; P78-M82 VanDerWaalsContact O-N 3.16Å; M80-M82 VanDerWaalsContact C-N 3.26Å; M80-M82 PolarHBondContact O-N 2.81Å; M82-F84 VanDerWaalsContact C-N 3.26Å; M82-F84 PolarHBondContact O-N 3.45Å; M82-I85 PolarHBondContact O-N 3.44Å; M82-I85 HydrophobicContact SD-CD1 3.85Å; M82-I85 HydrophobicContact SD-CG1 4.27Å; M82-S86 WeakPolarHBondContact CE-OG 3.26Å; M82-S86 WeakPolarHBondContact O-CB 3.45Å; M82-S86 PolarHBondContact O-N 3.4Å; M82-S86 PolarHBondContact O-OG 3.06Å |
| 83 | S | 94 | Very high | 95.4 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 8% | 0.077 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.4 | -26 | 177.3 | 76.8 | 0 | 0 | 0 | 0 | 113.5 | M80 L81 | M80-S83 VanDerWaalsContact O-CB 3.25Å; M80-S83 WeakPolarHBondContact O-CB 3.24Å; M80-S83 PolarHBondContact O-N 3.3Å; M80-S83 PolarHBondContact O-OG 3.45Å; L81-S83 PolarHBondContact O-N 3.13Å |
| 84 | F | 95.1 | Very high | 95.3 | Very high | 7 Ų | 7 | 49 Ų | 49 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -81.2 | -31.1 | 179.7 | -56.9 | -56.1 | 0 | 0 | 0 | 112.9 | L16 R23 L26 F27 F30 M80 L81 M82 | L16-F84 HydrophobicContact CB-CE1 4.11Å; L16-F84 HydrophobicContact CB-CZ 4.3Å; L16-F84 HydrophobicContact CD1-CE1 4.45Å; L16-F84 HydrophobicContact CD1-CZ 3.87Å; L16-F84 HydrophobicContact CG-CZ 4.36Å; R23-F84 HydrophobicContact CB-CB 4.31Å; R23-F84 WeakPolarHBondContact CB-O 3.46Å; R23-F84 WeakPolarHBondContact CD-O 3.47Å; R23-F84 WeakPolarHBondContact O-CB 3.35Å; L26-F84 HydrophobicContact CB-CD1 4.05Å; L26-F84 HydrophobicContact CB-CE1 3.68Å; L26-F84 HydrophobicContact CB-CE2 4.38Å; L26-F84 HydrophobicContact CB-CZ 3.88Å; L26-F84 HydrophobicContact CD1-CE1 3.9Å; L26-F84 HydrophobicContact CG-CE1 4.47Å; F27-F84 HydrophobicContact CB-CB 3.82Å; F27-F84 HydrophobicContact CB-CD2 4.02Å; F27-F84 HydrophobicContact CB-CG 4.18Å; F27-F84 HydrophobicContact CD2-CB 4.24Å; F27-F84 HydrophobicContact CD2-CD2 4.3Å; F30-F84 HydrophobicContact CB-CE2 4.48Å; F30-F84 AromaticContact CD2-CE2 3.76Å; F30-F84 HydrophobicContact CD2-CE2 3.76Å; F30-F84 AromaticContact CD2-CZ 3.7Å; F30-F84 HydrophobicContact CD2-CZ 3.7Å; F30-F84 HydrophobicContact CE2-CZ 4.02Å; F30-F84 HydrophobicContact CG-CE2 4.48Å; M80-F84 HydrophobicContact CG-CE2 4.13Å; M80-F84 HydrophobicContact CG-CZ 4.24Å; L81-F84 HydrophobicContact CD2-CD2 4.24Å; L81-F84 HydrophobicContact CD2-CE2 4.3Å; L81-F84 PolarHBondContact O-N 2.88Å; L81-F84 VanDerWaalsContact O-N 3.11Å; M82-F84 VanDerWaalsContact C-N 3.26Å; M82-F84 PolarHBondContact O-N 3.45Å |
| 85 | I | 94.2 | Very high | 95.3 | Very high | 93 Ų | 93 | 48.4 Ų | 48.4 | 48% | 0.477 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -103.4 | -22.5 | -173.7 | 61.7 | 171.7 | 0 | 0 | 0 | 113.4 | F27 M82 | F27-I85 HydrophobicContact CD2-CG2 3.62Å; F27-I85 HydrophobicContact CE2-CD1 4.19Å; F27-I85 HydrophobicContact CE2-CG2 3.8Å; F27-I85 HydrophobicContact CG-CG2 4.04Å; F27-I85 HydrophobicContact CZ-CG2 4.38Å; M82-I85 PolarHBondContact O-N 3.44Å; M82-I85 HydrophobicContact SD-CD1 3.85Å; M82-I85 HydrophobicContact SD-CG1 4.27Å |
| 86 | S | 92.3 | Very high | 95.2 | Very high | 28 Ų | 28 | 46.7 Ų | 46.7 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | trans | -91.9 | 146.9 | -177.9 | -50.8 | 0 | 0 | 0 | 0 | 111.3 | M82 K88 | M82-S86 WeakPolarHBondContact CE-OG 3.26Å; M82-S86 WeakPolarHBondContact O-CB 3.45Å; M82-S86 PolarHBondContact O-N 3.4Å; M82-S86 PolarHBondContact O-OG 3.06Å; S86-K88 VanDerWaalsContact C-N 3.33Å | ||
| 87 | K | 88.8 | Confident | 95.2 | Very high | 209 Ų | 209 | 47.1 Ų | 47.1 | 91% | 0.909 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -66.5 | -36.1 | 171.9 | -68.2 | -174.6 | -179.8 | -179.3 | 0 | 112.4 | ||
| 88 | K | 90.5 | Very high | 95.2 | Very high | 141 Ų | 141 | 50.7 Ų | 50.7 | 61% | 0.613 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -136 | 129.2 | 174.2 | -66.3 | -172.9 | 176.2 | -172.3 | 0 | 109 | S86 I90 | S86-K88 VanDerWaalsContact C-N 3.33Å; K88-I90 HydrophobicContact CB-CD1 4.26Å; K88-I90 HydrophobicContact CB-CG1 3.94Å; K88-I90 PolarHBondContact O-N 3.17Å |
| 89 | N | 94.6 | Very high | 95.3 | Very high | 6 Ų | 6 | 48.8 Ų | 48.8 | 3% | 0.032 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 75.4 | 177.5 | -167.9 | 18 | 0 | 0 | 0 | 110.8 | L13 K79 | L13-N89 HydrophobicContact CB-CB 4.32Å; L13-N89 PolarHBondContact N-O 2.95Å; K79-N89 WeakPolarHBondContact CD-OD1 3.29Å; K79-N89 WeakPolarHBondContact CE-OD1 3.47Å; K79-N89 PolarHBondContact NZ-OD1 3.43Å; K79-N89 PolarHBondContact O-ND2 2.93Å |
| 90 | I | 95.9 | Very high | 95.3 | Very high | 71 Ų | 71 | 46.8 Ų | 46.8 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 132.8 | -174.5 | -55.8 | 175 | 0 | 0 | 0 | 110.4 | E10 F11 I12 K79 K88 | E10-I90 HydrophobicContact CB-CG2 3.83Å; E10-I90 HydrophobicContact CG-CG2 4.19Å; E10-I90 WeakPolarHBondContact OE2-CG2 3.43Å; F11-I90 CarbonylContact O-C 3.54Å; F11-I90 WeakPolarHBondContact O-CA 3.25Å; I12-I90 HydrophobicContact CG1-CG1 4.43Å; K79-I90 PolarHBondContact NZ-O 3.1Å; K88-I90 HydrophobicContact CB-CD1 4.26Å; K88-I90 HydrophobicContact CB-CG1 3.94Å; K88-I90 PolarHBondContact O-N 3.17Å |
| 91 | I | 96.8 | Very high | 95.4 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 9% | 0.092 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 137.6 | 172 | -169.3 | 167.6 | 0 | 0 | 0 | 109 | E10 F11 L13 K79 C96 | E10-I91 CarbonylContact C-O 3.5Å; E10-I91 VanDerWaalsContact CA-O 3.28Å; E10-I91 WeakPolarHBondContact CA-O 3.26Å; F11-I91 HydrophobicContact CB-CG2 3.83Å; F11-I91 PolarHBondContact N-O 3.31Å; F11-I91 PolarHBondContact O-N 3.4Å; L13-I91 HydrophobicContact CD1-CG2 4.4Å; L13-I91 HydrophobicContact CD2-CG2 4.28Å; L13-I91 HydrophobicContact CG-CG2 4.11Å; K79-I91 HydrophobicContact CG-CD1 4.48Å; I91-C96 HydrophobicContact CD1-CB 4.32Å; I91-C96 HydrophobicContact CG1-CB 4.43Å; I91-C96 HydrophobicContact CG2-CB 4.14Å |
| 92 | S | 96 | Very high | 95.5 | Very high | 54 Ų | 54 | 52 Ų | 52 | 38% | 0.378 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 156.5 | 174.3 | 64.1 | 0 | 0 | 0 | 0 | 110.7 | S94 G95 C96 | S92-S94 VanDerWaalsContact C-N 3.3Å; S92-S94 PolarHBondContact O-N 3.14Å; S92-S94 PolarHBondContact OG-OG 2.92Å; S92-G95 PolarHBondContact O-N 3.32Å; S92-G95 VanDerWaalsContact O-N 3.14Å; S92-G95 PolarHBondContact OG-N 3.49Å; S92-C96 WeakPolarHBondContact O-CB 3.32Å; S92-C96 PolarHBondContact O-N 2.86Å |
| 93 | H | 93.6 | Very high | 95.5 | Very high | 52 Ų | 52 | 48.1 Ų | 48.1 | 24% | 0.241 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -53.5 | -48.3 | 173.4 | 175.7 | -84.4 | 0 | 0 | 0 | 111.7 | V8 T9 F11 G95 C96 M97 F167 | V8-H93 WeakPolarHBondContact O-CB 3.38Å; T9-H93 PolarHBondContact O-N 3.31Å; F11-H93 HydrophobicContact CE2-CB 4.2Å; F11-H93 AromaticContact CE2-CD2 3.66Å; F11-H93 AromaticContact CZ-CD2 3.94Å; H93-G95 VanDerWaalsContact C-N 3.34Å; H93-G95 PolarHBondContact O-N 3.02Å; H93-C96 WeakPolarHBondContact O-CB 2.88Å; H93-C96 PolarHBondContact O-N 3.41Å; H93-M97 WeakPolarHBondContact NE2-CE 3.22Å; H93-M97 WeakPolarHBondContact O-CG 3.5Å; H93-M97 PolarHBondContact O-N 3.32Å; H93-F167 AromaticContact NE2-CE2 3.75Å |
| 94 | S | 95 | Very high | 95.7 | Very high | 78 Ų | 78 | 47.8 Ų | 47.8 | 55% | 0.545 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.6 | -39 | 177.2 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | S92 C96 M97 T98 | S92-S94 VanDerWaalsContact C-N 3.3Å; S92-S94 PolarHBondContact O-N 3.14Å; S92-S94 PolarHBondContact OG-OG 2.92Å; S94-C96 VanDerWaalsContact C-N 3.32Å; S94-M97 PolarHBondContact O-N 3.14Å; S94-T98 WeakPolarHBondContact O-CB 3.42Å; S94-T98 PolarHBondContact O-N 3.17Å; S94-T98 PolarHBondContact O-OG1 3.22Å |
| 95 | G | 96.8 | Very high | 95.8 | Very high | 23 Ų | 23 | 49.1 Ų | 49.1 | 24% | 0.237 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S92 H93 T98 Q99 | S92-G95 PolarHBondContact O-N 3.32Å; S92-G95 VanDerWaalsContact O-N 3.14Å; S92-G95 PolarHBondContact OG-N 3.49Å; H93-G95 VanDerWaalsContact C-N 3.34Å; H93-G95 PolarHBondContact O-N 3.02Å; G95-T98 PolarHBondContact O-N 3.35Å; G95-Q99 WeakPolarHBondContact O-CB 3.36Å; G95-Q99 PolarHBondContact O-N 3.12Å |
| 96 | C | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.5 | -47.1 | 176.9 | -168.7 | 0 | 0 | 0 | 0 | 112 | F11 I91 S92 H93 S94 T98 Q99 L100 C178 | F11-C96 HydrophobicContact CD2-CB 3.72Å; F11-C96 HydrophobicContact CE2-CB 4.09Å; I91-C96 HydrophobicContact CD1-CB 4.32Å; I91-C96 HydrophobicContact CG1-CB 4.43Å; I91-C96 HydrophobicContact CG2-CB 4.14Å; S92-C96 WeakPolarHBondContact O-CB 3.32Å; S92-C96 PolarHBondContact O-N 2.86Å; H93-C96 WeakPolarHBondContact O-CB 2.88Å; H93-C96 PolarHBondContact O-N 3.41Å; S94-C96 VanDerWaalsContact C-N 3.32Å; C96-T98 VanDerWaalsContact C-N 3.31Å; C96-T98 PolarHBondContact O-N 3.49Å; C96-Q99 PolarHBondContact O-N 2.96Å; C96-L100 WeakPolarHBondContact O-CB 3.49Å; C96-L100 PolarHBondContact O-N 2.91Å; C96-C178 WeakPolarHBondContact CA-SG 3.11Å; C96-C178 HydrophobicContact CB-CB 4.08Å; C96-C178 WeakPolarHBondContact CB-SG 3.37Å; C96-C178 WeakPolarHBondContact O-CB 3.42Å; C96-C178 WeakPolarHBondContact SG-CB 3.36Å; C96-C178 CovalentContact SG-SG 2.02Å; C96-C178 PolarHBondContact SG-SG 3.41Å |
| 97 | M | 97.1 | Very high | 96.2 | Very high | 9 Ų | 9 | 45.3 Ų | 45.3 | 4% | 0.044 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -37.3 | 175.6 | -63.5 | -56.6 | 156.1 | 0 | 0 | 112.1 | H93 S94 L100 F101 T159 L162 M163 F167 | H93-M97 WeakPolarHBondContact NE2-CE 3.22Å; H93-M97 WeakPolarHBondContact O-CG 3.5Å; H93-M97 PolarHBondContact O-N 3.32Å; S94-M97 PolarHBondContact O-N 3.14Å; M97-L100 PolarHBondContact O-N 2.62Å; M97-F101 WeakPolarHBondContact O-CB 3.22Å; M97-F101 PolarHBondContact O-N 3.01Å; M97-T159 HydrophobicContact CB-CG2 4.14Å; M97-L162 HydrophobicContact CE-CD2 3.77Å; M97-L162 HydrophobicContact CE-CG 4.13Å; M97-L162 HydrophobicContact SD-CB 4.44Å; M97-L162 HydrophobicContact SD-CD2 3.84Å; M97-L162 HydrophobicContact SD-CG 4.36Å; M97-M163 HydrophobicContact CG-CG 4.22Å; M97-M163 HydrophobicContact SD-CG 4.27Å; M97-F167 HydrophobicContact CE-CE2 3.86Å; M97-F167 HydrophobicContact CE-CZ 3.85Å |
| 98 | T | 97.7 | Very high | 96.6 | Very high | 74 Ų | 74 | 35.3 Ų | 35.3 | 45% | 0.454 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.4 | -44.2 | 175.1 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | S94 G95 C96 L100 F101 F102 | S94-T98 WeakPolarHBondContact O-CB 3.42Å; S94-T98 PolarHBondContact O-N 3.17Å; S94-T98 PolarHBondContact O-OG1 3.22Å; G95-T98 PolarHBondContact O-N 3.35Å; C96-T98 VanDerWaalsContact C-N 3.31Å; C96-T98 PolarHBondContact O-N 3.49Å; T98-L100 VanDerWaalsContact C-N 3.35Å; T98-F101 PolarHBondContact O-N 3.27Å; T98-F102 HydrophobicContact CG2-CD2 3.78Å; T98-F102 HydrophobicContact CG2-CE2 3.71Å; T98-F102 VanDerWaalsContact O-CD2 3.28Å; T98-F102 WeakPolarHBondContact O-CD2 3.47Å; T98-F102 PolarHBondContact O-N 3.04Å; T98-F102 VanDerWaalsContact O-N 3.1Å |
| 99 | Q | 98.4 | Very high | 97 | Very high | 11 Ų | 11 | 28.6 Ų | 28.6 | 5% | 0.051 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 175.9 | -179.7 | 175.5 | 76.5 | 0 | 0 | 111 | T75 I76 G95 C96 F102 F103 C178 | T75-Q99 HydrophobicContact CG2-CB 4.44Å; T75-Q99 HydrophobicContact CG2-CG 3.87Å; T75-Q99 PolarHBondContact O-NE2 3.34Å; I76-Q99 HydrophobicContact CD1-CG 3.85Å; G95-Q99 WeakPolarHBondContact O-CB 3.36Å; G95-Q99 PolarHBondContact O-N 3.12Å; C96-Q99 PolarHBondContact O-N 2.96Å; Q99-F102 PolarHBondContact O-N 3.46Å; Q99-F103 VanDerWaalsContact O-CB 3.27Å; Q99-F103 WeakPolarHBondContact O-CB 3Å; Q99-F103 PolarHBondContact O-N 2.91Å; Q99-C178 HydrophobicContact CB-CB 4.44Å |
| 100 | L | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 177.7 | 175.6 | 63.9 | 0 | 0 | 0 | 112 | C96 M97 T98 F103 C104 L162 I180 L183 | C96-L100 WeakPolarHBondContact O-CB 3.49Å; C96-L100 PolarHBondContact O-N 2.91Å; M97-L100 PolarHBondContact O-N 2.62Å; T98-L100 VanDerWaalsContact C-N 3.35Å; L100-F103 HydrophobicContact CD1-CD1 4.2Å; L100-F103 WeakPolarHBondContact O-CB 3.35Å; L100-F103 PolarHBondContact O-N 3.43Å; L100-C104 PolarHBondContact O-N 3.43Å; L100-C104 PolarHBondContact O-SG 2.85Å; L100-L162 HydrophobicContact CD2-CB 4.49Å; L100-L162 HydrophobicContact CD2-CD2 3.37Å; L100-I180 HydrophobicContact CD1-CG1 3.65Å; L100-L183 HydrophobicContact CD2-CD1 4.27Å |
| 101 | F | 98.4 | Very high | 97.2 | Very high | 40 Ų | 40 | 25.1 Ų | 25.1 | 18% | 0.175 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.6 | -52.5 | 178.1 | 176.4 | -89.6 | 0 | 0 | 0 | 111.3 | M97 T98 F103 C104 F105 F152 A155 M156 T159 | M97-F101 WeakPolarHBondContact O-CB 3.22Å; M97-F101 PolarHBondContact O-N 3.01Å; T98-F101 PolarHBondContact O-N 3.27Å; F101-F103 VanDerWaalsContact C-N 3.34Å; F101-F103 PolarHBondContact O-N 3.15Å; F101-C104 PolarHBondContact O-N 3.12Å; F101-F105 VanDerWaalsContact O-CB 3.31Å; F101-F105 WeakPolarHBondContact O-CB 3.38Å; F101-F105 PolarHBondContact O-N 3Å; F101-F152 HydrophobicContact CE2-CD2 4.49Å; F101-F152 HydrophobicContact CE2-CE2 4.38Å; F101-F152 AromaticContact CZ-CD2 3.83Å; F101-F152 HydrophobicContact CZ-CD2 3.83Å; F101-F152 AromaticContact CZ-CE2 3.84Å; F101-F152 HydrophobicContact CZ-CE2 3.84Å; F101-A155 HydrophobicContact CD2-CB 3.68Å; F101-A155 HydrophobicContact CE2-CB 3.68Å; F101-A155 HydrophobicContact CG-CB 4.22Å; F101-A155 HydrophobicContact CZ-CB 4.22Å; F101-A155 WeakPolarHBondContact O-CB 3.4Å; F101-M156 HydrophobicContact CE2-CE 4.22Å; F101-T159 WeakPolarHBondContact CA-OG1 3.35Å; F101-T159 HydrophobicContact CB-CG2 4.37Å |
| 102 | F | 98.6 | Very high | 97.2 | Very high | 82 Ų | 82 | 25.6 Ų | 25.6 | 36% | 0.36 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -67.1 | -35.7 | -179.7 | -79.5 | -64 | 0 | 0 | 0 | 112.3 | T75 T98 Q99 F105 F106 | T75-F102 HydrophobicContact CG2-CB 3.85Å; T98-F102 HydrophobicContact CG2-CD2 3.78Å; T98-F102 HydrophobicContact CG2-CE2 3.71Å; T98-F102 VanDerWaalsContact O-CD2 3.28Å; T98-F102 WeakPolarHBondContact O-CD2 3.47Å; T98-F102 PolarHBondContact O-N 3.04Å; T98-F102 VanDerWaalsContact O-N 3.1Å; Q99-F102 PolarHBondContact O-N 3.46Å; F102-F105 PolarHBondContact O-N 3.29Å; F102-F106 HydrophobicContact CB-CD2 4.12Å; F102-F106 HydrophobicContact CB-CE2 3.85Å; F102-F106 AromaticContact CD1-CE2 3.66Å; F102-F106 HydrophobicContact CD1-CE2 3.66Å; F102-F106 AromaticContact CD1-CZ 3.91Å; F102-F106 HydrophobicContact CD1-CZ 3.91Å; F102-F106 HydrophobicContact CG-CE2 4.12Å; F102-F106 WeakPolarHBondContact O-CB 3.36Å; F102-F106 WeakPolarHBondContact O-CD2 3.44Å; F102-F106 WeakPolarHBondContact O-CG 3.37Å; F102-F106 PolarHBondContact O-N 2.84Å |
| 103 | F | 97.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 1% | 0.013 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -55.2 | -57.2 | 171.6 | 164 | -131.8 | 0 | 0 | 0 | 111.3 | F72 I76 Q99 L100 F101 F105 F106 V107 M177 Y258 Y277 T278 | F72-F103 HydrophobicContact CD2-CD2 4.47Å; F72-F103 AromaticContact CE2-CD2 3.41Å; F72-F103 HydrophobicContact CE2-CD2 3.41Å; F72-F103 VanDerWaalsContact CE2-CD2 3.41Å; F72-F103 HydrophobicContact CE2-CE2 4.01Å; F72-F103 HydrophobicContact CE2-CG 4.46Å; F72-F103 AromaticContact CZ-CD2 3.65Å; F72-F103 HydrophobicContact CZ-CD2 3.65Å; F72-F103 AromaticContact CZ-CE2 3.79Å; F72-F103 HydrophobicContact CZ-CE2 3.79Å; I76-F103 HydrophobicContact CD1-CB 4.27Å; Q99-F103 VanDerWaalsContact O-CB 3.27Å; Q99-F103 WeakPolarHBondContact O-CB 3Å; Q99-F103 PolarHBondContact O-N 2.91Å; L100-F103 HydrophobicContact CD1-CD1 4.2Å; L100-F103 WeakPolarHBondContact O-CB 3.35Å; L100-F103 PolarHBondContact O-N 3.43Å; F101-F103 VanDerWaalsContact C-N 3.34Å; F101-F103 PolarHBondContact O-N 3.15Å; F103-F105 VanDerWaalsContact C-N 3.31Å; F103-F105 PolarHBondContact O-N 3.43Å; F103-F106 PolarHBondContact O-N 3.05Å; F103-V107 HydrophobicContact CD2-CB 4.37Å; F103-V107 HydrophobicContact CD2-CG1 4.31Å; F103-V107 HydrophobicContact CE2-CB 4.02Å; F103-V107 HydrophobicContact CE2-CG1 3.95Å; F103-V107 HydrophobicContact CE2-CG2 4.39Å; F103-V107 HydrophobicContact CZ-CG1 4.42Å; F103-V107 WeakPolarHBondContact O-CG1 3.43Å; F103-V107 PolarHBondContact O-N 3.31Å; F103-M177 HydrophobicContact CD1-CE 4.19Å; F103-M177 HydrophobicContact CD2-CE 4.36Å; F103-M177 HydrophobicContact CE1-CE 3.81Å; F103-M177 HydrophobicContact CE2-CE 3.99Å; F103-M177 HydrophobicContact CG-CE 4.46Å; F103-M177 HydrophobicContact CZ-CE 3.7Å; F103-Y258 WeakPolarHBondContact CE1-OH 3.14Å; F103-Y258 WeakPolarHBondContact CZ-OH 3.45Å; F103-Y277 HydrophobicContact CE2-CD2 4.31Å; F103-Y277 AromaticContact CE2-CE2 3.65Å; F103-Y277 HydrophobicContact CE2-CE2 3.65Å; F103-Y277 AromaticContact CZ-CE2 3.69Å; F103-Y277 HydrophobicContact CZ-CE2 3.69Å; F103-T278 HydrophobicContact CE2-CG2 4.27Å |
| 104 | C | 96.7 | Very high | 97.5 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 3% | 0.027 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.3 | -43.8 | -179.7 | -61.8 | 0 | 0 | 0 | 0 | 111 | L100 F101 F106 V108 A155 | L100-C104 PolarHBondContact O-N 3.43Å; L100-C104 PolarHBondContact O-SG 2.85Å; F101-C104 PolarHBondContact O-N 3.12Å; C104-F106 PolarHBondContact O-N 2.88Å; C104-V108 WeakPolarHBondContact O-CB 3.12Å; C104-V108 WeakPolarHBondContact O-CG2 3.08Å; C104-V108 PolarHBondContact O-N 3.38Å; C104-A155 HydrophobicContact CB-CB 3.79Å |
| 105 | F | 98.4 | Very high | 97.6 | Very high | 36 Ų | 36 | 17.4 Ų | 17.4 | 16% | 0.158 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.1 | -48.7 | 179.8 | 174.5 | -110.7 | 0 | 0 | 0 | 111.6 | F101 F102 F103 S109 Y148 F152 A155 | F101-F105 VanDerWaalsContact O-CB 3.31Å; F101-F105 WeakPolarHBondContact O-CB 3.38Å; F101-F105 PolarHBondContact O-N 3Å; F102-F105 PolarHBondContact O-N 3.29Å; F103-F105 VanDerWaalsContact C-N 3.31Å; F103-F105 PolarHBondContact O-N 3.43Å; F105-S109 VanDerWaalsContact O-CB 3.23Å; F105-S109 WeakPolarHBondContact O-CB 3.45Å; F105-S109 PolarHBondContact O-N 3.27Å; F105-S109 PolarHBondContact O-OG 2.86Å; F105-Y148 HydrophobicContact CE2-CD1 4.3Å; F105-Y148 WeakPolarHBondContact CE2-O 3.49Å; F105-Y148 AromaticContact CZ-CD1 3.77Å; F105-Y148 HydrophobicContact CZ-CD1 3.77Å; F105-Y148 HydrophobicContact CZ-CE1 4.41Å; F105-Y148 HydrophobicContact CZ-CG 4.29Å; F105-F152 HydrophobicContact CD2-CB 4.19Å; F105-F152 HydrophobicContact CE2-CB 4.18Å; F105-A155 HydrophobicContact CB-CB 3.96Å |
| 106 | F | 98.3 | Very high | 97.7 | Very high | 16 Ų | 16 | 16.6 Ų | 16.6 | 7% | 0.07 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -75 | -42.6 | -175.4 | -69.6 | -49.8 | 0 | 0 | 0 | 113.2 | V68 C71 F72 F102 F103 C104 V108 S109 E110 | V68-F106 HydrophobicContact CB-CD1 4.35Å; V68-F106 HydrophobicContact CG1-CB 3.92Å; V68-F106 HydrophobicContact CG1-CD1 4.02Å; V68-F106 HydrophobicContact CG1-CG 4.36Å; V68-F106 VanDerWaalsContact CG1-O 3.31Å; V68-F106 WeakPolarHBondContact CG1-O 3.32Å; V68-F106 HydrophobicContact CG2-CD1 4.27Å; C71-F106 HydrophobicContact CB-CD1 4.36Å; C71-F106 HydrophobicContact CB-CD2 4.26Å; C71-F106 HydrophobicContact CB-CE1 3.64Å; C71-F106 HydrophobicContact CB-CE2 3.54Å; C71-F106 HydrophobicContact CB-CZ 3.21Å; F72-F106 HydrophobicContact CB-CB 3.69Å; F72-F106 HydrophobicContact CB-CD2 4.05Å; F72-F106 HydrophobicContact CB-CG 4.01Å; F72-F106 HydrophobicContact CD1-CB 4.21Å; F72-F106 HydrophobicContact CD2-CB 4.32Å; F72-F106 HydrophobicContact CG-CB 3.83Å; F102-F106 HydrophobicContact CB-CD2 4.12Å; F102-F106 HydrophobicContact CB-CE2 3.85Å; F102-F106 AromaticContact CD1-CE2 3.66Å; F102-F106 HydrophobicContact CD1-CE2 3.66Å; F102-F106 AromaticContact CD1-CZ 3.91Å; F102-F106 HydrophobicContact CD1-CZ 3.91Å; F102-F106 HydrophobicContact CG-CE2 4.12Å; F102-F106 WeakPolarHBondContact O-CB 3.36Å; F102-F106 WeakPolarHBondContact O-CD2 3.44Å; F102-F106 WeakPolarHBondContact O-CG 3.37Å; F102-F106 PolarHBondContact O-N 2.84Å; F103-F106 PolarHBondContact O-N 3.05Å; C104-F106 PolarHBondContact O-N 2.88Å; F106-V108 VanDerWaalsContact C-N 3.31Å; F106-V108 PolarHBondContact O-N 2.95Å; F106-S109 PolarHBondContact O-N 2.87Å; F106-E110 WeakPolarHBondContact O-CB 3.42Å; F106-E110 PolarHBondContact O-N 3.43Å |
| 107 | V | 96.2 | Very high | 97.7 | Very high | 24 Ų | 24 | 16.6 Ų | 16.6 | 15% | 0.145 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.8 | -40.5 | -179.3 | 71.6 | 0 | 0 | 0 | 0 | 111.4 | F72 F103 E110 T111 Y277 | F72-V107 HydrophobicContact CE1-CB 4.1Å; F72-V107 HydrophobicContact CE1-CG2 4.34Å; F72-V107 HydrophobicContact CZ-CB 4.1Å; F72-V107 HydrophobicContact CZ-CG2 4.43Å; F103-V107 HydrophobicContact CD2-CB 4.37Å; F103-V107 HydrophobicContact CD2-CG1 4.31Å; F103-V107 HydrophobicContact CE2-CB 4.02Å; F103-V107 HydrophobicContact CE2-CG1 3.95Å; F103-V107 HydrophobicContact CE2-CG2 4.39Å; F103-V107 HydrophobicContact CZ-CG1 4.42Å; F103-V107 WeakPolarHBondContact O-CG1 3.43Å; F103-V107 PolarHBondContact O-N 3.31Å; V107-E110 WeakPolarHBondContact O-CB 3.39Å; V107-E110 PolarHBondContact O-N 2.84Å; V107-T111 WeakPolarHBondContact O-CG2 3.35Å; V107-T111 PolarHBondContact O-N 2.88Å; V107-T111 VanDerWaalsContact O-N 3.09Å; V107-Y277 HydrophobicContact CG2-CD2 4.33Å |
| 108 | V | 96.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -72.6 | -40.6 | 177.2 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | C104 F106 E110 T111 F112 M150 G151 E154 | C104-V108 WeakPolarHBondContact O-CB 3.12Å; C104-V108 WeakPolarHBondContact O-CG2 3.08Å; C104-V108 PolarHBondContact O-N 3.38Å; F106-V108 VanDerWaalsContact C-N 3.31Å; F106-V108 PolarHBondContact O-N 2.95Å; V108-E110 PolarHBondContact O-N 3.48Å; V108-T111 PolarHBondContact O-N 3.01Å; V108-T111 PolarHBondContact O-OG1 3.49Å; V108-F112 HydrophobicContact CG1-CD2 3.86Å; V108-F112 HydrophobicContact CG1-CE2 3.89Å; V108-F112 WeakPolarHBondContact O-CD2 3.49Å; V108-F112 PolarHBondContact O-N 3.3Å; V108-F112 VanDerWaalsContact O-N 3.16Å; V108-M150 HydrophobicContact CG1-CB 4.31Å; V108-G151 VanDerWaalsContact CG1-CA 3.43Å; V108-E154 WeakPolarHBondContact CG1-OE2 3.39Å; V108-E154 HydrophobicContact CG2-CB 4.21Å; V108-E154 HydrophobicContact CG2-CG 3.82Å; V108-E154 WeakPolarHBondContact CG2-OE2 3.31Å |
| 109 | S | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.9 | -38.6 | 174.6 | -61 | 0 | 0 | 0 | 0 | 111.3 | F105 F106 I113 Y148 | F105-S109 VanDerWaalsContact O-CB 3.23Å; F105-S109 WeakPolarHBondContact O-CB 3.45Å; F105-S109 PolarHBondContact O-N 3.27Å; F105-S109 PolarHBondContact O-OG 2.86Å; F106-S109 PolarHBondContact O-N 2.87Å; S109-I113 WeakPolarHBondContact O-CB 3.46Å; S109-I113 WeakPolarHBondContact O-CD1 3.34Å; S109-I113 WeakPolarHBondContact O-CG1 3.35Å; S109-I113 PolarHBondContact O-N 3.35Å; S109-Y148 WeakPolarHBondContact OG-CD1 2.89Å |
| 110 | E | 97.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.8 | -48.4 | 174.9 | -179.8 | 174.2 | -167.2 | 0 | 0 | 112.1 | L65 V68 F106 V107 V108 F112 I113 L114 L250 V281 N285 | L65-E110 HydrophobicContact CD1-CB 4.46Å; L65-E110 HydrophobicContact CD1-CG 3.75Å; V68-E110 HydrophobicContact CG1-CB 4.05Å; F106-E110 WeakPolarHBondContact O-CB 3.42Å; F106-E110 PolarHBondContact O-N 3.43Å; V107-E110 WeakPolarHBondContact O-CB 3.39Å; V107-E110 PolarHBondContact O-N 2.84Å; V108-E110 PolarHBondContact O-N 3.48Å; E110-F112 VanDerWaalsContact C-N 3.34Å; E110-F112 PolarHBondContact O-N 2.91Å; E110-I113 PolarHBondContact O-N 3.45Å; E110-L114 HydrophobicContact CG-CD1 4.11Å; E110-L114 HydrophobicContact CG-CG 4.42Å; E110-L114 WeakPolarHBondContact O-CB 3.28Å; E110-L114 WeakPolarHBondContact O-CG 3.08Å; E110-L114 PolarHBondContact O-N 3.48Å; E110-L250 HydrophobicContact CG-CD2 3.94Å; E110-V281 WeakPolarHBondContact OE1-CG1 3.24Å; E110-N285 PolarHBondContact OE1-ND2 2.81Å |
| 111 | T | 97.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 17 Ų | 17 | 3% | 0.025 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.2 | -44.8 | 179.9 | 58.6 | 0 | 0 | 0 | 0 | 111.7 | V107 V108 L114 S115 D205 L250 F251 | V107-T111 WeakPolarHBondContact O-CG2 3.35Å; V107-T111 PolarHBondContact O-N 2.88Å; V107-T111 VanDerWaalsContact O-N 3.09Å; V108-T111 PolarHBondContact O-N 3.01Å; V108-T111 PolarHBondContact O-OG1 3.49Å; T111-L114 PolarHBondContact O-N 3.46Å; T111-S115 PolarHBondContact O-N 3.02Å; T111-D205 PolarHBondContact OG1-OD1 3.46Å; T111-L250 HydrophobicContact CG2-CD2 3.85Å; T111-F251 HydrophobicContact CG2-CE1 3.75Å; T111-F251 HydrophobicContact CG2-CE2 4.38Å; T111-F251 HydrophobicContact CG2-CZ 3.65Å |
| 112 | F | 98 | Very high | 97.5 | Very high | 28 Ų | 28 | 17.4 Ų | 17.4 | 12% | 0.123 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -73.2 | -34.5 | 178.8 | -79.5 | -85.1 | 0 | 0 | 0 | 113.2 | V108 E110 S115 A116 A147 M150 D205 V208 P209 | V108-F112 HydrophobicContact CG1-CD2 3.86Å; V108-F112 HydrophobicContact CG1-CE2 3.89Å; V108-F112 WeakPolarHBondContact O-CD2 3.49Å; V108-F112 PolarHBondContact O-N 3.3Å; V108-F112 VanDerWaalsContact O-N 3.16Å; E110-F112 VanDerWaalsContact C-N 3.34Å; E110-F112 PolarHBondContact O-N 2.91Å; F112-S115 WeakPolarHBondContact O-CB 3.44Å; F112-S115 PolarHBondContact O-N 2.87Å; F112-A116 PolarHBondContact O-N 3.08Å; F112-A147 HydrophobicContact CB-CB 3.48Å; F112-A147 VanDerWaalsContact CB-CB 3.48Å; F112-M150 HydrophobicContact CD1-CG 4.5Å; F112-M150 HydrophobicContact CD2-CB 3.96Å; F112-M150 HydrophobicContact CD2-CG 4.45Å; F112-M150 HydrophobicContact CE1-CG 4.11Å; F112-M150 HydrophobicContact CE2-CB 3.75Å; F112-M150 HydrophobicContact CE2-CE 4.4Å; F112-M150 HydrophobicContact CE2-CG 4.07Å; F112-M150 HydrophobicContact CG-CB 4.49Å; F112-M150 HydrophobicContact CZ-CB 4.1Å; F112-M150 HydrophobicContact CZ-CE 4.02Å; F112-M150 HydrophobicContact CZ-CG 3.89Å; F112-D205 WeakPolarHBondContact CE2-OD1 3.22Å; F112-V208 HydrophobicContact CE1-CB 4.44Å; F112-V208 HydrophobicContact CE1-CG1 3.84Å; F112-V208 HydrophobicContact CZ-CB 4.45Å; F112-V208 HydrophobicContact CZ-CG1 4.3Å; F112-P209 HydrophobicContact CD1-CG 4.17Å; F112-P209 HydrophobicContact CD2-CG 4.18Å; F112-P209 HydrophobicContact CE1-CG 4.01Å; F112-P209 HydrophobicContact CE2-CG 4.01Å; F112-P209 HydrophobicContact CG-CG 4.26Å; F112-P209 HydrophobicContact CZ-CG 3.92Å |
| 113 | I | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -64.4 | -43.2 | 172.3 | -72.8 | 166.4 | 0 | 0 | 0 | 110.4 | F61 N64 L65 V68 S109 E110 S115 A116 M117 L144 A147 Y148 | F61-I113 HydrophobicContact CB-CG2 4.29Å; N64-I113 HydrophobicContact CB-CD1 4.12Å; L65-I113 HydrophobicContact CB-CG2 4Å; L65-I113 HydrophobicContact CD1-CG2 4.37Å; V68-I113 HydrophobicContact CG2-CD1 3.99Å; S109-I113 WeakPolarHBondContact O-CB 3.46Å; S109-I113 WeakPolarHBondContact O-CD1 3.34Å; S109-I113 WeakPolarHBondContact O-CG1 3.35Å; S109-I113 PolarHBondContact O-N 3.35Å; E110-I113 PolarHBondContact O-N 3.45Å; I113-S115 VanDerWaalsContact C-N 3.29Å; I113-S115 PolarHBondContact O-N 2.98Å; I113-A116 WeakPolarHBondContact O-CB 3.34Å; I113-A116 PolarHBondContact O-N 3.09Å; I113-M117 HydrophobicContact CG2-CG 4.38Å; I113-M117 HydrophobicContact CG2-SD 4.08Å; I113-M117 VanDerWaalsContact O-CG 3.29Å; I113-M117 WeakPolarHBondContact O-CG 3.15Å; I113-M117 PolarHBondContact O-N 2.93Å; I113-L144 HydrophobicContact CD1-CD1 4.14Å; I113-L144 HydrophobicContact CG1-CD1 4.23Å; I113-A147 HydrophobicContact CG1-CB 4.09Å; I113-Y148 HydrophobicContact CD1-CE1 4.34Å |
| 114 | L | 97.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.6 | -37.4 | 175.2 | -70.1 | 175.3 | 0 | 0 | 0 | 111.9 | L65 E110 T111 M117 A118 H243 V246 L250 | L65-L114 HydrophobicContact CD2-CD2 4.11Å; E110-L114 HydrophobicContact CG-CD1 4.11Å; E110-L114 HydrophobicContact CG-CG 4.42Å; E110-L114 WeakPolarHBondContact O-CB 3.28Å; E110-L114 WeakPolarHBondContact O-CG 3.08Å; E110-L114 PolarHBondContact O-N 3.48Å; T111-L114 PolarHBondContact O-N 3.46Å; L114-M117 HydrophobicContact CD2-SD 4.24Å; L114-M117 PolarHBondContact O-N 3.28Å; L114-A118 PolarHBondContact O-N 2.89Å; L114-H243 PolarHBondContact O-CE1 2.7Å; L114-H243 VanDerWaalsContact O-CE1 3.31Å; L114-H243 PolarHBondContact O-NE2 2.84Å; L114-H243 VanDerWaalsContact O-NE2 3.14Å; L114-V246 HydrophobicContact CD1-CG1 4.03Å; L114-V246 HydrophobicContact CD2-CG1 4.09Å; L114-L250 HydrophobicContact CD1-CD2 3.51Å |
| 115 | S | 97.9 | Very high | 97.2 | Very high | 11 Ų | 11 | 16.7 Ų | 16.7 | 8% | 0.077 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.6 | -45.7 | 171.8 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | T111 F112 I113 M117 A118 Y119 S212 | T111-S115 PolarHBondContact O-N 3.02Å; F112-S115 WeakPolarHBondContact O-CB 3.44Å; F112-S115 PolarHBondContact O-N 2.87Å; I113-S115 VanDerWaalsContact C-N 3.29Å; I113-S115 PolarHBondContact O-N 2.98Å; S115-M117 VanDerWaalsContact C-N 3.3Å; S115-M117 PolarHBondContact O-N 3.12Å; S115-A118 WeakPolarHBondContact O-CB 3.43Å; S115-A118 PolarHBondContact O-N 3.43Å; S115-A118 VanDerWaalsContact O-N 3.1Å; S115-Y119 PolarHBondContact O-N 2.87Å; S115-S212 WeakPolarHBondContact OG-CB 3.23Å; S115-S212 PolarHBondContact OG-OG 2.97Å |
| 116 | A | 98.2 | Very high | 97 | Very high | 6 Ų | 6 | 16.4 Ų | 16.4 | 5% | 0.05 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.4 | -37.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F61 F112 I113 A118 Y119 D120 L143 | F61-A116 HydrophobicContact CD1-CB 4.01Å; F61-A116 HydrophobicContact CE1-CB 3.63Å; F61-A116 HydrophobicContact CE2-CB 4.42Å; F61-A116 HydrophobicContact CZ-CB 3.86Å; F112-A116 PolarHBondContact O-N 3.08Å; I113-A116 WeakPolarHBondContact O-CB 3.34Å; I113-A116 PolarHBondContact O-N 3.09Å; A116-A118 VanDerWaalsContact C-N 3.33Å; A116-A118 PolarHBondContact O-N 3.29Å; A116-Y119 PolarHBondContact O-N 3.36Å; A116-D120 WeakPolarHBondContact O-CB 3.33Å; A116-D120 PolarHBondContact O-N 3.41Å; A116-L143 HydrophobicContact CB-CB 4.27Å; A116-L143 HydrophobicContact CB-CD1 4.39Å |
| 117 | M | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.8 | -28.6 | 173.9 | -71.4 | 177.5 | 69.1 | 0 | 0 | 113.2 | F61 L65 I113 L114 S115 R121 Y289 | F61-M117 HydrophobicContact CB-CG 3.46Å; F61-M117 VanDerWaalsContact CB-CG 3.46Å; F61-M117 HydrophobicContact CB-SD 4.17Å; F61-M117 HydrophobicContact CD2-CG 4.46Å; F61-M117 HydrophobicContact CG-CG 4.1Å; L65-M117 HydrophobicContact CD2-CE 4.44Å; L65-M117 HydrophobicContact CD2-SD 3.95Å; I113-M117 HydrophobicContact CG2-CG 4.38Å; I113-M117 HydrophobicContact CG2-SD 4.08Å; I113-M117 VanDerWaalsContact O-CG 3.29Å; I113-M117 WeakPolarHBondContact O-CG 3.15Å; I113-M117 PolarHBondContact O-N 2.93Å; L114-M117 HydrophobicContact CD2-SD 4.24Å; L114-M117 PolarHBondContact O-N 3.28Å; S115-M117 VanDerWaalsContact C-N 3.3Å; S115-M117 PolarHBondContact O-N 3.12Å; M117-R121 WeakPolarHBondContact O-CG 3.43Å; M117-R121 PolarHBondContact O-N 3.43Å; M117-R121 PolarHBondContact O-NH1 3.42Å; M117-Y289 HydrophobicContact CE-CD1 4.46Å; M117-Y289 HydrophobicContact CE-CE1 4.01Å; M117-Y289 HydrophobicContact CE-CE2 4.38Å |
| 118 | A | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -70.1 | -43.2 | 171 | 0 | 0 | 0 | 0 | 0 | 111 | L114 S115 A116 R121 Y122 I213 Y217 | L114-A118 PolarHBondContact O-N 2.89Å; S115-A118 WeakPolarHBondContact O-CB 3.43Å; S115-A118 PolarHBondContact O-N 3.43Å; S115-A118 VanDerWaalsContact O-N 3.1Å; A116-A118 VanDerWaalsContact C-N 3.33Å; A116-A118 PolarHBondContact O-N 3.29Å; A118-R121 PolarHBondContact O-N 2.94Å; A118-Y122 PolarHBondContact O-N 3.23Å; A118-I213 HydrophobicContact CB-CB 4.33Å; A118-I213 HydrophobicContact CB-CG1 3.87Å; A118-I213 HydrophobicContact CB-CG2 4.4Å; A118-Y217 HydrophobicContact CB-CD2 4.17Å; A118-Y217 HydrophobicContact CB-CE2 3.74Å |
| 119 | Y | 97.7 | Very high | 96.6 | Very high | 80 Ų | 80 | 29.7 Ų | 29.7 | 31% | 0.314 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.8 | -44.3 | 175.4 | -177.1 | -107.3 | 0 | 0 | 0 | 112.1 | S115 A116 R121 Y122 V123 T134 M135 L143 | S115-Y119 PolarHBondContact O-N 2.87Å; A116-Y119 PolarHBondContact O-N 3.36Å; Y119-R121 VanDerWaalsContact C-N 3.35Å; Y119-R121 PolarHBondContact O-N 2.86Å; Y119-Y122 AromaticContact CD2-CD1 3.88Å; Y119-Y122 HydrophobicContact CD2-CD1 3.88Å; Y119-Y122 HydrophobicContact CD2-CE1 4.46Å; Y119-Y122 AromaticContact CE2-CD1 3.86Å; Y119-Y122 HydrophobicContact CE2-CD1 3.86Å; Y119-Y122 HydrophobicContact CE2-CE1 4Å; Y119-Y122 WeakPolarHBondContact O-CB 3.49Å; Y119-Y122 PolarHBondContact O-N 2.99Å; Y119-Y122 VanDerWaalsContact O-N 3.1Å; Y119-V123 HydrophobicContact CD1-CG2 4.3Å; Y119-V123 HydrophobicContact CE1-CG2 3.86Å; Y119-V123 HydrophobicContact CE2-CG2 4.1Å; Y119-V123 WeakPolarHBondContact O-CG2 3.49Å; Y119-V123 PolarHBondContact O-N 3.1Å; Y119-T134 HydrophobicContact CE1-CG2 4.46Å; Y119-M135 HydrophobicContact CD1-CE 4.15Å; Y119-M135 HydrophobicContact CD1-SD 3.66Å; Y119-M135 HydrophobicContact CE1-SD 3.61Å; Y119-L143 HydrophobicContact CD1-CD1 4.35Å |
| 120 | D | 97.1 | Very high | 96.4 | Very high | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.027 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -51.2 | -51.6 | 172.7 | 176 | 73.9 | 0 | 0 | 0 | 112 | P57 M58 F61 A116 Y122 V123 A124 Y131 M135 | P57-D120 WeakPolarHBondContact CB-OD1 3.37Å; M58-D120 WeakPolarHBondContact CB-OD2 3.41Å; F61-D120 HydrophobicContact CE2-CB 4.48Å; A116-D120 WeakPolarHBondContact O-CB 3.33Å; A116-D120 PolarHBondContact O-N 3.41Å; D120-Y122 VanDerWaalsContact C-N 3.32Å; D120-Y122 PolarHBondContact O-N 3.47Å; D120-V123 PolarHBondContact O-N 2.85Å; D120-A124 WeakPolarHBondContact O-CB 3.44Å; D120-A124 PolarHBondContact O-N 2.84Å; D120-Y131 WeakPolarHBondContact OD1-CE2 3.36Å; D120-Y131 PolarHBondContact OD1-OH 3.17Å; D120-Y131 VanDerWaalsContact OD1-OH 3.1Å; D120-M135 VanDerWaalsContact CA-CE 3.44Å; D120-M135 HydrophobicContact CB-CE 3.48Å; D120-M135 VanDerWaalsContact CB-CE 3.48Å |
| 121 | R | 95.6 | Very high | 96.4 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 6% | 0.06 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.4 | -40.7 | 177.1 | -74.6 | 179.3 | -179.9 | 79 | 0.7 | 112.2 | M117 A118 Y119 A124 I125 I220 T239 H243 | M117-R121 WeakPolarHBondContact O-CG 3.43Å; M117-R121 PolarHBondContact O-N 3.43Å; M117-R121 PolarHBondContact O-NH1 3.42Å; A118-R121 PolarHBondContact O-N 2.94Å; Y119-R121 VanDerWaalsContact C-N 3.35Å; Y119-R121 PolarHBondContact O-N 2.86Å; R121-A124 PolarHBondContact O-N 2.77Å; R121-I125 WeakPolarHBondContact O-CB 3.5Å; R121-I125 VanDerWaalsContact O-CG1 3.26Å; R121-I125 WeakPolarHBondContact O-CG1 3.47Å; R121-I125 PolarHBondContact O-N 3.44Å; R121-I220 HydrophobicContact CB-CD1 4.05Å; R121-T239 PolarHBondContact NE-O 2.95Å; R121-H243 PolarHBondContact NH1-CD2 2.93Å |
| 122 | Y | 96.6 | Very high | 96.3 | Very high | 50 Ų | 50 | 41.7 Ų | 41.7 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.7 | -51.4 | 177.3 | 153 | -105.2 | 0 | 0 | 0 | 110.7 | A118 Y119 D120 A124 I125 C126 N127 L219 | A118-Y122 PolarHBondContact O-N 3.23Å; Y119-Y122 AromaticContact CD2-CD1 3.88Å; Y119-Y122 HydrophobicContact CD2-CD1 3.88Å; Y119-Y122 HydrophobicContact CD2-CE1 4.46Å; Y119-Y122 AromaticContact CE2-CD1 3.86Å; Y119-Y122 HydrophobicContact CE2-CD1 3.86Å; Y119-Y122 HydrophobicContact CE2-CE1 4Å; Y119-Y122 WeakPolarHBondContact O-CB 3.49Å; Y119-Y122 PolarHBondContact O-N 2.99Å; Y119-Y122 VanDerWaalsContact O-N 3.1Å; D120-Y122 VanDerWaalsContact C-N 3.32Å; D120-Y122 PolarHBondContact O-N 3.47Å; Y122-A124 PolarHBondContact O-N 2.94Å; Y122-I125 PolarHBondContact O-N 3.24Å; Y122-C126 HydrophobicContact CD2-CB 3.87Å; Y122-C126 VanDerWaalsContact CD2-SG 3.59Å; Y122-C126 HydrophobicContact CE2-CB 3.66Å; Y122-C126 VanDerWaalsContact O-CB 3.23Å; Y122-C126 WeakPolarHBondContact O-CB 3.21Å; Y122-C126 PolarHBondContact O-N 3.19Å; Y122-C126 PolarHBondContact O-SG 3.25Å; Y122-N127 PolarHBondContact OH-ND2 3.06Å; Y122-L219 HydrophobicContact CD2-CB 3.8Å; Y122-L219 HydrophobicContact CD2-CD1 4.05Å; Y122-L219 HydrophobicContact CE2-CB 3.81Å; Y122-L219 HydrophobicContact CE2-CD1 3.56Å; Y122-L219 HydrophobicContact CE2-CG 4.32Å |
| 123 | V | 97.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.1 | -44.7 | -179.7 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | Y119 D120 I125 N127 Y131 T134 M135 | Y119-V123 HydrophobicContact CD1-CG2 4.3Å; Y119-V123 HydrophobicContact CE1-CG2 3.86Å; Y119-V123 HydrophobicContact CE2-CG2 4.1Å; Y119-V123 WeakPolarHBondContact O-CG2 3.49Å; Y119-V123 PolarHBondContact O-N 3.1Å; D120-V123 PolarHBondContact O-N 2.85Å; V123-I125 VanDerWaalsContact C-N 3.28Å; V123-I125 PolarHBondContact O-N 3.45Å; V123-N127 HydrophobicContact CG1-CB 4.5Å; V123-N127 CarbonylContact O-C 3.59Å; V123-N127 WeakPolarHBondContact O-CA 3.4Å; V123-N127 PolarHBondContact O-N 3.09Å; V123-Y131 HydrophobicContact CB-CD2 4.19Å; V123-Y131 HydrophobicContact CG1-CD2 3.89Å; V123-T134 HydrophobicContact CB-CG2 4.48Å; V123-T134 HydrophobicContact CG1-CG2 3.79Å; V123-T134 HydrophobicContact CG2-CG2 3.81Å; V123-M135 HydrophobicContact CB-CG 4.17Å; V123-M135 HydrophobicContact CG1-CG 4.21Å; V123-M135 HydrophobicContact CG2-CG 4.39Å; V123-M135 HydrophobicContact CG2-SD 4.29Å |
| 124 | A | 95.5 | Very high | 96.1 | Very high | 39 Ų | 39 | 47 Ų | 47 | 32% | 0.322 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.2 | -36.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | D120 R121 Y122 Y131 | D120-A124 WeakPolarHBondContact O-CB 3.44Å; D120-A124 PolarHBondContact O-N 2.84Å; R121-A124 PolarHBondContact O-N 2.77Å; Y122-A124 PolarHBondContact O-N 2.94Å; A124-Y131 HydrophobicContact CB-CD2 3.8Å; A124-Y131 HydrophobicContact CB-CE2 3.71Å |
| 125 | I | 93.9 | Very high | 96.1 | Very high | 34 Ų | 34 | 47.1 Ų | 47.1 | 17% | 0.174 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -89.9 | -43.6 | -176.4 | -65.7 | 172.8 | 0 | 0 | 0 | 111.9 | R121 Y122 V123 I220 V224 M227 A236 | R121-I125 WeakPolarHBondContact O-CB 3.5Å; R121-I125 VanDerWaalsContact O-CG1 3.26Å; R121-I125 WeakPolarHBondContact O-CG1 3.47Å; R121-I125 PolarHBondContact O-N 3.44Å; Y122-I125 PolarHBondContact O-N 3.24Å; V123-I125 VanDerWaalsContact C-N 3.28Å; V123-I125 PolarHBondContact O-N 3.45Å; I125-I220 HydrophobicContact CD1-CG1 4.46Å; I125-I220 HydrophobicContact CD1-CG2 3.93Å; I125-I220 HydrophobicContact CG2-CG2 4.36Å; I125-V224 HydrophobicContact CG2-CG2 4.29Å; I125-M227 HydrophobicContact CG2-CE 3.37Å; I125-A236 HydrophobicContact CD1-CB 4.19Å |
| 126 | C | 95 | Very high | 96.1 | Very high | 30 Ų | 30 | 47.7 Ų | 47.7 | 20% | 0.203 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -90.3 | -28.2 | -171.6 | -56.4 | 0 | 0 | 0 | 0 | 112.8 | Y122 P128 S223 | Y122-C126 HydrophobicContact CD2-CB 3.87Å; Y122-C126 VanDerWaalsContact CD2-SG 3.59Å; Y122-C126 HydrophobicContact CE2-CB 3.66Å; Y122-C126 VanDerWaalsContact O-CB 3.23Å; Y122-C126 WeakPolarHBondContact O-CB 3.21Å; Y122-C126 PolarHBondContact O-N 3.19Å; Y122-C126 PolarHBondContact O-SG 3.25Å; C126-P128 VanDerWaalsContact C-CD 3.5Å; C126-S223 VanDerWaalsContact SG-CB 3.58Å |
| 127 | N | 93.9 | Very high | 96.1 | Very high | 70 Ų | 70 | 52.4 Ų | 52.4 | 37% | 0.374 | 29% | 0.292 | S | S | . | . | trans | -134.1 | 56 | -176.2 | -62.9 | -59.5 | 0 | 0 | 0 | 112 | Y122 V123 L129 M130 Y131 | Y122-N127 PolarHBondContact OH-ND2 3.06Å; V123-N127 HydrophobicContact CG1-CB 4.5Å; V123-N127 CarbonylContact O-C 3.59Å; V123-N127 WeakPolarHBondContact O-CA 3.4Å; V123-N127 PolarHBondContact O-N 3.09Å; N127-L129 VanDerWaalsContact C-N 3.26Å; N127-L129 PolarHBondContact O-N 3.25Å; N127-L129 VanDerWaalsContact O-N 3.15Å; N127-M130 PolarHBondContact O-N 2.93Å; N127-Y131 PolarHBondContact O-N 3.47Å | ||
| 128 | P | 93.2 | Very high | 96.1 | Very high | 86 Ų | 86 | 59 Ų | 59 | 56% | 0.558 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -32 | -171.6 | 23.8 | -34.7 | 0 | 0 | 0 | 113.8 | C126 M130 Y131 | C126-P128 VanDerWaalsContact C-CD 3.5Å; P128-M130 VanDerWaalsContact C-N 3.32Å; P128-M130 PolarHBondContact O-N 3.37Å; P128-Y131 WeakPolarHBondContact O-CB 3.3Å; P128-Y131 PolarHBondContact O-N 2.89Å |
| 129 | L | 95.5 | Very high | 96.1 | Very high | 163 Ų | 163 | 61.5 Ų | 61.5 | 85% | 0.853 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -26.9 | 179.2 | -64.4 | 177.2 | 0 | 0 | 0 | 113.4 | N127 | N127-L129 VanDerWaalsContact C-N 3.26Å; N127-L129 PolarHBondContact O-N 3.25Å; N127-L129 VanDerWaalsContact O-N 3.15Å |
| 130 | M | 95.6 | Very high | 96.2 | Very high | 103 Ų | 103 | 57.8 Ų | 57.8 | 51% | 0.507 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -5.3 | -179.4 | -62.4 | -56.7 | -64.4 | 0 | 0 | 112.6 | N127 P128 T132 V133 T134 | N127-M130 PolarHBondContact O-N 2.93Å; P128-M130 VanDerWaalsContact C-N 3.32Å; P128-M130 PolarHBondContact O-N 3.37Å; M130-T132 VanDerWaalsContact C-N 3.34Å; M130-T132 PolarHBondContact O-N 3.16Å; M130-V133 PolarHBondContact O-N 3.3Å; M130-T134 WeakPolarHBondContact O-CB 3.49Å; M130-T134 PolarHBondContact O-N 2.78Å; M130-T134 PolarHBondContact O-OG1 2.81Å |
| 131 | Y | 97.2 | Very high | 96.2 | Very high | 44 Ų | 44 | 61.7 Ų | 61.7 | 17% | 0.173 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -54.1 | -45 | -171 | 174.4 | -102.1 | 0 | 0 | 0 | 113.8 | P57 D120 V123 A124 N127 P128 V133 T134 M135 | P57-Y131 HydrophobicContact CG-CE1 4.4Å; D120-Y131 WeakPolarHBondContact OD1-CE2 3.36Å; D120-Y131 PolarHBondContact OD1-OH 3.17Å; D120-Y131 VanDerWaalsContact OD1-OH 3.1Å; V123-Y131 HydrophobicContact CB-CD2 4.19Å; V123-Y131 HydrophobicContact CG1-CD2 3.89Å; A124-Y131 HydrophobicContact CB-CD2 3.8Å; A124-Y131 HydrophobicContact CB-CE2 3.71Å; N127-Y131 PolarHBondContact O-N 3.47Å; P128-Y131 WeakPolarHBondContact O-CB 3.3Å; P128-Y131 PolarHBondContact O-N 2.89Å; Y131-V133 VanDerWaalsContact C-N 3.27Å; Y131-V133 PolarHBondContact O-N 3Å; Y131-T134 PolarHBondContact O-N 3.23Å; Y131-M135 HydrophobicContact CD2-CB 4.27Å; Y131-M135 HydrophobicContact CD2-CG 3.93Å; Y131-M135 HydrophobicContact CE2-CB 4Å; Y131-M135 HydrophobicContact CE2-CG 3.75Å; Y131-M135 WeakPolarHBondContact O-CB 3.43Å; Y131-M135 PolarHBondContact O-N 3.04Å |
| 132 | T | 93.9 | Very high | 96.4 | Very high | 108 Ų | 108 | 66.9 Ų | 66.9 | 66% | 0.663 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -67.4 | -27.5 | -178.8 | 52.8 | 0 | 0 | 0 | 0 | 113.4 | M130 | M130-T132 VanDerWaalsContact C-N 3.34Å; M130-T132 PolarHBondContact O-N 3.16Å |
| 133 | V | 95.1 | Very high | 96.4 | Very high | 99 Ų | 99 | 67.4 Ų | 67.4 | 60% | 0.6 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -85.3 | -43.3 | 178 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | M130 Y131 | M130-V133 PolarHBondContact O-N 3.3Å; Y131-V133 VanDerWaalsContact C-N 3.27Å; Y131-V133 PolarHBondContact O-N 3Å |
| 134 | T | 96.7 | Very high | 96.5 | Very high | 42 Ų | 42 | 67.9 Ų | 67.9 | 26% | 0.258 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -71.7 | -43.5 | -178.9 | -57.3 | 0 | 0 | 0 | 0 | 112.4 | Y119 V123 M130 Y131 S136 V139 | Y119-T134 HydrophobicContact CE1-CG2 4.46Å; V123-T134 HydrophobicContact CB-CG2 4.48Å; V123-T134 HydrophobicContact CG1-CG2 3.79Å; V123-T134 HydrophobicContact CG2-CG2 3.81Å; M130-T134 WeakPolarHBondContact O-CB 3.49Å; M130-T134 PolarHBondContact O-N 2.78Å; M130-T134 PolarHBondContact O-OG1 2.81Å; Y131-T134 PolarHBondContact O-N 3.23Å; T134-S136 VanDerWaalsContact C-N 3.34Å; T134-S136 PolarHBondContact O-N 3.49Å; T134-V139 WeakPolarHBondContact O-CG1 3.35Å |
| 135 | M | 97.8 | Very high | 96.7 | Very high | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.015 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 51.7 | 176.5 | -59.4 | -59.6 | -78.7 | 0 | 0 | 110.3 | P57 F61 Y119 D120 V123 Y131 L143 | P57-M135 HydrophobicContact CB-CB 3.98Å; P57-M135 HydrophobicContact CG-CB 3.87Å; P57-M135 WeakPolarHBondContact CG-O 3.39Å; F61-M135 HydrophobicContact CE2-CE 3.76Å; F61-M135 HydrophobicContact CZ-CE 4.37Å; Y119-M135 HydrophobicContact CD1-CE 4.15Å; Y119-M135 HydrophobicContact CD1-SD 3.66Å; Y119-M135 HydrophobicContact CE1-SD 3.61Å; D120-M135 VanDerWaalsContact CA-CE 3.44Å; D120-M135 HydrophobicContact CB-CE 3.48Å; D120-M135 VanDerWaalsContact CB-CE 3.48Å; V123-M135 HydrophobicContact CB-CG 4.17Å; V123-M135 HydrophobicContact CG1-CG 4.21Å; V123-M135 HydrophobicContact CG2-CG 4.39Å; V123-M135 HydrophobicContact CG2-SD 4.29Å; Y131-M135 HydrophobicContact CD2-CB 4.27Å; Y131-M135 HydrophobicContact CD2-CG 3.93Å; Y131-M135 HydrophobicContact CE2-CB 4Å; Y131-M135 HydrophobicContact CE2-CG 3.75Å; Y131-M135 WeakPolarHBondContact O-CB 3.43Å; Y131-M135 PolarHBondContact O-N 3.04Å; M135-L143 HydrophobicContact CE-CD1 4.42Å |
| 136 | S | 97.4 | Very high | 96.9 | Very high | 22 Ų | 22 | 70 Ų | 70 | 15% | 0.154 | 40% | 0.395 | C | S | . | . | trans | -68 | 159.2 | 174.3 | 68.8 | 0 | 0 | 0 | 0 | 111.2 | T134 Q138 V139 C140 | T134-S136 VanDerWaalsContact C-N 3.34Å; T134-S136 PolarHBondContact O-N 3.49Å; S136-Q138 PolarHBondContact O-N 3.5Å; S136-Q138 PolarHBondContact OG-OE1 3.19Å; S136-V139 PolarHBondContact O-N 2.86Å; S136-V139 VanDerWaalsContact O-N 3.09Å; S136-V139 WeakPolarHBondContact OG-CG2 3.35Å; S136-V139 PolarHBondContact OG-N 3.41Å; S136-C140 PolarHBondContact O-N 3.13Å; S136-C140 PolarHBondContact O-SG 3.28Å | ||
| 137 | P | 97.5 | Very high | 97 | Very high | 105 Ų | 105 | 68.7 Ų | 68.7 | 68% | 0.682 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -54.5 | -35.8 | 177.3 | -28 | 36.2 | 0 | 0 | 0 | 113.6 | C140 L141 | P137-C140 PolarHBondContact O-N 3.48Å; P137-L141 WeakPolarHBondContact O-CB 3.26Å; P137-L141 PolarHBondContact O-N 3.2Å |
| 138 | Q | 98 | Very high | 97.2 | Very high | 140 Ų | 140 | 67.8 Ų | 67.8 | 65% | 0.654 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66.7 | -43.3 | 177.8 | -61 | 87.6 | -17.9 | 0 | 0 | 111.8 | S136 L141 L142 | S136-Q138 PolarHBondContact O-N 3.5Å; S136-Q138 PolarHBondContact OG-OE1 3.19Å; Q138-L141 PolarHBondContact O-N 2.82Å; Q138-L142 WeakPolarHBondContact O-CB 3.26Å; Q138-L142 PolarHBondContact O-N 3.4Å |
| 139 | V | 98.1 | Very high | 97.5 | Very high | 51 Ų | 51 | 68.9 Ų | 68.9 | 31% | 0.309 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66 | -42.7 | 176.7 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | T134 S136 L141 L142 L143 | T134-V139 WeakPolarHBondContact O-CG1 3.35Å; S136-V139 PolarHBondContact O-N 2.86Å; S136-V139 VanDerWaalsContact O-N 3.09Å; S136-V139 WeakPolarHBondContact OG-CG2 3.35Å; S136-V139 PolarHBondContact OG-N 3.41Å; V139-L141 VanDerWaalsContact C-N 3.33Å; V139-L141 PolarHBondContact O-N 3.17Å; V139-L142 PolarHBondContact O-N 3.27Å; V139-L143 HydrophobicContact CG1-CD1 4.08Å; V139-L143 HydrophobicContact CG1-CG 4.43Å; V139-L143 WeakPolarHBondContact O-CG 3.5Å; V139-L143 PolarHBondContact O-N 3.34Å |
| 140 | C | 98.5 | Very high | 97.6 | Very high | 3 Ų | 3 | 64.6 Ų | 64.6 | 2% | 0.02 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 176.7 | -62 | 0 | 0 | 0 | 0 | 111.8 | F60 F61 S136 P137 L143 L144 | F60-C140 HydrophobicContact CD1-CB 3.8Å; F60-C140 HydrophobicContact CE1-CB 3.86Å; F61-C140 HydrophobicContact CE2-CB 4.5Å; F61-C140 HydrophobicContact CZ-CB 4.09Å; S136-C140 PolarHBondContact O-N 3.13Å; S136-C140 PolarHBondContact O-SG 3.28Å; P137-C140 PolarHBondContact O-N 3.48Å; C140-L143 PolarHBondContact O-N 2.91Å; C140-L144 WeakPolarHBondContact O-CB 3.46Å; C140-L144 PolarHBondContact O-N 3.43Å |
| 141 | L | 98.4 | Very high | 97.7 | Very high | 87 Ų | 87 | 59.7 Ų | 59.7 | 46% | 0.455 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 176.1 | -178 | 63 | 0 | 0 | 0 | 111.7 | P137 Q138 V139 L144 L145 | P137-L141 WeakPolarHBondContact O-CB 3.26Å; P137-L141 PolarHBondContact O-N 3.2Å; Q138-L141 PolarHBondContact O-N 2.82Å; V139-L141 VanDerWaalsContact C-N 3.33Å; V139-L141 PolarHBondContact O-N 3.17Å; L141-L144 PolarHBondContact O-N 3.26Å; L141-L145 HydrophobicContact CD1-CD1 4.31Å; L141-L145 HydrophobicContact CD1-CG 4.19Å; L141-L145 HydrophobicContact CG-CD1 4.02Å; L141-L145 HydrophobicContact CG-CG 4.32Å; L141-L145 WeakPolarHBondContact O-CB 3.36Å; L141-L145 VanDerWaalsContact O-CG 3.28Å; L141-L145 WeakPolarHBondContact O-CG 3.31Å; L141-L145 PolarHBondContact O-N 3Å |
| 142 | L | 98.5 | Very high | 97.7 | Very high | 125 Ų | 125 | 62.3 Ų | 62.3 | 65% | 0.654 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.5 | -44.8 | 177.1 | -178.4 | 65.8 | 0 | 0 | 0 | 111.7 | Q138 V139 L144 L145 G146 | Q138-L142 WeakPolarHBondContact O-CB 3.26Å; Q138-L142 PolarHBondContact O-N 3.4Å; V139-L142 PolarHBondContact O-N 3.27Å; L142-L144 VanDerWaalsContact C-N 3.34Å; L142-L144 PolarHBondContact O-N 2.97Å; L142-L145 PolarHBondContact O-N 3.03Å; L142-G146 PolarHBondContact O-N 3.34Å |
| 143 | L | 98.4 | Very high | 97.9 | Very high | 60 Ų | 60 | 60.4 Ų | 60.4 | 31% | 0.314 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 176.3 | -70.9 | 171.5 | 0 | 0 | 0 | 111.5 | F61 A116 Y119 M135 V139 C140 G146 A147 | F61-L143 HydrophobicContact CE1-CB 4.1Å; F61-L143 HydrophobicContact CZ-CB 4.11Å; F61-L143 HydrophobicContact CZ-CD1 3.95Å; A116-L143 HydrophobicContact CB-CB 4.27Å; A116-L143 HydrophobicContact CB-CD1 4.39Å; Y119-L143 HydrophobicContact CD1-CD1 4.35Å; M135-L143 HydrophobicContact CE-CD1 4.42Å; V139-L143 HydrophobicContact CG1-CD1 4.08Å; V139-L143 HydrophobicContact CG1-CG 4.43Å; V139-L143 WeakPolarHBondContact O-CG 3.5Å; V139-L143 PolarHBondContact O-N 3.34Å; C140-L143 PolarHBondContact O-N 2.91Å; L143-G146 PolarHBondContact O-N 3.17Å; L143-A147 PolarHBondContact O-N 3.4Å |
| 144 | L | 98.7 | Very high | 97.9 | Very high | 11 Ų | 11 | 56.6 Ų | 56.6 | 6% | 0.058 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 177.2 | 179.2 | 68.3 | 0 | 0 | 0 | 112.4 | F60 N64 I113 C140 L141 L142 G146 A147 Y148 | F60-L144 HydrophobicContact CE1-CB 3.98Å; F60-L144 HydrophobicContact CE1-CD2 3.87Å; F60-L144 HydrophobicContact CE1-CG 4.48Å; F60-L144 HydrophobicContact CE2-CD2 4.33Å; F60-L144 HydrophobicContact CZ-CB 4.26Å; F60-L144 HydrophobicContact CZ-CD2 3.44Å; F60-L144 VanDerWaalsContact CZ-CD2 3.44Å; F60-L144 HydrophobicContact CZ-CG 4.46Å; N64-L144 HydrophobicContact CB-CD1 3.66Å; N64-L144 VanDerWaalsContact CG-CD1 3.5Å; N64-L144 WeakPolarHBondContact ND2-CD2 3.28Å; N64-L144 WeakPolarHBondContact OD1-CD2 3.47Å; I113-L144 HydrophobicContact CD1-CD1 4.14Å; I113-L144 HydrophobicContact CG1-CD1 4.23Å; C140-L144 WeakPolarHBondContact O-CB 3.46Å; C140-L144 PolarHBondContact O-N 3.43Å; L141-L144 PolarHBondContact O-N 3.26Å; L142-L144 VanDerWaalsContact C-N 3.34Å; L142-L144 PolarHBondContact O-N 2.97Å; L144-G146 VanDerWaalsContact C-N 3.27Å; L144-G146 PolarHBondContact O-N 2.91Å; L144-A147 WeakPolarHBondContact O-CB 3.36Å; L144-A147 PolarHBondContact O-N 2.81Å; L144-Y148 HydrophobicContact CD1-CD2 4.12Å; L144-Y148 HydrophobicContact CD1-CE1 4.48Å; L144-Y148 HydrophobicContact CD1-CE2 3.57Å; L144-Y148 HydrophobicContact CD2-CE2 4.04Å; L144-Y148 HydrophobicContact CG-CD2 4.01Å; L144-Y148 HydrophobicContact CG-CE2 3.71Å; L144-Y148 PolarHBondContact O-N 3.28Å |
| 145 | L | 98.6 | Very high | 97.9 | Very high | 88 Ų | 88 | 54.6 Ų | 54.6 | 46% | 0.461 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 176.9 | -71.5 | 175 | 0 | 0 | 0 | 110.7 | L141 L142 Y148 L149 | L141-L145 HydrophobicContact CD1-CD1 4.31Å; L141-L145 HydrophobicContact CD1-CG 4.19Å; L141-L145 HydrophobicContact CG-CD1 4.02Å; L141-L145 HydrophobicContact CG-CG 4.32Å; L141-L145 WeakPolarHBondContact O-CB 3.36Å; L141-L145 VanDerWaalsContact O-CG 3.28Å; L141-L145 WeakPolarHBondContact O-CG 3.31Å; L141-L145 PolarHBondContact O-N 3Å; L142-L145 PolarHBondContact O-N 3.03Å; L145-Y148 PolarHBondContact O-N 2.93Å; L145-L149 VanDerWaalsContact O-CB 3.27Å; L145-L149 WeakPolarHBondContact O-CB 3.33Å; L145-L149 WeakPolarHBondContact O-CG 3.15Å; L145-L149 PolarHBondContact O-N 3.26Å |
| 146 | G | 98.3 | Very high | 97.8 | Very high | 31 Ų | 31 | 58.8 Ų | 58.8 | 32% | 0.32 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.1 | -48.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L142 L143 L144 Y148 L149 M150 | L142-G146 PolarHBondContact O-N 3.34Å; L143-G146 PolarHBondContact O-N 3.17Å; L144-G146 VanDerWaalsContact C-N 3.27Å; L144-G146 PolarHBondContact O-N 2.91Å; G146-Y148 PolarHBondContact O-N 3.26Å; G146-L149 PolarHBondContact O-N 2.77Å; G146-M150 WeakPolarHBondContact O-CG 3.26Å; G146-M150 PolarHBondContact O-N 3.4Å |
| 147 | A | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 59.3 Ų | 59.3 | 2% | 0.017 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.1 | -49.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F112 I113 L143 L144 M150 G151 | F112-A147 HydrophobicContact CB-CB 3.48Å; F112-A147 VanDerWaalsContact CB-CB 3.48Å; I113-A147 HydrophobicContact CG1-CB 4.09Å; L143-A147 PolarHBondContact O-N 3.4Å; L144-A147 WeakPolarHBondContact O-CB 3.36Å; L144-A147 PolarHBondContact O-N 2.81Å; A147-M150 PolarHBondContact O-N 2.95Å; A147-G151 PolarHBondContact O-N 3.42Å |
| 148 | Y | 98.6 | Very high | 97.5 | Very high | 51 Ų | 51 | 54.6 Ų | 54.6 | 20% | 0.2 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.2 | -35.4 | 178.4 | -70 | -35.8 | 0 | 0 | 0 | 113.3 | N64 V68 F105 S109 I113 L144 L145 G146 G151 F152 | N64-Y148 PolarHBondContact OD1-OH 3.24Å; V68-Y148 HydrophobicContact CG2-CE1 3.87Å; F105-Y148 HydrophobicContact CE2-CD1 4.3Å; F105-Y148 WeakPolarHBondContact CE2-O 3.49Å; F105-Y148 AromaticContact CZ-CD1 3.77Å; F105-Y148 HydrophobicContact CZ-CD1 3.77Å; F105-Y148 HydrophobicContact CZ-CE1 4.41Å; F105-Y148 HydrophobicContact CZ-CG 4.29Å; S109-Y148 WeakPolarHBondContact OG-CD1 2.89Å; I113-Y148 HydrophobicContact CD1-CE1 4.34Å; L144-Y148 HydrophobicContact CD1-CD2 4.12Å; L144-Y148 HydrophobicContact CD1-CE1 4.48Å; L144-Y148 HydrophobicContact CD1-CE2 3.57Å; L144-Y148 HydrophobicContact CD2-CE2 4.04Å; L144-Y148 HydrophobicContact CG-CD2 4.01Å; L144-Y148 HydrophobicContact CG-CE2 3.71Å; L144-Y148 PolarHBondContact O-N 3.28Å; L145-Y148 PolarHBondContact O-N 2.93Å; G146-Y148 PolarHBondContact O-N 3.26Å; Y148-G151 PolarHBondContact O-N 3.02Å; Y148-F152 VanDerWaalsContact O-CB 3.28Å; Y148-F152 WeakPolarHBondContact O-CB 3.24Å; Y148-F152 PolarHBondContact O-N 2.89Å |
| 149 | L | 98.3 | Very high | 97.3 | Very high | 109 Ų | 109 | 48.4 Ų | 48.4 | 57% | 0.571 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -66.2 | -40.4 | 175.9 | -76.2 | 171 | 0 | 0 | 0 | 111.6 | L145 G146 F152 S153 | L145-L149 VanDerWaalsContact O-CB 3.27Å; L145-L149 WeakPolarHBondContact O-CB 3.33Å; L145-L149 WeakPolarHBondContact O-CG 3.15Å; L145-L149 PolarHBondContact O-N 3.26Å; G146-L149 PolarHBondContact O-N 2.77Å; L149-F152 PolarHBondContact O-N 3.36Å; L149-S153 WeakPolarHBondContact O-CB 3.44Å; L149-S153 PolarHBondContact O-N 3.1Å; L149-S153 PolarHBondContact O-OG 3Å |
| 150 | M | 97 | Very high | 97.1 | Very high | 73 Ų | 73 | 46.9 Ų | 46.9 | 36% | 0.36 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62 | -50.4 | 173.7 | -71 | -55.2 | -60.6 | 0 | 0 | 110.7 | V108 F112 G146 A147 F152 S153 E154 | V108-M150 HydrophobicContact CG1-CB 4.31Å; F112-M150 HydrophobicContact CD1-CG 4.5Å; F112-M150 HydrophobicContact CD2-CB 3.96Å; F112-M150 HydrophobicContact CD2-CG 4.45Å; F112-M150 HydrophobicContact CE1-CG 4.11Å; F112-M150 HydrophobicContact CE2-CB 3.75Å; F112-M150 HydrophobicContact CE2-CE 4.4Å; F112-M150 HydrophobicContact CE2-CG 4.07Å; F112-M150 HydrophobicContact CG-CB 4.49Å; F112-M150 HydrophobicContact CZ-CB 4.1Å; F112-M150 HydrophobicContact CZ-CE 4.02Å; F112-M150 HydrophobicContact CZ-CG 3.89Å; G146-M150 WeakPolarHBondContact O-CG 3.26Å; G146-M150 PolarHBondContact O-N 3.4Å; A147-M150 PolarHBondContact O-N 2.95Å; M150-F152 VanDerWaalsContact C-N 3.31Å; M150-F152 PolarHBondContact O-N 2.99Å; M150-S153 PolarHBondContact O-N 3.22Å; M150-E154 WeakPolarHBondContact O-CB 3.23Å; M150-E154 PolarHBondContact O-N 3.5Å |
| 151 | G | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.8 | -40 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V108 A147 Y148 A155 | V108-G151 VanDerWaalsContact CG1-CA 3.43Å; A147-G151 PolarHBondContact O-N 3.42Å; Y148-G151 PolarHBondContact O-N 3.02Å; G151-A155 WeakPolarHBondContact O-CB 3.46Å; G151-A155 PolarHBondContact O-N 2.88Å |
| 152 | F | 98.3 | Very high | 96.4 | Very high | 98 Ų | 98 | 45.2 Ų | 45.2 | 43% | 0.43 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -66.5 | -44.5 | 177.6 | 179.3 | -92.6 | 0 | 0 | 0 | 111.7 | F101 F105 Y148 L149 M150 E154 A155 M156 | F101-F152 HydrophobicContact CE2-CD2 4.49Å; F101-F152 HydrophobicContact CE2-CE2 4.38Å; F101-F152 AromaticContact CZ-CD2 3.83Å; F101-F152 HydrophobicContact CZ-CD2 3.83Å; F101-F152 AromaticContact CZ-CE2 3.84Å; F101-F152 HydrophobicContact CZ-CE2 3.84Å; F105-F152 HydrophobicContact CD2-CB 4.19Å; F105-F152 HydrophobicContact CE2-CB 4.18Å; Y148-F152 VanDerWaalsContact O-CB 3.28Å; Y148-F152 WeakPolarHBondContact O-CB 3.24Å; Y148-F152 PolarHBondContact O-N 2.89Å; L149-F152 PolarHBondContact O-N 3.36Å; M150-F152 VanDerWaalsContact C-N 3.31Å; M150-F152 PolarHBondContact O-N 2.99Å; F152-E154 VanDerWaalsContact C-N 3.34Å; F152-E154 PolarHBondContact O-N 3.17Å; F152-A155 PolarHBondContact O-N 2.87Å; F152-M156 HydrophobicContact CE1-CE 4.23Å; F152-M156 HydrophobicContact CE2-CE 4.24Å; F152-M156 HydrophobicContact CZ-CE 3.66Å; F152-M156 VanDerWaalsContact O-CB 3.31Å; F152-M156 WeakPolarHBondContact O-CB 3.32Å; F152-M156 PolarHBondContact O-N 3.21Å |
| 153 | S | 96.4 | Very high | 96 | Very high | 69 Ų | 69 | 44.3 Ų | 44.3 | 48% | 0.483 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.7 | -43.1 | -179 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | L149 M150 A157 | L149-S153 WeakPolarHBondContact O-CB 3.44Å; L149-S153 PolarHBondContact O-N 3.1Å; L149-S153 PolarHBondContact O-OG 3Å; M150-S153 PolarHBondContact O-N 3.22Å; S153-A157 WeakPolarHBondContact O-CB 3.41Å; S153-A157 PolarHBondContact O-N 3.17Å |
| 154 | E | 95.5 | Very high | 95.5 | Very high | 18 Ų | 18 | 47.3 Ų | 47.3 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.8 | -46.9 | 177.1 | 176 | 157.6 | 178.7 | 0 | 0 | 112.4 | V108 M150 F152 M156 A157 H158 V201 D205 | V108-E154 WeakPolarHBondContact CG1-OE2 3.39Å; V108-E154 HydrophobicContact CG2-CB 4.21Å; V108-E154 HydrophobicContact CG2-CG 3.82Å; V108-E154 WeakPolarHBondContact CG2-OE2 3.31Å; M150-E154 WeakPolarHBondContact O-CB 3.23Å; M150-E154 PolarHBondContact O-N 3.5Å; F152-E154 VanDerWaalsContact C-N 3.34Å; F152-E154 PolarHBondContact O-N 3.17Å; E154-M156 VanDerWaalsContact C-N 3.26Å; E154-M156 PolarHBondContact O-N 3.43Å; E154-A157 PolarHBondContact O-N 2.97Å; E154-A157 VanDerWaalsContact O-N 3.12Å; E154-H158 VanDerWaalsContact CG-CD2 3.46Å; E154-H158 WeakPolarHBondContact CG-CD2 3.48Å; E154-H158 PolarHBondContact O-CD2 3.34Å; E154-H158 PolarHBondContact O-N 3.46Å; E154-H158 IonicContact OE1-NE2 3.98Å; E154-V201 HydrophobicContact CB-CG1 4.11Å; E154-V201 HydrophobicContact CG-CG1 3.45Å; E154-V201 VanDerWaalsContact CG-CG1 3.45Å; E154-D205 WeakPolarHBondContact OE2-CB 3.49Å |
| 155 | A | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.6 | -39.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | F101 C104 F105 G151 F152 T159 | F101-A155 HydrophobicContact CD2-CB 3.68Å; F101-A155 HydrophobicContact CE2-CB 3.68Å; F101-A155 HydrophobicContact CG-CB 4.22Å; F101-A155 HydrophobicContact CZ-CB 4.22Å; F101-A155 WeakPolarHBondContact O-CB 3.4Å; C104-A155 HydrophobicContact CB-CB 3.79Å; F105-A155 HydrophobicContact CB-CB 3.96Å; G151-A155 WeakPolarHBondContact O-CB 3.46Å; G151-A155 PolarHBondContact O-N 2.88Å; F152-A155 PolarHBondContact O-N 2.87Å; A155-T159 WeakPolarHBondContact O-CB 3.4Å; A155-T159 PolarHBondContact O-N 3.31Å; A155-T159 PolarHBondContact O-OG1 2.93Å |
| 156 | M | 96 | Very high | 94.7 | Very high | 91 Ų | 91 | 46.4 Ų | 46.4 | 45% | 0.448 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.6 | -43.2 | 175.3 | -171.3 | 61.1 | 68.1 | 0 | 0 | 111.5 | F101 F152 E154 G160 | F101-M156 HydrophobicContact CE2-CE 4.22Å; F152-M156 HydrophobicContact CE1-CE 4.23Å; F152-M156 HydrophobicContact CE2-CE 4.24Å; F152-M156 HydrophobicContact CZ-CE 3.66Å; F152-M156 VanDerWaalsContact O-CB 3.31Å; F152-M156 WeakPolarHBondContact O-CB 3.32Å; F152-M156 PolarHBondContact O-N 3.21Å; E154-M156 VanDerWaalsContact C-N 3.26Å; E154-M156 PolarHBondContact O-N 3.43Å; M156-G160 WeakPolarHBondContact O-CA 3.45Å; M156-G160 PolarHBondContact O-N 2.84Å |
| 157 | A | 93.7 | Very high | 94.3 | Very high | 34 Ų | 34 | 45.3 Ų | 45.3 | 28% | 0.281 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.5 | -49.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S153 E154 N161 | S153-A157 WeakPolarHBondContact O-CB 3.41Å; S153-A157 PolarHBondContact O-N 3.17Å; E154-A157 PolarHBondContact O-N 2.97Å; E154-A157 VanDerWaalsContact O-N 3.12Å; A157-N161 WeakPolarHBondContact O-CB 3.38Å; A157-N161 VanDerWaalsContact O-CG 3.31Å; A157-N161 PolarHBondContact O-N 3.1Å; A157-N161 VanDerWaalsContact O-N 3.11Å; A157-N161 PolarHBondContact O-ND2 3.33Å |
| 158 | H | 93.8 | Very high | 93.7 | Very high | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.028 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.2 | -52.1 | -179.8 | -71.5 | -66.9 | 0 | 0 | 0 | 112.4 | E154 G160 N161 L162 I180 | E154-H158 VanDerWaalsContact CG-CD2 3.46Å; E154-H158 WeakPolarHBondContact CG-CD2 3.48Å; E154-H158 PolarHBondContact O-CD2 3.34Å; E154-H158 PolarHBondContact O-N 3.46Å; E154-H158 IonicContact OE1-NE2 3.98Å; H158-G160 PolarHBondContact O-N 3Å; H158-N161 PolarHBondContact O-N 3.44Å; H158-L162 WeakPolarHBondContact O-CB 3.4Å; H158-L162 PolarHBondContact O-N 3.12Å; H158-I180 HydrophobicContact CB-CD1 4.15Å; H158-I180 HydrophobicContact CB-CG1 4.46Å; H158-I180 WeakPolarHBondContact ND1-CD1 3.37Å |
| 159 | T | 94.8 | Very high | 92.7 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 6% | 0.055 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.3 | -41.5 | -178 | -52.7 | 0 | 0 | 0 | 0 | 111.3 | M97 F101 A155 L162 M163 | M97-T159 HydrophobicContact CB-CG2 4.14Å; F101-T159 WeakPolarHBondContact CA-OG1 3.35Å; F101-T159 HydrophobicContact CB-CG2 4.37Å; A155-T159 WeakPolarHBondContact O-CB 3.4Å; A155-T159 PolarHBondContact O-N 3.31Å; A155-T159 PolarHBondContact O-OG1 2.93Å; T159-L162 PolarHBondContact O-N 3.45Å; T159-M163 HydrophobicContact CG2-CG 4.45Å; T159-M163 WeakPolarHBondContact O-CG 3.29Å; T159-M163 PolarHBondContact O-N 2.99Å |
| 160 | G | 92.6 | Very high | 91.9 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 21% | 0.206 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M156 H158 N164 | M156-G160 WeakPolarHBondContact O-CA 3.45Å; M156-G160 PolarHBondContact O-N 2.84Å; H158-G160 PolarHBondContact O-N 3Å; G160-N164 PolarHBondContact O-ND2 3.42Å |
| 161 | N | 90.4 | Very high | 91.6 | Very high | 51 Ų | 51 | 49.1 Ų | 49.1 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 174.4 | -78.7 | -49.2 | 0 | 0 | 0 | 111.6 | A157 H158 M163 N164 | A157-N161 WeakPolarHBondContact O-CB 3.38Å; A157-N161 VanDerWaalsContact O-CG 3.31Å; A157-N161 PolarHBondContact O-N 3.1Å; A157-N161 VanDerWaalsContact O-N 3.11Å; A157-N161 PolarHBondContact O-ND2 3.33Å; H158-N161 PolarHBondContact O-N 3.44Å; N161-M163 VanDerWaalsContact C-N 3.34Å; N161-M163 PolarHBondContact O-N 3.43Å; N161-N164 WeakPolarHBondContact O-CB 3.23Å; N161-N164 PolarHBondContact O-N 3.38Å |
| 162 | L | 92.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.8 | -33.1 | -178 | -158.9 | 74.8 | 0 | 0 | 0 | 112.9 | M97 L100 H158 T159 N164 L165 F167 L183 L184 | M97-L162 HydrophobicContact CE-CD2 3.77Å; M97-L162 HydrophobicContact CE-CG 4.13Å; M97-L162 HydrophobicContact SD-CB 4.44Å; M97-L162 HydrophobicContact SD-CD2 3.84Å; M97-L162 HydrophobicContact SD-CG 4.36Å; L100-L162 HydrophobicContact CD2-CB 4.49Å; L100-L162 HydrophobicContact CD2-CD2 3.37Å; H158-L162 WeakPolarHBondContact O-CB 3.4Å; H158-L162 PolarHBondContact O-N 3.12Å; T159-L162 PolarHBondContact O-N 3.45Å; L162-N164 PolarHBondContact O-N 2.9Å; L162-L165 HydrophobicContact CD1-CD1 3.73Å; L162-L165 WeakPolarHBondContact O-CB 3.26Å; L162-L165 PolarHBondContact O-N 3.49Å; L162-L165 VanDerWaalsContact O-N 3.14Å; L162-F167 HydrophobicContact CD1-CZ 4.4Å; L162-F167 HydrophobicContact CG-CZ 4.06Å; L162-L183 HydrophobicContact CD1-CB 4.13Å; L162-L183 HydrophobicContact CD2-CB 3.78Å; L162-L183 HydrophobicContact CD2-CD1 3.46Å; L162-L183 VanDerWaalsContact CD2-CD1 3.46Å; L162-L183 HydrophobicContact CD2-CG 4.18Å; L162-L184 HydrophobicContact CD1-CD2 3.8Å; L162-L184 HydrophobicContact CD1-CG 4.27Å |
| 163 | M | 89.9 | Confident | 91.1 | Very high | 106 Ų | 106 | 48.7 Ų | 48.7 | 52% | 0.522 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.7 | -20 | 174.7 | -76.3 | -165.7 | -61.8 | 0 | 0 | 113.9 | M97 T159 N161 L165 | M97-M163 HydrophobicContact CG-CG 4.22Å; M97-M163 HydrophobicContact SD-CG 4.27Å; T159-M163 HydrophobicContact CG2-CG 4.45Å; T159-M163 WeakPolarHBondContact O-CG 3.29Å; T159-M163 PolarHBondContact O-N 2.99Å; N161-M163 VanDerWaalsContact C-N 3.34Å; N161-M163 PolarHBondContact O-N 3.43Å; M163-L165 VanDerWaalsContact C-N 3.28Å |
| 164 | N | 88.2 | Confident | 90.9 | Very high | 123 Ų | 123 | 47.8 Ų | 47.8 | 66% | 0.658 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -3.6 | 176.7 | -65.5 | -38.7 | 0 | 0 | 0 | 113 | G160 N161 L162 | G160-N164 PolarHBondContact O-ND2 3.42Å; N161-N164 WeakPolarHBondContact O-CB 3.23Å; N161-N164 PolarHBondContact O-N 3.38Å; L162-N164 PolarHBondContact O-N 2.9Å |
| 165 | L | 90.4 | Very high | 90.8 | Very high | 18 Ų | 18 | 47 Ų | 47 | 9% | 0.094 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -88.6 | 146.1 | -178.5 | -60.1 | -174.6 | 0 | 0 | 0 | 112.2 | L162 M163 F167 L184 N189 | L162-L165 HydrophobicContact CD1-CD1 3.73Å; L162-L165 WeakPolarHBondContact O-CB 3.26Å; L162-L165 PolarHBondContact O-N 3.49Å; L162-L165 VanDerWaalsContact O-N 3.14Å; M163-L165 VanDerWaalsContact C-N 3.28Å; L165-F167 HydrophobicContact CB-CE1 4.43Å; L165-F167 HydrophobicContact CB-CZ 4.27Å; L165-L184 HydrophobicContact CD1-CD2 3.54Å; L165-N189 HydrophobicContact CD2-CB 4.01Å |
| 166 | T | 90.4 | Very high | 90.7 | Very high | 62 Ų | 62 | 47 Ų | 47 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -94.4 | 131.1 | 164.7 | -57.1 | 0 | 0 | 0 | 0 | 108.9 | S187 C188 | T166-S187 WeakPolarHBondContact O-CA 3.4Å; T166-S187 PolarHBondContact O-OG 3.13Å; T166-C188 PolarHBondContact O-N 2.83Å |
| 167 | F | 90.3 | Very high | 90.6 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 4% | 0.039 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -102.2 | 135.5 | 175.3 | -54.7 | -75.7 | 0 | 0 | 0 | 109.5 | V8 F11 H93 M97 L162 L165 L183 L186 | V8-F167 HydrophobicContact CB-CB 4.16Å; V8-F167 HydrophobicContact CG2-CB 3.67Å; V8-F167 VanDerWaalsContact CG2-O 3.31Å; V8-F167 WeakPolarHBondContact CG2-O 3.49Å; F11-F167 HydrophobicContact CE1-CB 4.46Å; F11-F167 HydrophobicContact CE1-CD1 4.43Å; F11-F167 HydrophobicContact CE1-CD2 4.35Å; F11-F167 HydrophobicContact CE1-CG 4.16Å; F11-F167 HydrophobicContact CZ-CD1 4.44Å; F11-F167 AromaticContact CZ-CD2 3.79Å; F11-F167 HydrophobicContact CZ-CD2 3.79Å; F11-F167 AromaticContact CZ-CE2 3.94Å; F11-F167 HydrophobicContact CZ-CE2 3.94Å; F11-F167 HydrophobicContact CZ-CG 4.06Å; F11-F167 HydrophobicContact CZ-CZ 4.32Å; H93-F167 AromaticContact NE2-CE2 3.75Å; M97-F167 HydrophobicContact CE-CE2 3.86Å; M97-F167 HydrophobicContact CE-CZ 3.85Å; L162-F167 HydrophobicContact CD1-CZ 4.4Å; L162-F167 HydrophobicContact CG-CZ 4.06Å; L165-F167 HydrophobicContact CB-CE1 4.43Å; L165-F167 HydrophobicContact CB-CZ 4.27Å; F167-L183 WeakPolarHBondContact CE1-O 3.11Å; F167-L186 WeakPolarHBondContact CA-O 3.37Å; F167-L186 HydrophobicContact CD1-CB 3.95Å |
| 168 | C | 84.3 | Confident | 90.8 | Very high | 81 Ų | 81 | 41 Ų | 41 | 55% | 0.547 | 23% | 0.234 | S | C | . | . | trans | -139 | -6 | -179.8 | 48.8 | 0 | 0 | 0 | 0 | 115.3 | L186 C188 | C168-L186 PolarHBondContact N-O 2.75Å; C168-L186 VanDerWaalsContact N-O 3.11Å; C168-C188 VanDerWaalsContact CA-SG 3.59Å; C168-C188 HydrophobicContact CB-CB 4.26Å; C168-C188 WeakPolarHBondContact CB-SG 3.5Å; C168-C188 PolarHBondContact N-SG 2.98Å; C168-C188 VanDerWaalsContact SG-CA 3.59Å; C168-C188 WeakPolarHBondContact SG-CB 3.47Å; C168-C188 CovalentContact SG-SG 1.99Å; C168-C188 PolarHBondContact SG-SG 2.85Å | ||
| 169 | A | 78.3 | Confident | 90.8 | Very high | 40 Ų | 40 | 40.7 Ų | 40.7 | 33% | 0.331 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -66.4 | -179.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N171 L186 | A169-N171 PolarHBondContact O-N 2.92Å; A169-N171 PolarHBondContact O-OD1 2.93Å; A169-L186 HydrophobicContact CB-CB 4.12Å; A169-L186 HydrophobicContact CB-CD2 3.56Å; A169-L186 HydrophobicContact CB-CG 4.43Å |
| 170 | D | 82.8 | Confident | 90.7 | Very high | 151 Ų | 151 | 40.6 Ų | 40.6 | 81% | 0.807 | 23% | 0.232 | S | C | * | . | trans | -66.2 | 22 | -176.5 | -66.8 | -40.7 | 0 | 0 | 0 | 115.2 | L172 | D170-L172 PolarHBondContact O-N 2.84Š| ||
| 171 | N | 89.9 | Confident | 90.6 | Very high | 43 Ų | 43 | 41.9 Ų | 41.9 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 56.9 | 11.7 | -176 | -57.6 | -22.4 | 0 | 0 | 0 | 113.8 | V8 E10 F11 I12 A169 V173 | V8-N171 HydrophobicContact CG1-CB 4.25Å; V8-N171 VanDerWaalsContact CG1-CG 3.47Å; V8-N171 WeakPolarHBondContact CG1-OD1 3.48Å; V8-N171 WeakPolarHBondContact CG2-OD1 3.5Å; E10-N171 WeakPolarHBondContact O-CB 3.49Å; E10-N171 PolarHBondContact O-ND2 2.92Å; F11-N171 CarbonylContact C-O 3.58Å; F11-N171 WeakPolarHBondContact CA-O 3.35Å; I12-N171 PolarHBondContact N-O 3.37Å; A169-N171 PolarHBondContact O-N 2.92Å; A169-N171 PolarHBondContact O-OD1 2.93Å; N171-V173 PolarHBondContact O-N 3Å |
| 172 | L | 92.6 | Very high | 90.6 | Very high | 88 Ų | 88 | 39.5 Ų | 39.5 | 46% | 0.461 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 105.4 | -176.6 | -178.6 | 68.3 | 0 | 0 | 0 | 110.3 | I12 A14 D170 N174 L186 | I12-L172 HydrophobicContact CB-CD1 4.29Å; I12-L172 HydrophobicContact CG2-CD1 4.13Å; I12-L172 CarbonylContact O-C 3.53Å; I12-L172 WeakPolarHBondContact O-CA 3.32Å; A14-L172 HydrophobicContact CB-CD1 4.23Å; D170-L172 PolarHBondContact O-N 2.84Å; L172-N174 PolarHBondContact O-N 3.48Å; L172-L186 WeakPolarHBondContact O-CD2 3.31Å |
| 173 | V | 93.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 114.8 | 172.2 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | F11 I12 L13 A14 N171 H175 P182 L183 L186 | F11-V173 HydrophobicContact CB-CG2 3.96Å; F11-V173 HydrophobicContact CD1-CG2 3.93Å; F11-V173 HydrophobicContact CG-CG2 4.12Å; I12-V173 PolarHBondContact O-N 3.43Å; L13-V173 HydrophobicContact CD2-CB 3.77Å; L13-V173 HydrophobicContact CD2-CG1 4Å; L13-V173 HydrophobicContact CD2-CG2 4.17Å; A14-V173 WeakPolarHBondContact CB-O 3.44Å; A14-V173 PolarHBondContact N-O 3.01Å; N171-V173 PolarHBondContact O-N 3Å; V173-H175 HydrophobicContact CG1-CB 3.97Å; V173-H175 PolarHBondContact O-N 2.94Å; V173-P182 HydrophobicContact CG1-CB 3.74Å; V173-L183 HydrophobicContact CG2-CD2 3.77Å; V173-L186 HydrophobicContact CG2-CD1 3.67Å |
| 174 | N | 91.2 | Very high | 90.7 | Very high | 51 Ų | 51 | 34.6 Ų | 34.6 | 27% | 0.273 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -74.7 | 55.9 | 177.9 | -172 | 20 | 0 | 0 | 0 | 112.5 | L172 D268 K271 | L172-N174 PolarHBondContact O-N 3.48Å; N174-D268 PolarHBondContact ND2-OD1 3.4Å; N174-K271 PolarHBondContact OD1-NZ 2.87Å |
| 175 | H | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -156.4 | 164.3 | -177.2 | -151.9 | -93.7 | 0 | 0 | 0 | 111 | A14 G15 V173 M177 D179 P182 K271 | A14-H175 PolarHBondContact N-O 3.32Å; G15-H175 PolarHBondContact N-O 3.17Å; G15-H175 VanDerWaalsContact N-O 3.16Å; V173-H175 HydrophobicContact CG1-CB 3.97Å; V173-H175 PolarHBondContact O-N 2.94Å; H175-M177 VanDerWaalsContact C-N 3.35Å; H175-M177 WeakPolarHBondContact CB-O 3.43Å; H175-M177 VanDerWaalsContact ND1-CG 3.28Å; H175-M177 WeakPolarHBondContact ND1-CG 3.28Å; H175-M177 PolarHBondContact ND1-N 2.98Å; H175-M177 PolarHBondContact ND1-O 3.43Å; H175-D179 IonicContact CE1-OD2 2.7Å; H175-P182 HydrophobicContact CB-CB 4.16Å; H175-P182 HydrophobicContact CB-CG 3.86Å; H175-K271 VanDerWaalsContact CD2-CG 3.44Å; H175-K271 WeakPolarHBondContact CD2-CG 3.32Å |
| 176 | F | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -86.6 | -8.1 | 176.8 | 63.7 | -95.1 | 0 | 0 | 0 | 113.9 | L16 I76 M80 K271 L275 | L16-F176 HydrophobicContact CD2-CB 4.22Å; L16-F176 HydrophobicContact CD2-CD1 3.4Å; L16-F176 HydrophobicContact CD2-CE1 4.03Å; L16-F176 HydrophobicContact CD2-CG 4.05Å; L16-F176 HydrophobicContact CG-CB 4.2Å; L16-F176 HydrophobicContact CG-CD1 4.22Å; L16-F176 HydrophobicContact CG-CG 4.41Å; I76-F176 HydrophobicContact CG2-CD2 4.14Å; I76-F176 HydrophobicContact CG2-CE2 3.71Å; M80-F176 HydrophobicContact CB-CB 4.4Å; M80-F176 HydrophobicContact CB-CD2 4.13Å; M80-F176 HydrophobicContact CG-CB 3.98Å; M80-F176 HydrophobicContact CG-CD2 4.11Å; M80-F176 HydrophobicContact CG-CG 4.28Å; M80-F176 HydrophobicContact SD-CD2 3.94Å; M80-F176 HydrophobicContact SD-CE2 4.41Å; M80-F176 HydrophobicContact SD-CG 4.25Å; F176-K271 WeakPolarHBondContact CE1-O 3.33Å; F176-L275 HydrophobicContact CE1-CD2 4.08Å; F176-L275 HydrophobicContact CZ-CD2 4.14Å |
| 177 | M | 95.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -145.6 | 163.2 | 178.8 | 62.5 | 179.3 | -162.6 | 0 | 0 | 109.7 | I76 F103 H175 D179 Y277 T278 | I76-M177 HydrophobicContact CD1-CB 3.92Å; I76-M177 HydrophobicContact CD1-CG 4.35Å; I76-M177 HydrophobicContact CD1-SD 3.57Å; I76-M177 VanDerWaalsContact CD1-SD 3.57Å; I76-M177 HydrophobicContact CG1-SD 4.08Å; I76-M177 HydrophobicContact CG2-CB 4.25Å; I76-M177 HydrophobicContact CG2-SD 3.88Å; F103-M177 HydrophobicContact CD1-CE 4.19Å; F103-M177 HydrophobicContact CD2-CE 4.36Å; F103-M177 HydrophobicContact CE1-CE 3.81Å; F103-M177 HydrophobicContact CE2-CE 3.99Å; F103-M177 HydrophobicContact CG-CE 4.46Å; F103-M177 HydrophobicContact CZ-CE 3.7Å; H175-M177 VanDerWaalsContact C-N 3.35Å; H175-M177 WeakPolarHBondContact CB-O 3.43Å; H175-M177 VanDerWaalsContact ND1-CG 3.28Å; H175-M177 WeakPolarHBondContact ND1-CG 3.28Å; H175-M177 PolarHBondContact ND1-N 2.98Å; H175-M177 PolarHBondContact ND1-O 3.43Å; M177-D179 HydrophobicContact CE-CB 4.13Å; M177-D179 WeakPolarHBondContact CE-OD2 3.43Å; M177-D179 PolarHBondContact O-N 2.85Å; M177-D179 VanDerWaalsContact O-N 3.11Å; M177-Y277 HydrophobicContact CE-CE2 4.37Å; M177-T278 HydrophobicContact CE-CG2 3.83Å; M177-T278 HydrophobicContact SD-CG2 3.91Å |
| 178 | C | 96.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -71.7 | 97.8 | 171.2 | -71.9 | 0 | 0 | 0 | 0 | 110.7 | C96 Q99 L183 | C96-C178 WeakPolarHBondContact CA-SG 3.11Å; C96-C178 HydrophobicContact CB-CB 4.08Å; C96-C178 WeakPolarHBondContact CB-SG 3.37Å; C96-C178 WeakPolarHBondContact O-CB 3.42Å; C96-C178 WeakPolarHBondContact SG-CB 3.36Å; C96-C178 CovalentContact SG-SG 2.02Å; C96-C178 PolarHBondContact SG-SG 3.41Å; Q99-C178 HydrophobicContact CB-CB 4.44Å; C178-L183 HydrophobicContact CB-CD1 4.1Å | ||
| 179 | D | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -113.8 | 155.7 | 179.8 | -160.4 | -17.3 | 0 | 0 | 0 | 110 | H175 M177 P182 L183 Y258 | H175-D179 IonicContact CE1-OD2 2.7Å; M177-D179 HydrophobicContact CE-CB 4.13Å; M177-D179 WeakPolarHBondContact CE-OD2 3.43Å; M177-D179 PolarHBondContact O-N 2.85Å; M177-D179 VanDerWaalsContact O-N 3.11Å; D179-P182 HydrophobicContact CB-CG 4.15Å; D179-P182 WeakPolarHBondContact O-CD 3.41Å; D179-L183 WeakPolarHBondContact O-CB 3.23Å; D179-L183 VanDerWaalsContact O-CD1 3.3Å; D179-L183 WeakPolarHBondContact O-CD1 3.49Å; D179-L183 WeakPolarHBondContact O-CG 3.32Å; D179-L183 PolarHBondContact O-N 3.05Å; D179-Y258 PolarHBondContact OD1-OH 3.19Å | ||
| 180 | I | 92.5 | Very high | 91.5 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 4% | 0.036 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.6 | -54 | -169.7 | -52.7 | 160.5 | 0 | 0 | 0 | 111 | L100 H158 L183 L184 V198 | L100-I180 HydrophobicContact CD1-CG1 3.65Å; H158-I180 HydrophobicContact CB-CD1 4.15Å; H158-I180 HydrophobicContact CB-CG1 4.46Å; H158-I180 WeakPolarHBondContact ND1-CD1 3.37Å; I180-L183 PolarHBondContact O-N 3.3Å; I180-L184 HydrophobicContact CG2-CD1 4.02Å; I180-L184 HydrophobicContact CG2-CG 4.34Å; I180-L184 WeakPolarHBondContact O-CG 3.33Å; I180-L184 PolarHBondContact O-N 3.21Å; I180-V198 HydrophobicContact CG2-CG2 3.53Å |
| 181 | L | 90 | Very high | 91.8 | Very high | 47 Ų | 47 | 31.4 Ų | 31.4 | 25% | 0.246 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.9 | -48.8 | -175.1 | -57.1 | 178.6 | 0 | 0 | 0 | 112.3 | L183 L184 E185 V198 Y258 | L181-L183 PolarHBondContact O-N 3.3Å; L181-L184 HydrophobicContact CD2-CD1 4.49Å; L181-L184 PolarHBondContact O-N 3.4Å; L181-E185 PolarHBondContact O-N 3.02Å; L181-V198 HydrophobicContact CD2-CG1 4.44Å; L181-Y258 HydrophobicContact CD1-CD1 3.88Å; L181-Y258 HydrophobicContact CD1-CE1 4.37Å; L181-Y258 HydrophobicContact CG-CD1 4.12Å; L181-Y258 HydrophobicContact CG-CE1 4.25Å |
| 182 | P | 91.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.7 | -30 | 175.4 | -25.1 | 36.3 | 0 | 0 | 0 | 114.2 | V173 H175 D179 L267 | V173-P182 HydrophobicContact CG1-CB 3.74Å; H175-P182 HydrophobicContact CB-CB 4.16Å; H175-P182 HydrophobicContact CB-CG 3.86Å; D179-P182 HydrophobicContact CB-CG 4.15Å; D179-P182 WeakPolarHBondContact O-CD 3.41Å; P182-L267 HydrophobicContact CG-CD2 4.15Å |
| 183 | L | 92.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -75.7 | -36.4 | 176.7 | -72.9 | 166.4 | 0 | 0 | 0 | 112 | F11 L100 L162 F167 V173 C178 D179 I180 L181 E185 L186 | F11-L183 HydrophobicContact CD1-CD2 4.39Å; F11-L183 HydrophobicContact CE1-CD2 4.12Å; F11-L183 HydrophobicContact CE2-CD2 4.39Å; F11-L183 HydrophobicContact CZ-CD2 4.11Å; L100-L183 HydrophobicContact CD2-CD1 4.27Å; L162-L183 HydrophobicContact CD1-CB 4.13Å; L162-L183 HydrophobicContact CD2-CB 3.78Å; L162-L183 HydrophobicContact CD2-CD1 3.46Å; L162-L183 VanDerWaalsContact CD2-CD1 3.46Å; L162-L183 HydrophobicContact CD2-CG 4.18Å; F167-L183 WeakPolarHBondContact CE1-O 3.11Å; V173-L183 HydrophobicContact CG2-CD2 3.77Å; C178-L183 HydrophobicContact CB-CD1 4.1Å; D179-L183 WeakPolarHBondContact O-CB 3.23Å; D179-L183 VanDerWaalsContact O-CD1 3.3Å; D179-L183 WeakPolarHBondContact O-CD1 3.49Å; D179-L183 WeakPolarHBondContact O-CG 3.32Å; D179-L183 PolarHBondContact O-N 3.05Å; I180-L183 PolarHBondContact O-N 3.3Å; L181-L183 PolarHBondContact O-N 3.3Å; L183-E185 VanDerWaalsContact C-N 3.28Å; L183-E185 PolarHBondContact O-N 3.27Å; L183-L186 PolarHBondContact O-N 2.99Å; L183-L186 VanDerWaalsContact O-N 3.15Å |
| 184 | L | 91.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.5 | -37.6 | 175.1 | -71.3 | 174.9 | 0 | 0 | 0 | 111.8 | L162 L165 I180 L181 L186 S187 T191 N194 E195 V198 | L162-L184 HydrophobicContact CD1-CD2 3.8Å; L162-L184 HydrophobicContact CD1-CG 4.27Å; L165-L184 HydrophobicContact CD1-CD2 3.54Å; I180-L184 HydrophobicContact CG2-CD1 4.02Å; I180-L184 HydrophobicContact CG2-CG 4.34Å; I180-L184 WeakPolarHBondContact O-CG 3.33Å; I180-L184 PolarHBondContact O-N 3.21Å; L181-L184 HydrophobicContact CD2-CD1 4.49Å; L181-L184 PolarHBondContact O-N 3.4Å; L184-L186 PolarHBondContact O-N 3.38Å; L184-L186 VanDerWaalsContact O-N 3.16Å; L184-S187 VanDerWaalsContact O-CB 3.32Å; L184-S187 WeakPolarHBondContact O-CB 3.33Å; L184-S187 PolarHBondContact O-N 2.85Å; L184-T191 HydrophobicContact CB-CG2 4.07Å; L184-T191 HydrophobicContact CD2-CG2 4.16Å; L184-T191 WeakPolarHBondContact O-CG2 3.34Å; L184-N194 HydrophobicContact CD1-CB 4.34Å; L184-N194 HydrophobicContact CD2-CB 3.56Å; L184-E195 HydrophobicContact CD1-CG 3.94Å; L184-V198 HydrophobicContact CD1-CG2 4.49Å |
| 185 | E | 89.4 | Confident | 91.3 | Very high | 127 Ų | 127 | 39 Ų | 39 | 59% | 0.593 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.1 | 176.7 | -67 | -167.5 | 150.2 | 0 | 0 | 114.3 | L181 L183 S187 L267 | L181-E185 PolarHBondContact O-N 3.02Å; L183-E185 VanDerWaalsContact C-N 3.28Å; L183-E185 PolarHBondContact O-N 3.27Å; E185-S187 VanDerWaalsContact C-N 3.33Å; E185-L267 WeakPolarHBondContact OE1-CD1 3.41Å; E185-L267 WeakPolarHBondContact OE2-CD1 3.33Å |
| 186 | L | 90.8 | Very high | 91.1 | Very high | 16 Ų | 16 | 42.8 Ų | 42.8 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -7.8 | 178.3 | -55.6 | -178.6 | 0 | 0 | 0 | 113 | F11 F167 C168 A169 L172 V173 L183 L184 | F11-L186 HydrophobicContact CD1-CD1 3.96Å; F11-L186 HydrophobicContact CE1-CD1 3.97Å; F167-L186 WeakPolarHBondContact CA-O 3.37Å; F167-L186 HydrophobicContact CD1-CB 3.95Å; C168-L186 PolarHBondContact N-O 2.75Å; C168-L186 VanDerWaalsContact N-O 3.11Å; A169-L186 HydrophobicContact CB-CB 4.12Å; A169-L186 HydrophobicContact CB-CD2 3.56Å; A169-L186 HydrophobicContact CB-CG 4.43Å; L172-L186 WeakPolarHBondContact O-CD2 3.31Å; V173-L186 HydrophobicContact CG2-CD1 3.67Å; L183-L186 PolarHBondContact O-N 2.99Å; L183-L186 VanDerWaalsContact O-N 3.15Å; L184-L186 PolarHBondContact O-N 3.38Å; L184-L186 VanDerWaalsContact O-N 3.16Å |
| 187 | S | 91 | Very high | 90.9 | Very high | 19 Ų | 19 | 44.6 Ų | 44.6 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -77.8 | 140.8 | -175.9 | -166.4 | 0 | 0 | 0 | 0 | 112.4 | T166 L184 E185 N189 | T166-S187 WeakPolarHBondContact O-CA 3.4Å; T166-S187 PolarHBondContact O-OG 3.13Å; L184-S187 VanDerWaalsContact O-CB 3.32Å; L184-S187 WeakPolarHBondContact O-CB 3.33Å; L184-S187 PolarHBondContact O-N 2.85Å; E185-S187 VanDerWaalsContact C-N 3.33Å; S187-N189 PolarHBondContact OG-N 2.92Å |
| 188 | C | 90.5 | Very high | 90.5 | Very high | 65 Ų | 65 | 45.1 Ų | 45.1 | 44% | 0.439 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -87.4 | -15 | 169.5 | -25.7 | 0 | 0 | 0 | 0 | 112.3 | T166 C168 | T166-C188 PolarHBondContact O-N 2.83Å; C168-C188 VanDerWaalsContact CA-SG 3.59Å; C168-C188 HydrophobicContact CB-CB 4.26Å; C168-C188 WeakPolarHBondContact CB-SG 3.5Å; C168-C188 PolarHBondContact N-SG 2.98Å; C168-C188 VanDerWaalsContact SG-CA 3.59Å; C168-C188 WeakPolarHBondContact SG-CB 3.47Å; C168-C188 CovalentContact SG-SG 1.99Å; C168-C188 PolarHBondContact SG-SG 2.85Å |
| 189 | N | 88.9 | Confident | 90.1 | Very high | 65 Ų | 65 | 51 Ų | 51 | 35% | 0.348 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -79.1 | 160.4 | -179.9 | -63.6 | 18.9 | 0 | 0 | 0 | 108.4 | L165 S187 T191 | L165-N189 HydrophobicContact CD2-CB 4.01Å; S187-N189 PolarHBondContact OG-N 2.92Å; N189-T191 PolarHBondContact O-N 3.23Å |
| 190 | S | 89.3 | Confident | 89.9 | Confident | 96 Ų | 96 | 55.1 Ų | 55.1 | 67% | 0.671 | 29% | 0.29 | S | S | * | . | trans | -61.3 | 121.1 | 166.6 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 191 | T | 89 | Confident | 89.8 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 18% | 0.178 | 30% | 0.297 | C | S | . | . | trans | -84.8 | -9.6 | 179.8 | 53.1 | 0 | 0 | 0 | 0 | 112.9 | L184 N189 I193 N194 E195 | L184-T191 HydrophobicContact CB-CG2 4.07Å; L184-T191 HydrophobicContact CD2-CG2 4.16Å; L184-T191 WeakPolarHBondContact O-CG2 3.34Å; N189-T191 PolarHBondContact O-N 3.23Å; T191-I193 VanDerWaalsContact C-N 3.34Å; T191-I193 PolarHBondContact O-N 3.43Å; T191-I193 VanDerWaalsContact O-N 3.17Å; T191-N194 CarbonylContact O-C 3.16Å; T191-N194 WeakPolarHBondContact O-CA 3.49Å; T191-N194 WeakPolarHBondContact O-CB 3.45Å; T191-N194 PolarHBondContact O-N 3.49Å; T191-E195 WeakPolarHBondContact CB-OE1 3.4Å; T191-E195 PolarHBondContact O-N 3.31Å; T191-E195 PolarHBondContact OG1-OE1 3.09Å | ||
| 192 | F | 88.7 | Confident | 89.7 | Confident | 129 Ų | 129 | 54.4 Ų | 54.4 | 57% | 0.566 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -51 | -46.4 | -171.9 | 179.5 | -100 | 0 | 0 | 0 | 114.1 | N194 L196 | F192-N194 VanDerWaalsContact C-N 3.35Å; F192-L196 WeakPolarHBondContact O-CB 3.3Å; F192-L196 PolarHBondContact O-N 3.15Å |
| 193 | I | 88.3 | Confident | 89.6 | Confident | 106 Ų | 106 | 56.1 Ų | 56.1 | 54% | 0.544 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.7 | -39.1 | 178.6 | -61.2 | -62 | 0 | 0 | 0 | 111.1 | T191 L196 V197 | T191-I193 VanDerWaalsContact C-N 3.34Å; T191-I193 PolarHBondContact O-N 3.43Å; T191-I193 VanDerWaalsContact O-N 3.17Å; I193-L196 PolarHBondContact O-N 3.11Å; I193-V197 VanDerWaalsContact O-CG2 3.29Å; I193-V197 WeakPolarHBondContact O-CG2 3.35Å; I193-V197 PolarHBondContact O-N 3.14Å |
| 194 | N | 89.7 | Confident | 89.4 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 10% | 0.096 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.6 | -44.8 | 178.9 | -58 | -87.9 | 0 | 0 | 0 | 110.8 | L184 T191 F192 L196 V197 V198 | L184-N194 HydrophobicContact CD1-CB 4.34Å; L184-N194 HydrophobicContact CD2-CB 3.56Å; T191-N194 CarbonylContact O-C 3.16Å; T191-N194 WeakPolarHBondContact O-CA 3.49Å; T191-N194 WeakPolarHBondContact O-CB 3.45Å; T191-N194 PolarHBondContact O-N 3.49Å; F192-N194 VanDerWaalsContact C-N 3.35Å; N194-L196 VanDerWaalsContact C-N 3.32Å; N194-L196 PolarHBondContact O-N 3.06Å; N194-V197 PolarHBondContact O-N 2.92Å; N194-V198 WeakPolarHBondContact O-CB 3.44Å; N194-V198 WeakPolarHBondContact O-CG2 3.2Å; N194-V198 PolarHBondContact O-N 3.05Å |
| 195 | E | 89.7 | Confident | 89.3 | Confident | 89 Ų | 89 | 60.6 Ų | 60.6 | 42% | 0.416 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 175.1 | -70.8 | 172.6 | -160.6 | 0 | 0 | 111.6 | L184 T191 V198 F199 | L184-E195 HydrophobicContact CD1-CG 3.94Å; T191-E195 WeakPolarHBondContact CB-OE1 3.4Å; T191-E195 PolarHBondContact O-N 3.31Å; T191-E195 PolarHBondContact OG1-OE1 3.09Å; E195-V198 PolarHBondContact O-N 3.24Å; E195-F199 WeakPolarHBondContact O-CB 3.48Å; E195-F199 PolarHBondContact O-N 3.24Å |
| 196 | L | 89.1 | Confident | 89.3 | Confident | 79 Ų | 79 | 55.8 Ų | 55.8 | 41% | 0.414 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 175.6 | -178.6 | 61.9 | 0 | 0 | 0 | 111.8 | F192 I193 N194 V198 F199 I200 | F192-L196 WeakPolarHBondContact O-CB 3.3Å; F192-L196 PolarHBondContact O-N 3.15Å; I193-L196 PolarHBondContact O-N 3.11Å; N194-L196 VanDerWaalsContact C-N 3.32Å; N194-L196 PolarHBondContact O-N 3.06Å; L196-V198 VanDerWaalsContact C-N 3.31Å; L196-V198 PolarHBondContact O-N 2.92Å; L196-F199 PolarHBondContact O-N 3.2Å; L196-I200 HydrophobicContact CD1-CD1 4Å; L196-I200 HydrophobicContact CD1-CG1 4.32Å; L196-I200 HydrophobicContact CG-CD1 3.94Å; L196-I200 VanDerWaalsContact O-CG1 3.29Å; L196-I200 WeakPolarHBondContact O-CG1 3.26Å; L196-I200 PolarHBondContact O-N 3.42Å |
| 197 | V | 89.7 | Confident | 89.3 | Confident | 39 Ų | 39 | 57.2 Ų | 57.2 | 24% | 0.236 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 173.9 | 171.1 | 0 | 0 | 0 | 0 | 110.1 | I193 N194 F199 I200 V201 | I193-V197 VanDerWaalsContact O-CG2 3.29Å; I193-V197 WeakPolarHBondContact O-CG2 3.35Å; I193-V197 PolarHBondContact O-N 3.14Å; N194-V197 PolarHBondContact O-N 2.92Å; V197-F199 VanDerWaalsContact C-N 3.35Å; V197-F199 PolarHBondContact O-N 3.47Å; V197-I200 PolarHBondContact O-N 3.42Å; V197-V201 HydrophobicContact CG1-CG2 4.03Å; V197-V201 WeakPolarHBondContact O-CB 3.12Å; V197-V201 VanDerWaalsContact O-CG2 3.23Å; V197-V201 WeakPolarHBondContact O-CG2 3.26Å; V197-V201 PolarHBondContact O-N 3.33Å |
| 198 | V | 88.9 | Confident | 89.5 | Confident | 11 Ų | 11 | 60 Ų | 60 | 7% | 0.067 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.3 | -49.2 | 178.4 | 170 | 0 | 0 | 0 | 0 | 111.1 | I180 L181 L184 N194 E195 L196 I200 V201 V202 | I180-V198 HydrophobicContact CG2-CG2 3.53Å; L181-V198 HydrophobicContact CD2-CG1 4.44Å; L184-V198 HydrophobicContact CD1-CG2 4.49Å; N194-V198 WeakPolarHBondContact O-CB 3.44Å; N194-V198 WeakPolarHBondContact O-CG2 3.2Å; N194-V198 PolarHBondContact O-N 3.05Å; E195-V198 PolarHBondContact O-N 3.24Å; L196-V198 VanDerWaalsContact C-N 3.31Å; L196-V198 PolarHBondContact O-N 2.92Å; V198-I200 PolarHBondContact O-N 2.62Å; V198-V201 PolarHBondContact O-N 3.43Å; V198-V202 HydrophobicContact CG1-CG2 4.15Å; V198-V202 VanDerWaalsContact O-CB 3.26Å; V198-V202 WeakPolarHBondContact O-CB 3.42Å; V198-V202 VanDerWaalsContact O-CG2 3.23Å; V198-V202 WeakPolarHBondContact O-CG2 3.5Å; V198-V202 PolarHBondContact O-N 3.04Å |
| 199 | F | 87.7 | Confident | 89.8 | Confident | 124 Ų | 124 | 56.9 Ų | 56.9 | 54% | 0.544 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 179.6 | -179.8 | -97.6 | 0 | 0 | 0 | 112.3 | E195 L196 V197 A203 L259 | E195-F199 WeakPolarHBondContact O-CB 3.48Å; E195-F199 PolarHBondContact O-N 3.24Å; L196-F199 PolarHBondContact O-N 3.2Å; V197-F199 VanDerWaalsContact C-N 3.35Å; V197-F199 PolarHBondContact O-N 3.47Å; F199-A203 WeakPolarHBondContact O-CB 3.29Å; F199-A203 PolarHBondContact O-N 2.83Å; F199-L259 HydrophobicContact CD2-CD2 4.44Å; F199-L259 HydrophobicContact CE2-CD2 4.23Å |
| 200 | I | 89.5 | Confident | 90 | Very high | 86 Ų | 86 | 57 Ų | 57 | 44% | 0.441 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.2 | -47.8 | -179.8 | -68.3 | 167.2 | 0 | 0 | 0 | 110.9 | L196 V197 V198 A203 I204 | L196-I200 HydrophobicContact CD1-CD1 4Å; L196-I200 HydrophobicContact CD1-CG1 4.32Å; L196-I200 HydrophobicContact CG-CD1 3.94Å; L196-I200 VanDerWaalsContact O-CG1 3.29Å; L196-I200 WeakPolarHBondContact O-CG1 3.26Å; L196-I200 PolarHBondContact O-N 3.42Å; V197-I200 PolarHBondContact O-N 3.42Å; V198-I200 PolarHBondContact O-N 2.62Å; I200-A203 PolarHBondContact O-N 3.1Å; I200-I204 HydrophobicContact CG2-CD1 4Å; I200-I204 WeakPolarHBondContact O-CG1 3.49Å; I200-I204 PolarHBondContact O-N 2.78Å; I200-I204 VanDerWaalsContact O-N 3.08Å |
| 201 | V | 89.9 | Confident | 90.4 | Very high | 30 Ų | 30 | 56.2 Ų | 56.2 | 18% | 0.182 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.4 | -48.8 | -176 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | E154 V197 V198 A203 I204 D205 | E154-V201 HydrophobicContact CB-CG1 4.11Å; E154-V201 HydrophobicContact CG-CG1 3.45Å; E154-V201 VanDerWaalsContact CG-CG1 3.45Å; V197-V201 HydrophobicContact CG1-CG2 4.03Å; V197-V201 WeakPolarHBondContact O-CB 3.12Å; V197-V201 VanDerWaalsContact O-CG2 3.23Å; V197-V201 WeakPolarHBondContact O-CG2 3.26Å; V197-V201 PolarHBondContact O-N 3.33Å; V198-V201 PolarHBondContact O-N 3.43Å; V201-A203 VanDerWaalsContact C-N 3.31Å; V201-A203 PolarHBondContact O-N 2.8Å; V201-I204 PolarHBondContact O-N 3.23Å; V201-I204 VanDerWaalsContact O-N 3.12Å; V201-D205 PolarHBondContact O-N 2.97Å |
| 202 | V | 87.8 | Confident | 90.8 | Very high | 9 Ų | 9 | 56.6 Ų | 56.6 | 6% | 0.055 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62 | -38 | 175.9 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | V198 I204 D205 I206 Y258 | V198-V202 HydrophobicContact CG1-CG2 4.15Å; V198-V202 VanDerWaalsContact O-CB 3.26Å; V198-V202 WeakPolarHBondContact O-CB 3.42Å; V198-V202 VanDerWaalsContact O-CG2 3.23Å; V198-V202 WeakPolarHBondContact O-CG2 3.5Å; V198-V202 PolarHBondContact O-N 3.04Å; V202-I204 VanDerWaalsContact C-N 3.32Å; V202-I204 PolarHBondContact O-N 3.4Å; V202-D205 PolarHBondContact O-N 3Å; V202-I206 HydrophobicContact CG1-CD1 3.61Å; V202-I206 HydrophobicContact CG1-CG1 4.2Å; V202-I206 WeakPolarHBondContact O-CB 3.42Å; V202-I206 VanDerWaalsContact O-CG1 3.24Å; V202-I206 WeakPolarHBondContact O-CG1 3.3Å; V202-I206 PolarHBondContact O-N 3.04Å; V202-Y258 HydrophobicContact CG1-CG 4.46Å |
| 203 | A | 88.7 | Confident | 91.2 | Very high | 36 Ų | 36 | 50.8 Ų | 50.8 | 30% | 0.298 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F199 I200 V201 A207 | F199-A203 WeakPolarHBondContact O-CB 3.29Å; F199-A203 PolarHBondContact O-N 2.83Å; I200-A203 PolarHBondContact O-N 3.1Å; V201-A203 VanDerWaalsContact C-N 3.31Å; V201-A203 PolarHBondContact O-N 2.8Å; A203-A207 WeakPolarHBondContact O-CB 3.37Å; A203-A207 PolarHBondContact O-N 2.96Å |
| 204 | I | 89.2 | Confident | 91.6 | Very high | 85 Ų | 85 | 52.7 Ų | 52.7 | 44% | 0.436 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.7 | -46.8 | 175.7 | -67.8 | 167.1 | 0 | 0 | 0 | 110.8 | I200 V201 V202 I206 A207 V208 | I200-I204 HydrophobicContact CG2-CD1 4Å; I200-I204 WeakPolarHBondContact O-CG1 3.49Å; I200-I204 PolarHBondContact O-N 2.78Å; I200-I204 VanDerWaalsContact O-N 3.08Å; V201-I204 PolarHBondContact O-N 3.23Å; V201-I204 VanDerWaalsContact O-N 3.12Å; V202-I204 VanDerWaalsContact C-N 3.32Å; V202-I204 PolarHBondContact O-N 3.4Å; I204-I206 VanDerWaalsContact C-N 3.25Å; I204-I206 PolarHBondContact O-N 3.01Å; I204-A207 PolarHBondContact O-N 2.98Å; I204-V208 HydrophobicContact CG2-CG2 4.16Å; I204-V208 PolarHBondContact O-N 3.49Å |
| 205 | D | 89.5 | Confident | 92 | Very high | 14 Ų | 14 | 56.2 Ų | 56.2 | 8% | 0.075 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.3 | -32.1 | 176.7 | 174.8 | 57.1 | 0 | 0 | 0 | 112.6 | T111 F112 E154 V201 V202 P209 | T111-D205 PolarHBondContact OG1-OD1 3.46Å; F112-D205 WeakPolarHBondContact CE2-OD1 3.22Å; E154-D205 WeakPolarHBondContact OE2-CB 3.49Å; V201-D205 PolarHBondContact O-N 2.97Å; V202-D205 PolarHBondContact O-N 3Å; D205-P209 WeakPolarHBondContact O-CD 3.28Å; D205-P209 WeakPolarHBondContact O-CG 3.42Å |
| 206 | I | 89.4 | Confident | 92.3 | Very high | 26 Ų | 26 | 52.2 Ų | 52.2 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -78.2 | -50.2 | 173.4 | -69.2 | 175.5 | 0 | 0 | 0 | 110.1 | V202 I204 I210 L259 | V202-I206 HydrophobicContact CG1-CD1 3.61Å; V202-I206 HydrophobicContact CG1-CG1 4.2Å; V202-I206 WeakPolarHBondContact O-CB 3.42Å; V202-I206 VanDerWaalsContact O-CG1 3.24Å; V202-I206 WeakPolarHBondContact O-CG1 3.3Å; V202-I206 PolarHBondContact O-N 3.04Å; I204-I206 VanDerWaalsContact C-N 3.25Å; I204-I206 PolarHBondContact O-N 3.01Å; I206-I210 HydrophobicContact CG2-CD1 3.47Å; I206-I210 VanDerWaalsContact CG2-CD1 3.47Å; I206-I210 HydrophobicContact CG2-CG1 4.3Å; I206-I210 WeakPolarHBondContact O-CB 3.3Å; I206-I210 WeakPolarHBondContact O-CG1 3.35Å; I206-I210 PolarHBondContact O-N 2.73Å; I206-L259 HydrophobicContact CD1-CD1 3.93Å; I206-L259 HydrophobicContact CD1-CG 4.34Å |
| 207 | A | 91.8 | Very high | 92.7 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 39% | 0.388 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66 | -46.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A203 I204 I210 V211 | A203-A207 WeakPolarHBondContact O-CB 3.37Å; A203-A207 PolarHBondContact O-N 2.96Å; I204-A207 PolarHBondContact O-N 2.98Å; A207-I210 PolarHBondContact O-N 2.93Å; A207-V211 VanDerWaalsContact O-CB 3.27Å; A207-V211 WeakPolarHBondContact O-CB 3.4Å; A207-V211 WeakPolarHBondContact O-CG2 3.49Å; A207-V211 PolarHBondContact O-N 3.4Å |
| 208 | V | 94.7 | Very high | 93 | Very high | 77 Ų | 77 | 50 Ų | 50 | 47% | 0.467 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.6 | -53.6 | -173.2 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | F112 I204 S212 | F112-V208 HydrophobicContact CE1-CB 4.44Å; F112-V208 HydrophobicContact CE1-CG1 3.84Å; F112-V208 HydrophobicContact CZ-CB 4.45Å; F112-V208 HydrophobicContact CZ-CG1 4.3Å; I204-V208 HydrophobicContact CG2-CG2 4.16Å; I204-V208 PolarHBondContact O-N 3.49Å; V208-S212 WeakPolarHBondContact O-CB 3.43Å; V208-S212 PolarHBondContact O-N 3.43Å; V208-S212 VanDerWaalsContact O-N 3.13Å |
| 209 | P | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 172.4 | -26.8 | 39.2 | 0 | 0 | 0 | 113.4 | F112 D205 V211 S212 I213 F251 | F112-P209 HydrophobicContact CD1-CG 4.17Å; F112-P209 HydrophobicContact CD2-CG 4.18Å; F112-P209 HydrophobicContact CE1-CG 4.01Å; F112-P209 HydrophobicContact CE2-CG 4.01Å; F112-P209 HydrophobicContact CG-CG 4.26Å; F112-P209 HydrophobicContact CZ-CG 3.92Å; D205-P209 WeakPolarHBondContact O-CD 3.28Å; D205-P209 WeakPolarHBondContact O-CG 3.42Å; P209-V211 PolarHBondContact O-N 3.48Å; P209-S212 PolarHBondContact O-N 3.36Å; P209-I213 WeakPolarHBondContact O-CB 3.19Å; P209-I213 WeakPolarHBondContact O-CD1 3.27Å; P209-I213 WeakPolarHBondContact O-CG1 3.41Å; P209-I213 PolarHBondContact O-N 3.43Å; P209-F251 HydrophobicContact CB-CE1 3.99Å; P209-F251 HydrophobicContact CB-CZ 3.57Å; P209-F251 HydrophobicContact CG-CZ 4.42Å |
| 210 | I | 94.1 | Very high | 93.8 | Very high | 67 Ų | 67 | 47.4 Ų | 47.4 | 34% | 0.344 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | -178.2 | -73 | -174.7 | 0 | 0 | 0 | 111.4 | I206 A207 S212 I213 F214 F251 | I206-I210 HydrophobicContact CG2-CD1 3.47Å; I206-I210 VanDerWaalsContact CG2-CD1 3.47Å; I206-I210 HydrophobicContact CG2-CG1 4.3Å; I206-I210 WeakPolarHBondContact O-CB 3.3Å; I206-I210 WeakPolarHBondContact O-CG1 3.35Å; I206-I210 PolarHBondContact O-N 2.73Å; A207-I210 PolarHBondContact O-N 2.93Å; I210-S212 VanDerWaalsContact C-N 3.35Å; I210-S212 PolarHBondContact O-N 2.97Å; I210-I213 PolarHBondContact O-N 3.37Å; I210-F214 WeakPolarHBondContact O-CB 3.41Å; I210-F214 PolarHBondContact O-N 3.48Å; I210-F251 HydrophobicContact CD1-CB 4.04Å; I210-F251 HydrophobicContact CD1-CD1 3.68Å; I210-F251 HydrophobicContact CD1-CE1 4.36Å; I210-F251 HydrophobicContact CD1-CG 3.95Å; I210-F251 HydrophobicContact CG1-CD1 3.59Å; I210-F251 HydrophobicContact CG1-CD2 4.42Å; I210-F251 HydrophobicContact CG1-CE1 3.81Å; I210-F251 HydrophobicContact CG1-CG 3.92Å; I210-F251 HydrophobicContact CG1-CZ 4.3Å |
| 211 | V | 96.6 | Very high | 94 | Very high | 79 Ų | 79 | 47.6 Ų | 47.6 | 48% | 0.479 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 178.5 | 169 | 0 | 0 | 0 | 0 | 110.5 | A207 P209 F214 I215 | A207-V211 VanDerWaalsContact O-CB 3.27Å; A207-V211 WeakPolarHBondContact O-CB 3.4Å; A207-V211 WeakPolarHBondContact O-CG2 3.49Å; A207-V211 PolarHBondContact O-N 3.4Å; P209-V211 PolarHBondContact O-N 3.48Å; V211-F214 PolarHBondContact O-N 2.92Å; V211-I215 HydrophobicContact CG1-CD1 3.72Å; V211-I215 HydrophobicContact CG1-CG1 4.4Å; V211-I215 WeakPolarHBondContact O-CB 3.27Å; V211-I215 VanDerWaalsContact O-CG1 3.29Å; V211-I215 WeakPolarHBondContact O-CG1 3.44Å; V211-I215 PolarHBondContact O-N 2.88Å |
| 212 | S | 97 | Very high | 94.3 | Very high | 37 Ų | 37 | 48.5 Ų | 48.5 | 26% | 0.259 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60 | -46.7 | 176 | 175.6 | 0 | 0 | 0 | 0 | 112.3 | S115 V208 P209 I210 S216 | S115-S212 WeakPolarHBondContact OG-CB 3.23Å; S115-S212 PolarHBondContact OG-OG 2.97Å; V208-S212 WeakPolarHBondContact O-CB 3.43Å; V208-S212 PolarHBondContact O-N 3.43Å; V208-S212 VanDerWaalsContact O-N 3.13Å; P209-S212 PolarHBondContact O-N 3.36Å; I210-S212 VanDerWaalsContact C-N 3.35Å; I210-S212 PolarHBondContact O-N 2.97Å; S212-S216 WeakPolarHBondContact O-CB 3.32Å; S212-S216 PolarHBondContact O-N 3.46Å; S212-S216 PolarHBondContact O-OG 2.99Å |
| 213 | I | 97.2 | Very high | 94.5 | Very high | 7 Ų | 7 | 49.6 Ų | 49.6 | 4% | 0.036 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 176.6 | -68.1 | 164.2 | 0 | 0 | 0 | 109.9 | A118 P209 I210 I215 S216 Y217 V247 F251 | A118-I213 HydrophobicContact CB-CB 4.33Å; A118-I213 HydrophobicContact CB-CG1 3.87Å; A118-I213 HydrophobicContact CB-CG2 4.4Å; P209-I213 WeakPolarHBondContact O-CB 3.19Å; P209-I213 WeakPolarHBondContact O-CD1 3.27Å; P209-I213 WeakPolarHBondContact O-CG1 3.41Å; P209-I213 PolarHBondContact O-N 3.43Å; I210-I213 PolarHBondContact O-N 3.37Å; I213-I215 PolarHBondContact O-N 3.19Å; I213-S216 PolarHBondContact O-N 3.06Å; I213-Y217 HydrophobicContact CG2-CD2 3.87Å; I213-Y217 HydrophobicContact CG2-CE2 4.19Å; I213-Y217 WeakPolarHBondContact O-CB 3.35Å; I213-Y217 VanDerWaalsContact O-CD2 3.3Å; I213-Y217 WeakPolarHBondContact O-CD2 3.39Å; I213-Y217 PolarHBondContact O-N 2.92Å; I213-V247 HydrophobicContact CD1-CG1 4.03Å; I213-V247 HydrophobicContact CD1-CG2 4.02Å; I213-V247 HydrophobicContact CG2-CG1 4.27Å; I213-F251 HydrophobicContact CD1-CE2 3.85Å; I213-F251 HydrophobicContact CD1-CZ 4.27Å |
| 214 | F | 96.6 | Very high | 94.7 | Very high | 147 Ų | 147 | 48 Ų | 48 | 65% | 0.645 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -59.9 | -48.5 | -178.8 | -179.2 | -97.8 | 0 | 0 | 0 | 111.8 | I210 V211 S216 Y217 A218 | I210-F214 WeakPolarHBondContact O-CB 3.41Å; I210-F214 PolarHBondContact O-N 3.48Å; V211-F214 PolarHBondContact O-N 2.92Å; F214-S216 PolarHBondContact O-N 2.85Å; F214-Y217 PolarHBondContact O-N 3.45Å; F214-A218 VanDerWaalsContact O-CB 3.3Å; F214-A218 WeakPolarHBondContact O-CB 3.27Å; F214-A218 PolarHBondContact O-N 2.99Å |
| 215 | I | 97.8 | Very high | 94.8 | Very high | 92 Ų | 92 | 49.4 Ų | 49.4 | 47% | 0.472 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60 | -48.6 | 177.1 | -68.7 | 168.7 | 0 | 0 | 0 | 110.3 | V211 I213 Y217 A218 L219 | V211-I215 HydrophobicContact CG1-CD1 3.72Å; V211-I215 HydrophobicContact CG1-CG1 4.4Å; V211-I215 WeakPolarHBondContact O-CB 3.27Å; V211-I215 VanDerWaalsContact O-CG1 3.29Å; V211-I215 WeakPolarHBondContact O-CG1 3.44Å; V211-I215 PolarHBondContact O-N 2.88Å; I213-I215 PolarHBondContact O-N 3.19Å; I215-Y217 VanDerWaalsContact C-N 3.3Å; I215-Y217 PolarHBondContact O-N 3.25Å; I215-A218 PolarHBondContact O-N 3.45Å; I215-L219 HydrophobicContact CG2-CD1 4.04Å; I215-L219 WeakPolarHBondContact O-CG 3.32Å; I215-L219 PolarHBondContact O-N 3Å; I215-L219 VanDerWaalsContact O-N 3.07Å |
| 216 | S | 97.8 | Very high | 95 | Very high | 5 Ų | 5 | 58 Ų | 58 | 4% | 0.035 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.3 | -46.4 | 179.5 | -61.9 | 0 | 0 | 0 | 0 | 111.2 | S212 I213 F214 L219 I220 | S212-S216 WeakPolarHBondContact O-CB 3.32Å; S212-S216 PolarHBondContact O-N 3.46Å; S212-S216 PolarHBondContact O-OG 2.99Å; I213-S216 PolarHBondContact O-N 3.06Å; F214-S216 PolarHBondContact O-N 2.85Å; S216-L219 PolarHBondContact O-N 3.43Å; S216-I220 WeakPolarHBondContact O-CD1 3.23Å; S216-I220 WeakPolarHBondContact O-CG1 3.37Å; S216-I220 PolarHBondContact O-N 3.19Å |
| 217 | Y | 96.8 | Very high | 95.1 | Very high | 23 Ų | 23 | 59.1 Ų | 59.1 | 9% | 0.09 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -76.7 | -31.6 | -177.5 | -87.4 | -96.9 | 0 | 0 | 0 | 114.3 | A118 I213 F214 I215 L219 I220 L221 C240 H243 L244 | A118-Y217 HydrophobicContact CB-CD2 4.17Å; A118-Y217 HydrophobicContact CB-CE2 3.74Å; I213-Y217 HydrophobicContact CG2-CD2 3.87Å; I213-Y217 HydrophobicContact CG2-CE2 4.19Å; I213-Y217 WeakPolarHBondContact O-CB 3.35Å; I213-Y217 VanDerWaalsContact O-CD2 3.3Å; I213-Y217 WeakPolarHBondContact O-CD2 3.39Å; I213-Y217 PolarHBondContact O-N 2.92Å; F214-Y217 PolarHBondContact O-N 3.45Å; I215-Y217 VanDerWaalsContact C-N 3.3Å; I215-Y217 PolarHBondContact O-N 3.25Å; Y217-L219 VanDerWaalsContact C-N 3.32Å; Y217-I220 HydrophobicContact CD2-CD1 4.48Å; Y217-I220 HydrophobicContact CG-CD1 4.46Å; Y217-I220 PolarHBondContact O-N 3.3Å; Y217-L221 VanDerWaalsContact O-CB 3.28Å; Y217-L221 WeakPolarHBondContact O-CB 3.32Å; Y217-L221 PolarHBondContact O-N 2.96Å; Y217-C240 HydrophobicContact CD1-CB 4.39Å; Y217-C240 HydrophobicContact CE1-CB 3.63Å; Y217-C240 PolarHBondContact OH-O 3.22Å; Y217-H243 AromaticContact CE2-ND1 3.74Å; Y217-H243 AromaticContact CZ-ND1 3.69Å; Y217-H243 VanDerWaalsContact OH-CB 3.23Å; Y217-H243 WeakPolarHBondContact OH-CB 3.37Å; Y217-H243 VanDerWaalsContact OH-CG 3.29Å; Y217-H243 PolarHBondContact OH-ND1 3.33Å; Y217-L244 HydrophobicContact CD1-CD1 3.61Å; Y217-L244 HydrophobicContact CD1-CD2 3.73Å; Y217-L244 HydrophobicContact CD1-CG 3.73Å; Y217-L244 HydrophobicContact CD2-CD2 4.2Å; Y217-L244 HydrophobicContact CE1-CD1 3.61Å; Y217-L244 HydrophobicContact CE1-CD2 3.72Å; Y217-L244 HydrophobicContact CE1-CG 3.37Å; Y217-L244 HydrophobicContact CE2-CD2 4.22Å; Y217-L244 HydrophobicContact CG-CD2 3.95Å; Y217-L244 HydrophobicContact CG-CG 4.44Å |
| 218 | A | 96.6 | Very high | 95 | Very high | 47 Ų | 47 | 66 Ų | 66 | 39% | 0.388 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F214 I215 L221 S222 | F214-A218 VanDerWaalsContact O-CB 3.3Å; F214-A218 WeakPolarHBondContact O-CB 3.27Å; F214-A218 PolarHBondContact O-N 2.99Å; I215-A218 PolarHBondContact O-N 3.45Å; A218-L221 PolarHBondContact O-N 3.4Å; A218-S222 WeakPolarHBondContact O-CB 3.48Å; A218-S222 PolarHBondContact O-N 3.46Å |
| 219 | L | 96.6 | Very high | 94.8 | Very high | 78 Ų | 78 | 65.5 Ų | 65.5 | 41% | 0.408 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.9 | -43.6 | 175.9 | -66.2 | 175 | 0 | 0 | 0 | 112.1 | Y122 I215 S216 Y217 L221 S222 S223 | Y122-L219 HydrophobicContact CD2-CB 3.8Å; Y122-L219 HydrophobicContact CD2-CD1 4.05Å; Y122-L219 HydrophobicContact CE2-CB 3.81Å; Y122-L219 HydrophobicContact CE2-CD1 3.56Å; Y122-L219 HydrophobicContact CE2-CG 4.32Å; I215-L219 HydrophobicContact CG2-CD1 4.04Å; I215-L219 WeakPolarHBondContact O-CG 3.32Å; I215-L219 PolarHBondContact O-N 3Å; I215-L219 VanDerWaalsContact O-N 3.07Å; S216-L219 PolarHBondContact O-N 3.43Å; Y217-L219 VanDerWaalsContact C-N 3.32Å; L219-L221 VanDerWaalsContact C-N 3.35Å; L219-L221 PolarHBondContact O-N 3.48Å; L219-S222 PolarHBondContact O-N 3.15Å; L219-S223 WeakPolarHBondContact O-CB 3.18Å; L219-S223 PolarHBondContact O-N 2.92Å |
| 220 | I | 96 | Very high | 94.5 | Very high | 4 Ų | 4 | 70.9 Ų | 70.9 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.8 | -48.9 | 174 | -70.1 | 162.3 | 0 | 0 | 0 | 110.4 | R121 I125 S216 Y217 S222 S223 V224 | R121-I220 HydrophobicContact CB-CD1 4.05Å; I125-I220 HydrophobicContact CD1-CG1 4.46Å; I125-I220 HydrophobicContact CD1-CG2 3.93Å; I125-I220 HydrophobicContact CG2-CG2 4.36Å; S216-I220 WeakPolarHBondContact O-CD1 3.23Å; S216-I220 WeakPolarHBondContact O-CG1 3.37Å; S216-I220 PolarHBondContact O-N 3.19Å; Y217-I220 HydrophobicContact CD2-CD1 4.48Å; Y217-I220 HydrophobicContact CG-CD1 4.46Å; Y217-I220 PolarHBondContact O-N 3.3Å; I220-S222 VanDerWaalsContact C-N 3.33Å; I220-S222 PolarHBondContact O-N 2.89Å; I220-S223 WeakPolarHBondContact O-CB 3.46Å; I220-S223 PolarHBondContact O-N 2.93Å; I220-V224 HydrophobicContact CG2-CG2 4Å; I220-V224 WeakPolarHBondContact O-CB 3.19Å; I220-V224 VanDerWaalsContact O-CG2 3.25Å; I220-V224 WeakPolarHBondContact O-CG2 3.49Å; I220-V224 PolarHBondContact O-N 3.5Å |
| 221 | L | 94.4 | Very high | 94.2 | Very high | 90 Ų | 90 | 75.1 Ų | 75.1 | 47% | 0.471 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.2 | -46.7 | -179.7 | -180 | 61.1 | 0 | 0 | 0 | 110.9 | Y217 A218 L219 S223 V224 L225 | Y217-L221 VanDerWaalsContact O-CB 3.28Å; Y217-L221 WeakPolarHBondContact O-CB 3.32Å; Y217-L221 PolarHBondContact O-N 2.96Å; A218-L221 PolarHBondContact O-N 3.4Å; L219-L221 VanDerWaalsContact C-N 3.35Å; L219-L221 PolarHBondContact O-N 3.48Å; L221-S223 VanDerWaalsContact C-N 3.32Å; L221-S223 PolarHBondContact O-N 2.93Å; L221-V224 PolarHBondContact O-N 2.97Å; L221-L225 HydrophobicContact CD1-CD1 4.32Å; L221-L225 HydrophobicContact CD1-CG 4.25Å; L221-L225 HydrophobicContact CG-CD1 4.17Å; L221-L225 WeakPolarHBondContact O-CB 3.28Å; L221-L225 VanDerWaalsContact O-CG 3.25Å; L221-L225 WeakPolarHBondContact O-CG 3.49Å; L221-L225 PolarHBondContact O-N 3.49Å |
| 222 | S | 94.5 | Very high | 93.7 | Very high | 49 Ų | 49 | 72.6 Ų | 72.6 | 34% | 0.343 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.3 | -44.3 | 175.6 | -175 | 0 | 0 | 0 | 0 | 112.3 | A218 L219 I220 R226 | A218-S222 WeakPolarHBondContact O-CB 3.48Å; A218-S222 PolarHBondContact O-N 3.46Å; L219-S222 PolarHBondContact O-N 3.15Å; I220-S222 VanDerWaalsContact C-N 3.33Å; I220-S222 PolarHBondContact O-N 2.89Å; S222-R226 WeakPolarHBondContact O-CG 3.46Å; S222-R226 PolarHBondContact O-N 3.36Å |
| 223 | S | 93.4 | Very high | 93.4 | Very high | 32 Ų | 32 | 75.7 Ų | 75.7 | 22% | 0.224 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 176.8 | -177.2 | 0 | 0 | 0 | 0 | 112 | C126 L219 I220 L221 L225 R226 M227 | C126-S223 VanDerWaalsContact SG-CB 3.58Å; L219-S223 WeakPolarHBondContact O-CB 3.18Å; L219-S223 PolarHBondContact O-N 2.92Å; I220-S223 WeakPolarHBondContact O-CB 3.46Å; I220-S223 PolarHBondContact O-N 2.93Å; L221-S223 VanDerWaalsContact C-N 3.32Å; L221-S223 PolarHBondContact O-N 2.93Å; S223-L225 VanDerWaalsContact C-N 3.33Å; S223-L225 PolarHBondContact O-N 3.28Å; S223-R226 WeakPolarHBondContact O-CB 3.31Å; S223-R226 PolarHBondContact O-N 3.41Å; S223-M227 WeakPolarHBondContact O-CG 3.21Å; S223-M227 PolarHBondContact O-N 3.38Å |
| 224 | V | 92.3 | Very high | 93 | Very high | 3 Ų | 3 | 79.3 Ų | 79.3 | 2% | 0.018 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.2 | -37.4 | -179.7 | 170.9 | 0 | 0 | 0 | 0 | 111.8 | I125 I220 L221 R226 M227 R233 A236 F237 | I125-V224 HydrophobicContact CG2-CG2 4.29Å; I220-V224 HydrophobicContact CG2-CG2 4Å; I220-V224 WeakPolarHBondContact O-CB 3.19Å; I220-V224 VanDerWaalsContact O-CG2 3.25Å; I220-V224 WeakPolarHBondContact O-CG2 3.49Å; I220-V224 PolarHBondContact O-N 3.5Å; L221-V224 PolarHBondContact O-N 2.97Å; V224-R226 PolarHBondContact O-N 3.46Å; V224-M227 HydrophobicContact CG2-CE 3.88Å; V224-M227 HydrophobicContact CG2-SD 4.32Å; V224-M227 PolarHBondContact O-N 2.7Å; V224-R233 HydrophobicContact CG1-CB 4.4Å; V224-R233 HydrophobicContact CG1-CG 4.12Å; V224-A236 HydrophobicContact CG2-CB 3.53Å; V224-F237 HydrophobicContact CG1-CD2 4.21Å; V224-F237 HydrophobicContact CG1-CE2 3.6Å; V224-F237 HydrophobicContact CG1-CZ 3.9Å |
| 225 | L | 91.9 | Very high | 92.6 | Very high | 114 Ų | 114 | 79.8 Ų | 79.8 | 60% | 0.597 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.8 | -23.7 | 175.3 | -70.8 | 173.9 | 0 | 0 | 0 | 112.8 | L221 S223 | L221-L225 HydrophobicContact CD1-CD1 4.32Å; L221-L225 HydrophobicContact CD1-CG 4.25Å; L221-L225 HydrophobicContact CG-CD1 4.17Å; L221-L225 WeakPolarHBondContact O-CB 3.28Å; L221-L225 VanDerWaalsContact O-CG 3.25Å; L221-L225 WeakPolarHBondContact O-CG 3.49Å; L221-L225 PolarHBondContact O-N 3.49Å; S223-L225 VanDerWaalsContact C-N 3.33Å; S223-L225 PolarHBondContact O-N 3.28Å |
| 226 | R | 92.7 | Very high | 92.1 | Very high | 195 Ų | 195 | 75.7 Ų | 75.7 | 74% | 0.736 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -91.3 | -10.2 | 176.3 | -64.7 | 174.2 | -178.3 | -173.8 | -0.1 | 113.6 | S222 S223 V224 H228 | S222-R226 WeakPolarHBondContact O-CG 3.46Å; S222-R226 PolarHBondContact O-N 3.36Å; S223-R226 WeakPolarHBondContact O-CB 3.31Å; S223-R226 PolarHBondContact O-N 3.41Å; V224-R226 PolarHBondContact O-N 3.46Å; R226-H228 PolarHBondContact O-N 3.44Å |
| 227 | M | 91.1 | Very high | 91.7 | Very high | 49 Ų | 49 | 80.1 Ų | 80.1 | 24% | 0.241 | 42% | 0.415 | C | S | . | . | trans | -72.2 | 129.1 | 179.3 | -70.3 | 177.5 | -160.2 | 0 | 0 | 111.4 | I125 S223 V224 R233 | I125-M227 HydrophobicContact CG2-CE 3.37Å; S223-M227 WeakPolarHBondContact O-CG 3.21Å; S223-M227 PolarHBondContact O-N 3.38Å; V224-M227 HydrophobicContact CG2-CE 3.88Å; V224-M227 HydrophobicContact CG2-SD 4.32Å; V224-M227 PolarHBondContact O-N 2.7Å; M227-R233 HydrophobicContact CB-CG 3.88Å; M227-R233 WeakPolarHBondContact O-CD 3.42Å | ||
| 228 | H | 90.2 | Very high | 91.2 | Very high | 192 Ų | 192 | 81.9 Ų | 81.9 | 89% | 0.889 | 43% | 0.43 | S | S | * | . | trans | -81.4 | -25.3 | 173.7 | -66.5 | -70.1 | 0 | 0 | 0 | 113.2 | R226 T230 | R226-H228 PolarHBondContact O-N 3.44Å; H228-T230 PolarHBondContact O-N 2.67Å | ||
| 229 | S | 90.9 | Very high | 90.8 | Very high | 65 Ų | 65 | 82.1 Ų | 82.1 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | trans | -74.8 | 117.1 | 179.3 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | E231 G232 R233 | S229-E231 VanDerWaalsContact C-N 3.31Å; S229-E231 PolarHBondContact O-N 3.29Å; S229-G232 PolarHBondContact O-N 2.84Å; S229-G232 PolarHBondContact OG-N 3.21Å; S229-G232 VanDerWaalsContact OG-N 3.08Å; S229-R233 WeakPolarHBondContact O-CG 3.47Å; S229-R233 PolarHBondContact O-N 3.45Å | ||
| 230 | T | 89.6 | Confident | 90.5 | Very high | 114 Ų | 114 | 78.9 Ų | 78.9 | 70% | 0.699 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62 | -38.8 | 173.9 | 48.6 | 0 | 0 | 0 | 0 | 111.7 | H228 R233 S234 | H228-T230 PolarHBondContact O-N 2.67Å; T230-R233 PolarHBondContact O-N 2.99Å; T230-S234 WeakPolarHBondContact O-CB 3.08Å; T230-S234 PolarHBondContact O-N 2.96Å |
| 231 | E | 88.9 | Confident | 90.3 | Very high | 156 Ų | 156 | 81.2 Ų | 81.2 | 73% | 0.729 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64.6 | -46.3 | 175.4 | -174 | -179.8 | -176.8 | 0 | 0 | 111.3 | S229 R233 S234 K235 | S229-E231 VanDerWaalsContact C-N 3.31Å; S229-E231 PolarHBondContact O-N 3.29Å; E231-R233 VanDerWaalsContact C-N 3.34Å; E231-R233 PolarHBondContact O-N 3.48Å; E231-S234 PolarHBondContact O-N 3.34Å; E231-K235 WeakPolarHBondContact O-CB 2.99Å; E231-K235 PolarHBondContact O-N 2.84Å |
| 232 | G | 86.3 | Confident | 90.1 | Very high | 26 Ų | 26 | 77.3 Ų | 77.3 | 27% | 0.268 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57.9 | -45.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | S229 K235 A236 | S229-G232 PolarHBondContact O-N 2.84Å; S229-G232 PolarHBondContact OG-N 3.21Å; S229-G232 VanDerWaalsContact OG-N 3.08Å; G232-K235 PolarHBondContact O-N 2.96Å; G232-A236 WeakPolarHBondContact O-CB 3.41Å; G232-A236 PolarHBondContact O-N 3.46Å |
| 233 | R | 89.8 | Confident | 90.1 | Very high | 101 Ų | 101 | 75 Ų | 75 | 38% | 0.381 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.7 | -50.6 | 175 | -71.7 | 175.3 | 64.1 | 179.2 | 0.9 | 111.8 | V224 M227 S229 T230 E231 K235 A236 F237 | V224-R233 HydrophobicContact CG1-CB 4.4Å; V224-R233 HydrophobicContact CG1-CG 4.12Å; M227-R233 HydrophobicContact CB-CG 3.88Å; M227-R233 WeakPolarHBondContact O-CD 3.42Å; S229-R233 WeakPolarHBondContact O-CG 3.47Å; S229-R233 PolarHBondContact O-N 3.45Å; T230-R233 PolarHBondContact O-N 2.99Å; E231-R233 VanDerWaalsContact C-N 3.34Å; E231-R233 PolarHBondContact O-N 3.48Å; R233-K235 VanDerWaalsContact C-N 3.34Å; R233-K235 PolarHBondContact O-N 3.21Å; R233-A236 PolarHBondContact O-N 2.85Å; R233-F237 WeakPolarHBondContact O-CD2 3.45Å; R233-F237 PolarHBondContact O-N 2.89Å |
| 234 | S | 88.5 | Confident | 90.1 | Very high | 83 Ų | 83 | 76.5 Ų | 76.5 | 58% | 0.58 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.1 | -44.1 | -179.3 | -177.8 | 0 | 0 | 0 | 0 | 112.1 | T230 E231 F237 S238 | T230-S234 WeakPolarHBondContact O-CB 3.08Å; T230-S234 PolarHBondContact O-N 2.96Å; E231-S234 PolarHBondContact O-N 3.34Å; S234-F237 PolarHBondContact O-N 3.41Å; S234-S238 WeakPolarHBondContact O-CB 3.47Å; S234-S238 PolarHBondContact O-N 2.9Å |
| 235 | K | 87.5 | Confident | 90.1 | Very high | 157 Ų | 157 | 80.3 Ų | 80.3 | 68% | 0.683 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.8 | -46.7 | 175.7 | -173.6 | 177.8 | -180 | -177.9 | 0 | 111.6 | E231 G232 R233 S238 T239 | E231-K235 WeakPolarHBondContact O-CB 2.99Å; E231-K235 PolarHBondContact O-N 2.84Å; G232-K235 PolarHBondContact O-N 2.96Å; R233-K235 VanDerWaalsContact C-N 3.34Å; R233-K235 PolarHBondContact O-N 3.21Å; K235-S238 PolarHBondContact O-N 3.47Å; K235-T239 PolarHBondContact O-N 2.86Å; K235-T239 PolarHBondContact O-OG1 3.25Å |
| 236 | A | 88.9 | Confident | 90.2 | Very high | 7 Ų | 7 | 75 Ų | 75 | 6% | 0.058 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I125 V224 G232 R233 S238 T239 C240 | I125-A236 HydrophobicContact CD1-CB 4.19Å; V224-A236 HydrophobicContact CG2-CB 3.53Å; G232-A236 WeakPolarHBondContact O-CB 3.41Å; G232-A236 PolarHBondContact O-N 3.46Å; R233-A236 PolarHBondContact O-N 2.85Å; A236-S238 VanDerWaalsContact C-N 3.34Å; A236-S238 PolarHBondContact O-N 3.22Å; A236-T239 PolarHBondContact O-N 2.63Å; A236-T239 PolarHBondContact O-OG1 3.28Å; A236-C240 WeakPolarHBondContact O-CB 3.4Å; A236-C240 PolarHBondContact O-N 3.37Å; A236-C240 PolarHBondContact O-SG 3.34Å |
| 237 | F | 89.2 | Confident | 90.3 | Very high | 97 Ų | 97 | 66.3 Ų | 66.3 | 43% | 0.425 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 177.5 | -81.4 | -66.8 | 0 | 0 | 0 | 112.5 | V224 R233 S234 T239 S241 | V224-F237 HydrophobicContact CG1-CD2 4.21Å; V224-F237 HydrophobicContact CG1-CE2 3.6Å; V224-F237 HydrophobicContact CG1-CZ 3.9Å; R233-F237 WeakPolarHBondContact O-CD2 3.45Å; R233-F237 PolarHBondContact O-N 2.89Å; S234-F237 PolarHBondContact O-N 3.41Å; F237-T239 PolarHBondContact O-N 3.44Å; F237-S241 VanDerWaalsContact O-CB 3.23Å; F237-S241 WeakPolarHBondContact O-CB 3.39Å; F237-S241 PolarHBondContact O-N 3.18Å; F237-S241 PolarHBondContact O-OG 3.4Å |
| 238 | S | 86.9 | Confident | 90.5 | Very high | 60 Ų | 60 | 68.1 Ų | 68.1 | 42% | 0.42 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | -179.7 | -176.8 | 0 | 0 | 0 | 0 | 112.9 | S234 K235 A236 S242 | S234-S238 WeakPolarHBondContact O-CB 3.47Å; S234-S238 PolarHBondContact O-N 2.9Å; K235-S238 PolarHBondContact O-N 3.47Å; A236-S238 VanDerWaalsContact C-N 3.34Å; A236-S238 PolarHBondContact O-N 3.22Å; S238-S242 WeakPolarHBondContact O-CB 3.27Å; S238-S242 PolarHBondContact O-OG 3.32Å |
| 239 | T | 87.1 | Confident | 90.7 | Very high | 53 Ų | 53 | 61.4 Ų | 61.4 | 33% | 0.325 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -84.2 | -29.8 | -178.9 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | R121 K235 A236 F237 S242 | R121-T239 PolarHBondContact NE-O 2.95Å; K235-T239 PolarHBondContact O-N 2.86Å; K235-T239 PolarHBondContact O-OG1 3.25Å; A236-T239 PolarHBondContact O-N 2.63Å; A236-T239 PolarHBondContact O-OG1 3.28Å; F237-T239 PolarHBondContact O-N 3.44Å; T239-S242 PolarHBondContact O-OG 2.96Å |
| 240 | C | 91 | Very high | 90.8 | Very high | 10 Ų | 10 | 58.5 Ų | 58.5 | 7% | 0.068 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -75.7 | -49 | 179.6 | -71.6 | 0 | 0 | 0 | 0 | 111.3 | Y217 A236 S242 H243 L244 | Y217-C240 HydrophobicContact CD1-CB 4.39Å; Y217-C240 HydrophobicContact CE1-CB 3.63Å; Y217-C240 PolarHBondContact OH-O 3.22Å; A236-C240 WeakPolarHBondContact O-CB 3.4Å; A236-C240 PolarHBondContact O-N 3.37Å; A236-C240 PolarHBondContact O-SG 3.34Å; C240-S242 VanDerWaalsContact C-N 3.32Å; C240-S242 PolarHBondContact O-N 3.4Å; C240-H243 PolarHBondContact O-N 3.45Å; C240-L244 WeakPolarHBondContact O-CG 3.28Å; C240-L244 PolarHBondContact O-N 3.12Å |
| 241 | S | 90.8 | Very high | 91 | Very high | 52 Ų | 52 | 53.7 Ų | 53.7 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 179.4 | 57.3 | 0 | 0 | 0 | 0 | 112.2 | F237 H243 L244 I245 | F237-S241 VanDerWaalsContact O-CB 3.23Å; F237-S241 WeakPolarHBondContact O-CB 3.39Å; F237-S241 PolarHBondContact O-N 3.18Å; F237-S241 PolarHBondContact O-OG 3.4Å; S241-H243 VanDerWaalsContact C-N 3.34Å; S241-H243 PolarHBondContact O-N 3.15Å; S241-L244 PolarHBondContact O-N 2.73Å; S241-I245 VanDerWaalsContact O-CG1 3.27Å; S241-I245 WeakPolarHBondContact O-CG1 2.95Å; S241-I245 PolarHBondContact O-N 2.88Å |
| 242 | S | 90.6 | Very high | 91.1 | Very high | 9 Ų | 9 | 48.3 Ų | 48.3 | 6% | 0.063 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 180 | 70.5 | 0 | 0 | 0 | 0 | 112.3 | S238 T239 C240 V246 | S238-S242 WeakPolarHBondContact O-CB 3.27Å; S238-S242 PolarHBondContact O-OG 3.32Å; T239-S242 PolarHBondContact O-OG 2.96Å; C240-S242 VanDerWaalsContact C-N 3.32Å; C240-S242 PolarHBondContact O-N 3.4Å; S242-V246 PolarHBondContact O-N 3.04Å |
| 243 | H | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.4 | -39.4 | 177.4 | 178.9 | -88.3 | 0 | 0 | 0 | 112 | L114 R121 Y217 C240 S241 I245 V246 V247 Y289 | L114-H243 PolarHBondContact O-CE1 2.7Å; L114-H243 VanDerWaalsContact O-CE1 3.31Å; L114-H243 PolarHBondContact O-NE2 2.84Å; L114-H243 VanDerWaalsContact O-NE2 3.14Å; R121-H243 PolarHBondContact NH1-CD2 2.93Å; Y217-H243 AromaticContact CE2-ND1 3.74Å; Y217-H243 AromaticContact CZ-ND1 3.69Å; Y217-H243 VanDerWaalsContact OH-CB 3.23Å; Y217-H243 WeakPolarHBondContact OH-CB 3.37Å; Y217-H243 VanDerWaalsContact OH-CG 3.29Å; Y217-H243 PolarHBondContact OH-ND1 3.33Å; C240-H243 PolarHBondContact O-N 3.45Å; S241-H243 VanDerWaalsContact C-N 3.34Å; S241-H243 PolarHBondContact O-N 3.15Å; H243-I245 VanDerWaalsContact C-N 3.29Å; H243-I245 PolarHBondContact O-N 2.73Å; H243-V246 WeakPolarHBondContact O-CB 3.44Å; H243-V246 PolarHBondContact O-N 2.93Å; H243-V246 VanDerWaalsContact O-N 3.16Å; H243-V247 WeakPolarHBondContact O-CG2 3.41Å; H243-V247 PolarHBondContact O-N 3.01Å; H243-Y289 HydrophobicContact CB-CE1 4.45Å; H243-Y289 PolarHBondContact CD2-OH 3.15Å |
| 244 | L | 94.5 | Very high | 91.4 | Very high | 63 Ų | 63 | 43.4 Ų | 43.4 | 33% | 0.33 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.5 | -36 | 174.8 | -73.8 | 174.1 | 0 | 0 | 0 | 112.5 | Y217 C240 S241 V246 V247 C248 | Y217-L244 HydrophobicContact CD1-CD1 3.61Å; Y217-L244 HydrophobicContact CD1-CD2 3.73Å; Y217-L244 HydrophobicContact CD1-CG 3.73Å; Y217-L244 HydrophobicContact CD2-CD2 4.2Å; Y217-L244 HydrophobicContact CE1-CD1 3.61Å; Y217-L244 HydrophobicContact CE1-CD2 3.72Å; Y217-L244 HydrophobicContact CE1-CG 3.37Å; Y217-L244 HydrophobicContact CE2-CD2 4.22Å; Y217-L244 HydrophobicContact CG-CD2 3.95Å; Y217-L244 HydrophobicContact CG-CG 4.44Å; C240-L244 WeakPolarHBondContact O-CG 3.28Å; C240-L244 PolarHBondContact O-N 3.12Å; S241-L244 PolarHBondContact O-N 2.73Å; L244-V246 VanDerWaalsContact C-N 3.34Å; L244-V246 PolarHBondContact O-N 3.08Å; L244-V247 PolarHBondContact O-N 3.24Å; L244-C248 WeakPolarHBondContact O-CB 3.44Å; L244-C248 PolarHBondContact O-N 2.81Å; L244-C248 PolarHBondContact O-SG 3.43Å |
| 245 | I | 93 | Very high | 91.2 | Very high | 84 Ų | 84 | 40.9 Ų | 40.9 | 43% | 0.431 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.7 | -46.9 | 174.2 | -70.9 | 163 | 0 | 0 | 0 | 110.5 | S241 H243 C248 L249 | S241-I245 VanDerWaalsContact O-CG1 3.27Å; S241-I245 WeakPolarHBondContact O-CG1 2.95Å; S241-I245 PolarHBondContact O-N 2.88Å; H243-I245 VanDerWaalsContact C-N 3.29Å; H243-I245 PolarHBondContact O-N 2.73Å; I245-C248 PolarHBondContact O-N 3.16Å; I245-L249 HydrophobicContact CG2-CD1 3.99Å; I245-L249 WeakPolarHBondContact O-CB 3.43Å; I245-L249 VanDerWaalsContact O-CG 3.29Å; I245-L249 WeakPolarHBondContact O-CG 3.46Å; I245-L249 PolarHBondContact O-N 3.18Å |
| 246 | V | 93.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.3 | -49.3 | 176.9 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | L114 S242 H243 L244 C248 L249 L250 V281 N285 I288 Y289 | L114-V246 HydrophobicContact CD1-CG1 4.03Å; L114-V246 HydrophobicContact CD2-CG1 4.09Å; S242-V246 PolarHBondContact O-N 3.04Å; H243-V246 WeakPolarHBondContact O-CB 3.44Å; H243-V246 PolarHBondContact O-N 2.93Å; H243-V246 VanDerWaalsContact O-N 3.16Å; L244-V246 VanDerWaalsContact C-N 3.34Å; L244-V246 PolarHBondContact O-N 3.08Å; V246-C248 PolarHBondContact O-N 3.46Å; V246-L249 PolarHBondContact O-N 3.07Å; V246-L250 WeakPolarHBondContact O-CB 3.06Å; V246-L250 PolarHBondContact O-N 3.17Å; V246-V281 HydrophobicContact CG1-CG1 3.93Å; V246-N285 WeakPolarHBondContact CG1-OD1 3.47Å; V246-N285 WeakPolarHBondContact CG2-OD1 3.39Å; V246-I288 HydrophobicContact CG2-CD1 3.53Å; V246-I288 HydrophobicContact CG2-CG2 4.21Å; V246-Y289 HydrophobicContact CG2-CE2 4.35Å |
| 247 | V | 94.6 | Very high | 90.9 | Very high | 13 Ų | 13 | 37.6 Ų | 37.6 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.9 | -48.5 | 178.1 | 168.4 | 0 | 0 | 0 | 0 | 111.3 | I213 H243 L244 L249 L250 F251 | I213-V247 HydrophobicContact CD1-CG1 4.03Å; I213-V247 HydrophobicContact CD1-CG2 4.02Å; I213-V247 HydrophobicContact CG2-CG1 4.27Å; H243-V247 WeakPolarHBondContact O-CG2 3.41Å; H243-V247 PolarHBondContact O-N 3.01Å; L244-V247 PolarHBondContact O-N 3.24Å; V247-L249 VanDerWaalsContact C-N 3.33Å; V247-L249 PolarHBondContact O-N 2.89Å; V247-L250 PolarHBondContact O-N 2.77Å; V247-F251 HydrophobicContact CB-CD2 4.45Å; V247-F251 HydrophobicContact CG1-CD2 3.69Å; V247-F251 HydrophobicContact CG1-CE2 4.09Å; V247-F251 WeakPolarHBondContact O-CD2 3.45Å; V247-F251 PolarHBondContact O-N 3.17Å |
| 248 | C | 94.4 | Very high | 90.7 | Very high | 87 Ų | 87 | 35 Ų | 35 | 59% | 0.588 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -62.9 | -40.2 | 180 | -72.2 | 0 | 0 | 0 | 0 | 112.1 | L244 I245 V246 G252 | L244-C248 WeakPolarHBondContact O-CB 3.44Å; L244-C248 PolarHBondContact O-N 2.81Å; L244-C248 PolarHBondContact O-SG 3.43Å; I245-C248 PolarHBondContact O-N 3.16Å; V246-C248 PolarHBondContact O-N 3.46Å; C248-G252 VanDerWaalsContact O-CA 3.26Å; C248-G252 WeakPolarHBondContact O-CA 3.32Å; C248-G252 PolarHBondContact O-N 3.03Å |
| 249 | L | 94 | Very high | 90.3 | Very high | 51 Ų | 51 | 36 Ų | 36 | 27% | 0.267 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.2 | -45.1 | 176.7 | -72.3 | 172.6 | 0 | 0 | 0 | 111.4 | I245 V246 V247 S253 F276 V281 L284 | I245-L249 HydrophobicContact CG2-CD1 3.99Å; I245-L249 WeakPolarHBondContact O-CB 3.43Å; I245-L249 VanDerWaalsContact O-CG 3.29Å; I245-L249 WeakPolarHBondContact O-CG 3.46Å; I245-L249 PolarHBondContact O-N 3.18Å; V246-L249 PolarHBondContact O-N 3.07Å; V247-L249 VanDerWaalsContact C-N 3.33Å; V247-L249 PolarHBondContact O-N 2.89Å; L249-S253 VanDerWaalsContact O-CB 3.24Å; L249-S253 WeakPolarHBondContact O-CB 3.34Å; L249-S253 PolarHBondContact O-N 2.92Å; L249-S253 PolarHBondContact O-OG 3.25Å; L249-F276 HydrophobicContact CD2-CD1 4.25Å; L249-V281 HydrophobicContact CB-CG2 3.66Å; L249-L284 HydrophobicContact CD1-CD1 3.81Å |
| 250 | L | 94.4 | Very high | 89.8 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.2 | -63.9 | -179.1 | -173.5 | 75.6 | 0 | 0 | 0 | 111.5 | E110 T111 L114 V246 V247 G252 S253 G254 V281 | E110-L250 HydrophobicContact CG-CD2 3.94Å; T111-L250 HydrophobicContact CG2-CD2 3.85Å; L114-L250 HydrophobicContact CD1-CD2 3.51Å; V246-L250 WeakPolarHBondContact O-CB 3.06Å; V246-L250 PolarHBondContact O-N 3.17Å; V247-L250 PolarHBondContact O-N 2.77Å; L250-G252 PolarHBondContact O-N 3.45Å; L250-S253 PolarHBondContact O-N 3.11Å; L250-S253 PolarHBondContact O-OG 2.89Å; L250-G254 PolarHBondContact O-N 2.95Å; L250-V281 HydrophobicContact CB-CG2 4.35Å; L250-V281 HydrophobicContact CD1-CG1 4.29Å |
| 251 | F | 93 | Very high | 88.7 | Confident | 14 Ų | 14 | 37.9 Ų | 37.9 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.2 | -37.1 | -175.8 | -73.2 | -84.1 | 0 | 0 | 0 | 112.4 | T111 P209 I210 I213 V247 A255 | T111-F251 HydrophobicContact CG2-CE1 3.75Å; T111-F251 HydrophobicContact CG2-CE2 4.38Å; T111-F251 HydrophobicContact CG2-CZ 3.65Å; P209-F251 HydrophobicContact CB-CE1 3.99Å; P209-F251 HydrophobicContact CB-CZ 3.57Å; P209-F251 HydrophobicContact CG-CZ 4.42Å; I210-F251 HydrophobicContact CD1-CB 4.04Å; I210-F251 HydrophobicContact CD1-CD1 3.68Å; I210-F251 HydrophobicContact CD1-CE1 4.36Å; I210-F251 HydrophobicContact CD1-CG 3.95Å; I210-F251 HydrophobicContact CG1-CD1 3.59Å; I210-F251 HydrophobicContact CG1-CD2 4.42Å; I210-F251 HydrophobicContact CG1-CE1 3.81Å; I210-F251 HydrophobicContact CG1-CG 3.92Å; I210-F251 HydrophobicContact CG1-CZ 4.3Å; I213-F251 HydrophobicContact CD1-CE2 3.85Å; I213-F251 HydrophobicContact CD1-CZ 4.27Å; V247-F251 HydrophobicContact CB-CD2 4.45Å; V247-F251 HydrophobicContact CG1-CD2 3.69Å; V247-F251 HydrophobicContact CG1-CE2 4.09Å; V247-F251 WeakPolarHBondContact O-CD2 3.45Å; V247-F251 PolarHBondContact O-N 3.17Å; F251-A255 WeakPolarHBondContact O-CB 3.41Å; F251-A255 PolarHBondContact O-N 2.83Å |
| 252 | G | 91.1 | Very high | 87.5 | Confident | 42 Ų | 42 | 41.6 Ų | 41.6 | 43% | 0.433 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.4 | -45.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | C248 L250 F256 | C248-G252 VanDerWaalsContact O-CA 3.26Å; C248-G252 WeakPolarHBondContact O-CA 3.32Å; C248-G252 PolarHBondContact O-N 3.03Å; L250-G252 PolarHBondContact O-N 3.45Å; G252-F256 WeakPolarHBondContact O-CB 3.41Å; G252-F256 PolarHBondContact O-N 3.47Å; G252-F256 VanDerWaalsContact O-N 3.12Å |
| 253 | S | 91.9 | Very high | 86.3 | Confident | 12 Ų | 12 | 46.5 Ų | 46.5 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.3 | -34.3 | 178.1 | 64.9 | 0 | 0 | 0 | 0 | 113 | L249 L250 M257 S273 Y277 | L249-S253 VanDerWaalsContact O-CB 3.24Å; L249-S253 WeakPolarHBondContact O-CB 3.34Å; L249-S253 PolarHBondContact O-N 2.92Å; L249-S253 PolarHBondContact O-OG 3.25Å; L250-S253 PolarHBondContact O-N 3.11Å; L250-S253 PolarHBondContact O-OG 2.89Å; S253-M257 PolarHBondContact O-N 3.03Å; S253-M257 VanDerWaalsContact O-N 3.17Å; S253-S273 WeakPolarHBondContact CA-OG 3.36Å; S253-S273 PolarHBondContact O-OG 3.12Å; S253-Y277 WeakPolarHBondContact OG-CB 3.41Å; S253-Y277 WeakPolarHBondContact OG-CD1 3.28Å; S253-Y277 PolarHBondContact OG-N 2.6Å |
| 254 | G | 89.7 | Confident | 84.6 | Confident | 12 Ų | 12 | 52 Ų | 52 | 12% | 0.124 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.1 | -49.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L250 F256 M257 Y258 | L250-G254 PolarHBondContact O-N 2.95Å; G254-F256 VanDerWaalsContact C-N 3.27Å; G254-F256 PolarHBondContact O-N 2.94Å; G254-M257 WeakPolarHBondContact O-CB 3.21Å; G254-M257 PolarHBondContact O-N 3.16Å; G254-Y258 WeakPolarHBondContact O-CD2 3.38Å; G254-Y258 PolarHBondContact O-N 2.97Å |
| 255 | A | 86.2 | Confident | 82.7 | Confident | 30 Ų | 30 | 50.8 Ų | 50.8 | 25% | 0.248 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.4 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | F251 M257 L259 | F251-A255 WeakPolarHBondContact O-CB 3.41Å; F251-A255 PolarHBondContact O-N 2.83Å; A255-M257 VanDerWaalsContact C-N 3.32Å; A255-M257 PolarHBondContact O-N 3.31Å; A255-L259 HydrophobicContact CB-CD1 4.12Å; A255-L259 WeakPolarHBondContact O-CA 3.19Å; A255-L259 VanDerWaalsContact O-CB 3.28Å; A255-L259 WeakPolarHBondContact O-CB 3.29Å; A255-L259 PolarHBondContact O-N 3.21Å |
| 256 | F | 84.7 | Confident | 81.3 | Confident | 95 Ų | 95 | 50.6 Ų | 50.6 | 42% | 0.417 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.1 | -33.7 | 176.2 | -174.1 | -92.4 | 0 | 0 | 0 | 113.2 | G252 G254 K260 L265 S273 | G252-F256 WeakPolarHBondContact O-CB 3.41Å; G252-F256 PolarHBondContact O-N 3.47Å; G252-F256 VanDerWaalsContact O-N 3.12Å; G254-F256 VanDerWaalsContact C-N 3.27Å; G254-F256 PolarHBondContact O-N 2.94Å; F256-K260 WeakPolarHBondContact O-CB 3.37Å; F256-K260 WeakPolarHBondContact O-CD 3.34Å; F256-K260 WeakPolarHBondContact O-CG 3.41Å; F256-L265 HydrophobicContact CE1-CD2 3.77Å; F256-L265 HydrophobicContact CE2-CD2 4.14Å; F256-L265 HydrophobicContact CZ-CD2 3.23Å; F256-S273 WeakPolarHBondContact CD1-OG 3.45Å |
| 257 | M | 84.8 | Confident | 79.8 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.1 | -47.4 | 176.8 | 176.9 | 56.8 | 176 | 0 | 0 | 111.8 | S253 G254 A255 Y277 | S253-M257 PolarHBondContact O-N 3.03Å; S253-M257 VanDerWaalsContact O-N 3.17Å; G254-M257 WeakPolarHBondContact O-CB 3.21Å; G254-M257 PolarHBondContact O-N 3.16Å; A255-M257 VanDerWaalsContact C-N 3.32Å; A255-M257 PolarHBondContact O-N 3.31Å; M257-Y277 HydrophobicContact CB-CE1 4.13Å; M257-Y277 HydrophobicContact CG-CE1 4.46Å |
| 258 | Y | 83.9 | Confident | 78.5 | Confident | 43 Ų | 43 | 55.5 Ų | 55.5 | 17% | 0.169 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -100.5 | -27.6 | -167.7 | -67.4 | -75.9 | 0 | 0 | 0 | 115.6 | F103 D179 L181 V202 G254 | F103-Y258 WeakPolarHBondContact CE1-OH 3.14Å; F103-Y258 WeakPolarHBondContact CZ-OH 3.45Å; D179-Y258 PolarHBondContact OD1-OH 3.19Å; L181-Y258 HydrophobicContact CD1-CD1 3.88Å; L181-Y258 HydrophobicContact CD1-CE1 4.37Å; L181-Y258 HydrophobicContact CG-CD1 4.12Å; L181-Y258 HydrophobicContact CG-CE1 4.25Å; V202-Y258 HydrophobicContact CG1-CG 4.46Å; G254-Y258 WeakPolarHBondContact O-CD2 3.38Å; G254-Y258 PolarHBondContact O-N 2.97Å |
| 259 | L | 79.2 | Confident | 77.1 | Confident | 80 Ų | 80 | 55.9 Ų | 55.9 | 42% | 0.419 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -99.7 | 1.1 | -176.3 | -55 | -179.2 | 0 | 0 | 0 | 113.1 | F199 I206 A255 | F199-L259 HydrophobicContact CD2-CD2 4.44Å; F199-L259 HydrophobicContact CE2-CD2 4.23Å; I206-L259 HydrophobicContact CD1-CD1 3.93Å; I206-L259 HydrophobicContact CD1-CG 4.34Å; A255-L259 HydrophobicContact CB-CD1 4.12Å; A255-L259 WeakPolarHBondContact O-CA 3.19Å; A255-L259 VanDerWaalsContact O-CB 3.28Å; A255-L259 WeakPolarHBondContact O-CB 3.29Å; A255-L259 PolarHBondContact O-N 3.21Å |
| 260 | K | 76.5 | Confident | 76 | Confident | 40 Ų | 40 | 53.4 Ų | 53.4 | 17% | 0.174 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -70.7 | 141 | 176.7 | 67.8 | 170.7 | -176.7 | 152.8 | 0 | 111 | F256 L265 P266 | F256-K260 WeakPolarHBondContact O-CB 3.37Å; F256-K260 WeakPolarHBondContact O-CD 3.34Å; F256-K260 WeakPolarHBondContact O-CG 3.41Å; K260-L265 HydrophobicContact CD-CB 4.26Å; K260-L265 PolarHBondContact NZ-O 3.36Å; K260-P266 PolarHBondContact NZ-O 2.84Å; K260-P266 VanDerWaalsContact NZ-O 3.13Å |
| 261 | P | 69.1 | Low | 75.7 | Confident | 62 Ų | 62 | 54.2 Ų | 54.2 | 40% | 0.403 | 32% | 0.315 | S | S | . | . | trans | -65.3 | 139.2 | 169.4 | -20.8 | 33.7 | 0 | 0 | 0 | 110.8 | S263 I264 | P261-S263 PolarHBondContact O-N 3.01Å; P261-I264 HydrophobicContact CB-CD1 4.02Å; P261-I264 HydrophobicContact CB-CG1 3.99Å; P261-I264 HydrophobicContact CG-CD1 3.53Å; P261-I264 HydrophobicContact CG-CG1 4.08Å; P261-I264 PolarHBondContact O-N 3.46Å; P261-I264 VanDerWaalsContact O-N 3.1Å | ||
| 262 | P | 64.7 | Low | 75.4 | Confident | 130 Ų | 130 | 57.4 Ų | 57.4 | 84% | 0.844 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -28.8 | 177.7 | -25.8 | 33.3 | 0 | 0 | 0 | 113.5 | ||
| 263 | S | 64.7 | Low | 75.3 | Confident | 112 Ų | 112 | 56 Ų | 56 | 78% | 0.783 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -19 | -178.1 | 59.8 | 0 | 0 | 0 | 0 | 115 | P261 | P261-S263 PolarHBondContact O-N 3.01Š|
| 264 | I | 58 | Low | 75.3 | Confident | 115 Ų | 115 | 55.5 Ų | 55.5 | 59% | 0.59 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -29.7 | -168 | -66 | -174.8 | 0 | 0 | 0 | 112.2 | P261 | P261-I264 HydrophobicContact CB-CD1 4.02Å; P261-I264 HydrophobicContact CB-CG1 3.99Å; P261-I264 HydrophobicContact CG-CD1 3.53Å; P261-I264 HydrophobicContact CG-CG1 4.08Å; P261-I264 PolarHBondContact O-N 3.46Å; P261-I264 VanDerWaalsContact O-N 3.1Å |
| 265 | L | 55.9 | Low | 75.6 | Confident | 38 Ų | 38 | 56 Ų | 56 | 20% | 0.199 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -158.6 | 132.8 | -171.4 | -136.6 | 65.9 | 0 | 0 | 0 | 113.5 | F256 K260 Q269 | F256-L265 HydrophobicContact CE1-CD2 3.77Å; F256-L265 HydrophobicContact CE2-CD2 4.14Å; F256-L265 HydrophobicContact CZ-CD2 3.23Å; K260-L265 HydrophobicContact CD-CB 4.26Å; K260-L265 PolarHBondContact NZ-O 3.36Å; L265-Q269 VanDerWaalsContact CD1-OE1 3.25Å; L265-Q269 HydrophobicContact CD2-CB 3.63Å; L265-Q269 HydrophobicContact CD2-CG 4.19Å; L265-Q269 HydrophobicContact CG-CB 3.87Å; L265-Q269 HydrophobicContact CG-CG 4.01Å |
| 266 | P | 62.5 | Low | 75.9 | Confident | 80 Ų | 80 | 58.6 Ų | 58.6 | 52% | 0.519 | 32% | 0.322 | S | S | . | . | trans | -56.9 | 152.9 | 175.5 | -23.7 | 33.1 | 0 | 0 | 0 | 113.1 | K260 D268 Q269 | K260-P266 PolarHBondContact NZ-O 2.84Å; K260-P266 VanDerWaalsContact NZ-O 3.13Å; P266-D268 PolarHBondContact O-N 3.27Å; P266-D268 VanDerWaalsContact O-N 3.11Å; P266-Q269 PolarHBondContact O-N 3.2Å; P266-Q269 VanDerWaalsContact O-N 3.09Å | ||
| 267 | L | 62 | Low | 76.3 | Confident | 31 Ų | 31 | 54.3 Ų | 54.3 | 16% | 0.162 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -51.8 | -28.8 | 170.7 | -92.4 | 147.7 | 0 | 0 | 0 | 113.5 | P182 E185 Q269 G270 K271 | P182-L267 HydrophobicContact CG-CD2 4.15Å; E185-L267 WeakPolarHBondContact OE1-CD1 3.41Å; E185-L267 WeakPolarHBondContact OE2-CD1 3.33Å; L267-Q269 PolarHBondContact O-N 3.11Å; L267-G270 WeakPolarHBondContact O-CA 3.36Å; L267-G270 PolarHBondContact O-N 3.4Å; L267-K271 PolarHBondContact O-N 3.27Å |
| 268 | D | 67.9 | Low | 76.9 | Confident | 86 Ų | 86 | 54.2 Ų | 54.2 | 46% | 0.46 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59 | -32.5 | 177.8 | -65 | -33.1 | 0 | 0 | 0 | 113.7 | N174 P266 K271 | N174-D268 PolarHBondContact ND2-OD1 3.4Å; P266-D268 PolarHBondContact O-N 3.27Å; P266-D268 VanDerWaalsContact O-N 3.11Å; D268-K271 WeakPolarHBondContact OD1-CE 3.31Å; D268-K271 IonicContact OD1-NZ 3.52Å; D268-K271 PolarHBondContact OD1-NZ 3.45Å |
| 269 | Q | 65.2 | Low | 77.5 | Confident | 95 Ų | 95 | 52.2 Ų | 52.2 | 44% | 0.444 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -79.4 | -27.3 | 173.7 | -62.1 | -165.6 | 26.6 | 0 | 0 | 112.2 | L265 P266 L267 V272 S273 | L265-Q269 VanDerWaalsContact CD1-OE1 3.25Å; L265-Q269 HydrophobicContact CD2-CB 3.63Å; L265-Q269 HydrophobicContact CD2-CG 4.19Å; L265-Q269 HydrophobicContact CG-CB 3.87Å; L265-Q269 HydrophobicContact CG-CG 4.01Å; P266-Q269 PolarHBondContact O-N 3.2Å; P266-Q269 VanDerWaalsContact O-N 3.09Å; L267-Q269 PolarHBondContact O-N 3.11Å; Q269-V272 PolarHBondContact O-N 2.94Å; Q269-S273 PolarHBondContact O-N 3.4Å |
| 270 | G | 71.6 | Confident | 78.3 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L267 V272 S273 S274 | L267-G270 WeakPolarHBondContact O-CA 3.36Å; L267-G270 PolarHBondContact O-N 3.4Å; G270-V272 VanDerWaalsContact C-N 3.25Å; G270-V272 PolarHBondContact O-N 3.34Å; G270-S273 WeakPolarHBondContact O-CA 3.38Å; G270-S273 WeakPolarHBondContact O-CB 3.2Å; G270-S273 PolarHBondContact O-N 3.1Å; G270-S274 PolarHBondContact O-N 3.47Å; G270-S274 PolarHBondContact O-OG 2.88Å; G270-S274 VanDerWaalsContact O-OG 3.14Å |
| 271 | K | 86.8 | Confident | 79.2 | Confident | 20 Ų | 20 | 47.9 Ų | 47.9 | 9% | 0.087 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -50.9 | -43.3 | 174.2 | -78.5 | -178.2 | -77.7 | -169.4 | 0 | 112.7 | L16 N174 H175 F176 L267 D268 S274 L275 | L16-K271 HydrophobicContact CD2-CB 4.42Å; N174-K271 PolarHBondContact OD1-NZ 2.87Å; H175-K271 VanDerWaalsContact CD2-CG 3.44Å; H175-K271 WeakPolarHBondContact CD2-CG 3.32Å; F176-K271 WeakPolarHBondContact CE1-O 3.33Å; L267-K271 PolarHBondContact O-N 3.27Å; D268-K271 WeakPolarHBondContact OD1-CE 3.31Å; D268-K271 IonicContact OD1-NZ 3.52Å; D268-K271 PolarHBondContact OD1-NZ 3.45Å; K271-S274 PolarHBondContact O-N 2.92Å; K271-L275 PolarHBondContact O-N 3.16Å |
| 272 | V | 87.3 | Confident | 80.5 | Confident | 82 Ų | 82 | 45 Ų | 45 | 50% | 0.497 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -70 | -41 | -179.8 | 179.7 | 0 | 0 | 0 | 0 | 111 | Q269 G270 S274 L275 F276 | Q269-V272 PolarHBondContact O-N 2.94Å; G270-V272 VanDerWaalsContact C-N 3.25Å; G270-V272 PolarHBondContact O-N 3.34Å; V272-S274 VanDerWaalsContact C-N 3.28Å; V272-S274 PolarHBondContact O-N 2.93Å; V272-L275 WeakPolarHBondContact O-CB 3.36Å; V272-L275 PolarHBondContact O-N 3.35Å; V272-F276 WeakPolarHBondContact O-CD2 3.2Å |
| 273 | S | 88.6 | Confident | 82 | Confident | 13 Ų | 13 | 39.8 Ų | 39.8 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.2 | -41.8 | 174.3 | -161.6 | 0 | 0 | 0 | 0 | 111.5 | S253 F256 Q269 G270 L275 F276 | S253-S273 WeakPolarHBondContact CA-OG 3.36Å; S253-S273 PolarHBondContact O-OG 3.12Å; F256-S273 WeakPolarHBondContact CD1-OG 3.45Å; Q269-S273 PolarHBondContact O-N 3.4Å; G270-S273 WeakPolarHBondContact O-CA 3.38Å; G270-S273 WeakPolarHBondContact O-CB 3.2Å; G270-S273 PolarHBondContact O-N 3.1Å; S273-L275 PolarHBondContact O-N 3.47Å; S273-F276 WeakPolarHBondContact O-CB 3.32Å; S273-F276 PolarHBondContact O-N 2.79Å |
| 274 | S | 92.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.5 | -25.8 | 179.8 | -57 | 0 | 0 | 0 | 0 | 114.1 | G270 K271 V272 F276 Y277 T278 | G270-S274 PolarHBondContact O-N 3.47Å; G270-S274 PolarHBondContact O-OG 2.88Å; G270-S274 VanDerWaalsContact O-OG 3.14Å; K271-S274 PolarHBondContact O-N 2.92Å; V272-S274 VanDerWaalsContact C-N 3.28Å; V272-S274 PolarHBondContact O-N 2.93Å; S274-F276 PolarHBondContact O-N 2.9Å; S274-Y277 WeakPolarHBondContact CB-OH 3.45Å; S274-Y277 PolarHBondContact OG-OH 2.95Å; S274-T278 WeakPolarHBondContact O-CB 2.97Å; S274-T278 VanDerWaalsContact O-CG2 3.3Å; S274-T278 WeakPolarHBondContact O-CG2 3.37Å; S274-T278 PolarHBondContact O-N 3.2Å; S274-T278 VanDerWaalsContact O-N 3.1Å; S274-T278 PolarHBondContact O-OG1 2.85Å |
| 275 | L | 94.8 | Very high | 85.1 | Confident | 22 Ų | 22 | 31 Ų | 31 | 12% | 0.115 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.5 | -31.7 | 173.4 | -62.8 | 173 | 0 | 0 | 0 | 112.4 | L16 F30 M80 F176 K271 V272 S273 I279 V280 | L16-L275 HydrophobicContact CD1-CD1 4.16Å; L16-L275 HydrophobicContact CD1-CD2 3.74Å; L16-L275 HydrophobicContact CD2-CD1 4.29Å; L16-L275 HydrophobicContact CD2-CD2 3.96Å; L16-L275 HydrophobicContact CD2-CG 4.3Å; L16-L275 HydrophobicContact CG-CD2 4.43Å; F30-L275 HydrophobicContact CE1-CD1 4.41Å; F30-L275 HydrophobicContact CE1-CD2 3.83Å; F30-L275 HydrophobicContact CZ-CD1 3.91Å; F30-L275 HydrophobicContact CZ-CD2 3.84Å; F30-L275 HydrophobicContact CZ-CG 4.49Å; M80-L275 HydrophobicContact SD-CD2 4.13Å; F176-L275 HydrophobicContact CE1-CD2 4.08Å; F176-L275 HydrophobicContact CZ-CD2 4.14Å; K271-L275 PolarHBondContact O-N 3.16Å; V272-L275 WeakPolarHBondContact O-CB 3.36Å; V272-L275 PolarHBondContact O-N 3.35Å; S273-L275 PolarHBondContact O-N 3.47Å; L275-I279 HydrophobicContact CD2-CD1 3.55Å; L275-I279 WeakPolarHBondContact O-CA 3.41Å; L275-I279 WeakPolarHBondContact O-CB 3.41Å; L275-I279 PolarHBondContact O-N 3.35Å; L275-V280 PolarHBondContact O-N 2.94Å |
| 276 | F | 94 | Very high | 86.6 | Confident | 86 Ų | 86 | 29.5 Ų | 29.5 | 38% | 0.377 | 16% | 0.158 | S | C | . | . | I | π-helix | trans | -69.9 | -54.1 | -175.6 | -73.8 | -89.7 | 0 | 0 | 0 | 111.7 | L249 V272 S273 S274 V280 V281 | L249-F276 HydrophobicContact CD2-CD1 4.25Å; V272-F276 WeakPolarHBondContact O-CD2 3.2Å; S273-F276 WeakPolarHBondContact O-CB 3.32Å; S273-F276 PolarHBondContact O-N 2.79Å; S274-F276 PolarHBondContact O-N 2.9Å; F276-V280 HydrophobicContact CD1-CB 4.31Å; F276-V280 HydrophobicContact CD1-CG1 4.37Å; F276-V280 HydrophobicContact CD1-CG2 4.26Å; F276-V280 PolarHBondContact O-N 3.12Å; F276-V281 WeakPolarHBondContact O-CG2 3.3Å; F276-V281 PolarHBondContact O-N 3.22Å |
| 277 | Y | 93.4 | Very high | 87.8 | Confident | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -74.4 | -26.9 | 179.9 | 64.8 | -103.3 | 0 | 0 | 0 | 113.5 | F103 V107 M177 S253 M257 S274 | F103-Y277 HydrophobicContact CE2-CD2 4.31Å; F103-Y277 AromaticContact CE2-CE2 3.65Å; F103-Y277 HydrophobicContact CE2-CE2 3.65Å; F103-Y277 AromaticContact CZ-CE2 3.69Å; F103-Y277 HydrophobicContact CZ-CE2 3.69Å; V107-Y277 HydrophobicContact CG2-CD2 4.33Å; M177-Y277 HydrophobicContact CE-CE2 4.37Å; S253-Y277 WeakPolarHBondContact OG-CB 3.41Å; S253-Y277 WeakPolarHBondContact OG-CD1 3.28Å; S253-Y277 PolarHBondContact OG-N 2.6Å; M257-Y277 HydrophobicContact CB-CE1 4.13Å; M257-Y277 HydrophobicContact CG-CE1 4.46Å; S274-Y277 WeakPolarHBondContact CB-OH 3.45Å; S274-Y277 PolarHBondContact OG-OH 2.95Å |
| 278 | T | 95.9 | Very high | 89 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -90.7 | -25.4 | -178.4 | 60.5 | 0 | 0 | 0 | 0 | 115.2 | F72 F103 M177 S274 | F72-T278 HydrophobicContact CE2-CG2 4.12Å; F72-T278 HydrophobicContact CZ-CG2 3.82Å; F103-T278 HydrophobicContact CE2-CG2 4.27Å; M177-T278 HydrophobicContact CE-CG2 3.83Å; M177-T278 HydrophobicContact SD-CG2 3.91Å; S274-T278 WeakPolarHBondContact O-CB 2.97Å; S274-T278 VanDerWaalsContact O-CG2 3.3Å; S274-T278 WeakPolarHBondContact O-CG2 3.37Å; S274-T278 PolarHBondContact O-N 3.2Å; S274-T278 VanDerWaalsContact O-N 3.1Å; S274-T278 PolarHBondContact O-OG1 2.85Å |
| 279 | I | 96.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -130.8 | -52.8 | -169.5 | -63.1 | 160.9 | 0 | 0 | 0 | 111.5 | F30 F33 I77 M80 L275 M283 | F30-I279 HydrophobicContact CD1-CD1 4.14Å; F30-I279 HydrophobicContact CD1-CG2 4.29Å; F30-I279 HydrophobicContact CE1-CD1 4.1Å; F33-I279 HydrophobicContact CB-CG2 4.02Å; F33-I279 HydrophobicContact CD2-CG2 3.95Å; F33-I279 HydrophobicContact CG-CG2 4.47Å; I77-I279 HydrophobicContact CD1-CB 4.36Å; I77-I279 HydrophobicContact CD1-CG1 3.82Å; I77-I279 HydrophobicContact CD1-CG2 3.98Å; I77-I279 HydrophobicContact CG1-CD1 4.28Å; I77-I279 HydrophobicContact CG1-CG1 3.78Å; M80-I279 HydrophobicContact CE-CD1 3.51Å; M80-I279 HydrophobicContact SD-CD1 3.62Å; L275-I279 HydrophobicContact CD2-CD1 3.55Å; L275-I279 WeakPolarHBondContact O-CA 3.41Å; L275-I279 WeakPolarHBondContact O-CB 3.41Å; L275-I279 PolarHBondContact O-N 3.35Å; I279-M283 VanDerWaalsContact O-CB 3.24Å; I279-M283 WeakPolarHBondContact O-CB 3.13Å; I279-M283 PolarHBondContact O-N 3.36Å; I279-M283 VanDerWaalsContact O-N 3.1Å |
| 280 | V | 96 | Very high | 90.1 | Very high | 28 Ų | 28 | 20.9 Ų | 20.9 | 17% | 0.17 | 11% | 0.111 | C | C | . | . | I | π-helix | trans | -67.4 | -44.6 | -173.3 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | L275 F276 M283 L284 | L275-V280 PolarHBondContact O-N 2.94Å; F276-V280 HydrophobicContact CD1-CB 4.31Å; F276-V280 HydrophobicContact CD1-CG1 4.37Å; F276-V280 HydrophobicContact CD1-CG2 4.26Å; F276-V280 PolarHBondContact O-N 3.12Å; V280-M283 PolarHBondContact O-N 3.11Å; V280-L284 HydrophobicContact CG1-CD1 3.67Å; V280-L284 HydrophobicContact CG1-CG 4.08Å; V280-L284 WeakPolarHBondContact O-CB 3.42Å; V280-L284 VanDerWaalsContact O-CG 3.22Å; V280-L284 WeakPolarHBondContact O-CG 3.5Å; V280-L284 PolarHBondContact O-N 3.24Å |
| 281 | V | 96.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.2 | -54.3 | 179.1 | 167.2 | 0 | 0 | 0 | 0 | 111.8 | E110 V246 L249 L250 F276 M283 L284 N285 | E110-V281 WeakPolarHBondContact OE1-CG1 3.24Å; V246-V281 HydrophobicContact CG1-CG1 3.93Å; L249-V281 HydrophobicContact CB-CG2 3.66Å; L250-V281 HydrophobicContact CB-CG2 4.35Å; L250-V281 HydrophobicContact CD1-CG1 4.29Å; F276-V281 WeakPolarHBondContact O-CG2 3.3Å; F276-V281 PolarHBondContact O-N 3.22Å; V281-M283 PolarHBondContact O-N 3.43Å; V281-L284 PolarHBondContact O-N 3.37Å; V281-N285 VanDerWaalsContact O-CG 3.29Å; V281-N285 PolarHBondContact O-N 3.3Å; V281-N285 PolarHBondContact O-OD1 3.17Å |
| 282 | P | 96.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.4 | -34.9 | 175.4 | -30.7 | 37.2 | 0 | 0 | 0 | 114.3 | T37 N41 D69 F72 S73 P286 | T37-P282 HydrophobicContact CG2-CB 3.8Å; N41-P282 PolarHBondContact ND2-O 3.16Å; D69-P282 HydrophobicContact CB-CB 3.99Å; F72-P282 HydrophobicContact CD1-CG 4.45Å; S73-P282 WeakPolarHBondContact OG-CB 3.28Å; P282-P286 WeakPolarHBondContact O-CD 3.34Å |
| 283 | M | 95.5 | Very high | 89.1 | Confident | 21 Ų | 21 | 29.9 Ų | 29.9 | 10% | 0.103 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.9 | -40 | 175.5 | -177 | -155 | 67 | 0 | 0 | 112.3 | F33 V36 T37 I279 V280 V281 | F33-M283 HydrophobicContact CB-SD 3.97Å; F33-M283 HydrophobicContact CD1-SD 3.31Å; F33-M283 WeakPolarHBondContact CD1-SD 3.42Å; F33-M283 HydrophobicContact CD2-SD 4.35Å; F33-M283 HydrophobicContact CE1-SD 3.79Å; F33-M283 HydrophobicContact CG-SD 3.63Å; F33-M283 HydrophobicContact CZ-SD 4.48Å; V36-M283 HydrophobicContact CB-CG 4.05Å; V36-M283 HydrophobicContact CG1-CG 3.7Å; T37-M283 VanDerWaalsContact OG1-CA 3.26Å; T37-M283 WeakPolarHBondContact OG1-CA 3.36Å; T37-M283 WeakPolarHBondContact OG1-CB 3.25Å; I279-M283 VanDerWaalsContact O-CB 3.24Å; I279-M283 WeakPolarHBondContact O-CB 3.13Å; I279-M283 PolarHBondContact O-N 3.36Å; I279-M283 VanDerWaalsContact O-N 3.1Å; V280-M283 PolarHBondContact O-N 3.11Å; V281-M283 PolarHBondContact O-N 3.43Å |
| 284 | L | 93.8 | Very high | 89 | Confident | 43 Ų | 43 | 37.2 Ų | 37.2 | 23% | 0.225 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -76.1 | -29.8 | -179 | -72.7 | 178.9 | 0 | 0 | 0 | 112.5 | L249 V280 V281 L287 I288 | L249-L284 HydrophobicContact CD1-CD1 3.81Å; V280-L284 HydrophobicContact CG1-CD1 3.67Å; V280-L284 HydrophobicContact CG1-CG 4.08Å; V280-L284 WeakPolarHBondContact O-CB 3.42Å; V280-L284 VanDerWaalsContact O-CG 3.22Å; V280-L284 WeakPolarHBondContact O-CG 3.5Å; V280-L284 PolarHBondContact O-N 3.24Å; V281-L284 PolarHBondContact O-N 3.37Å; L284-L287 HydrophobicContact CD2-CD1 4.23Å; L284-L287 WeakPolarHBondContact O-CA 3.34Å; L284-L287 WeakPolarHBondContact O-CB 3.4Å; L284-L287 PolarHBondContact O-N 3.43Å; L284-I288 HydrophobicContact CB-CD1 3.85Å; L284-I288 HydrophobicContact CB-CG1 4.37Å; L284-I288 WeakPolarHBondContact O-CB 3.39Å; L284-I288 VanDerWaalsContact O-CG1 3.3Å; L284-I288 WeakPolarHBondContact O-CG1 3.46Å; L284-I288 PolarHBondContact O-N 3.04Å |
| 285 | N | 93.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -51.6 | -51.3 | -176.5 | -78.6 | -13 | 0 | 0 | 0 | 112.8 | D69 E110 V246 V281 L287 I288 Y289 | D69-N285 PolarHBondContact OD1-ND2 3.18Å; D69-N285 VanDerWaalsContact OD2-CB 3.26Å; D69-N285 WeakPolarHBondContact OD2-CB 3.33Å; D69-N285 PolarHBondContact OD2-ND2 3.28Å; E110-N285 PolarHBondContact OE1-ND2 2.81Å; V246-N285 WeakPolarHBondContact CG1-OD1 3.47Å; V246-N285 WeakPolarHBondContact CG2-OD1 3.39Å; V281-N285 VanDerWaalsContact O-CG 3.29Å; V281-N285 PolarHBondContact O-N 3.3Å; V281-N285 PolarHBondContact O-OD1 3.17Å; N285-L287 PolarHBondContact O-N 3.01Å; N285-I288 PolarHBondContact O-N 2.95Å; N285-Y289 HydrophobicContact CB-CD2 4.17Å; N285-Y289 HydrophobicContact CB-CE2 4.29Å; N285-Y289 WeakPolarHBondContact O-CB 3.34Å; N285-Y289 WeakPolarHBondContact O-CD2 3.43Å; N285-Y289 PolarHBondContact O-N 3.11Å |
| 286 | P | 88.4 | Confident | 88.2 | Confident | 6 Ų | 6 | 40 Ų | 40 | 4% | 0.039 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.5 | -39.3 | 172.9 | -26.3 | 34.4 | 0 | 0 | 0 | 114 | N41 P282 I288 S290 L291 | N41-P286 WeakPolarHBondContact ND2-CG 3.42Å; N41-P286 WeakPolarHBondContact OD1-CG 3.49Å; P282-P286 WeakPolarHBondContact O-CD 3.34Å; P286-I288 VanDerWaalsContact C-N 3.34Å; P286-S290 WeakPolarHBondContact O-CA 3.33Å; P286-S290 WeakPolarHBondContact O-CB 3Å; P286-S290 PolarHBondContact O-N 3.26Å; P286-S290 PolarHBondContact O-OG 2.88Å; P286-L291 PolarHBondContact O-N 3.43Å |
| 287 | L | 87 | Confident | 87.9 | Confident | 68 Ų | 68 | 40.5 Ų | 40.5 | 36% | 0.356 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -68.2 | -38 | -179.5 | -57.3 | 178.2 | 0 | 0 | 0 | 111.4 | L284 N285 L291 | L284-L287 HydrophobicContact CD2-CD1 4.23Å; L284-L287 WeakPolarHBondContact O-CA 3.34Å; L284-L287 WeakPolarHBondContact O-CB 3.4Å; L284-L287 PolarHBondContact O-N 3.43Å; N285-L287 PolarHBondContact O-N 3.01Å; L287-L291 HydrophobicContact CB-CD1 4.43Å; L287-L291 HydrophobicContact CD2-CD1 3.44Å; L287-L291 VanDerWaalsContact CD2-CD1 3.44Å; L287-L291 HydrophobicContact CD2-CG 4.37Å; L287-L291 WeakPolarHBondContact O-CB 3.45Å |
| 288 | I | 87.3 | Confident | 87.6 | Confident | 20 Ų | 20 | 44.2 Ų | 44.2 | 10% | 0.103 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -76.8 | -47 | -177.7 | -68.6 | 178.2 | 0 | 0 | 0 | 110.7 | V246 L284 N285 P286 | V246-I288 HydrophobicContact CG2-CD1 3.53Å; V246-I288 HydrophobicContact CG2-CG2 4.21Å; L284-I288 HydrophobicContact CB-CD1 3.85Å; L284-I288 HydrophobicContact CB-CG1 4.37Å; L284-I288 WeakPolarHBondContact O-CB 3.39Å; L284-I288 VanDerWaalsContact O-CG1 3.3Å; L284-I288 WeakPolarHBondContact O-CG1 3.46Å; L284-I288 PolarHBondContact O-N 3.04Å; N285-I288 PolarHBondContact O-N 2.95Å; P286-I288 VanDerWaalsContact C-N 3.34Å |
| 289 | Y | 82.5 | Confident | 87.3 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -90.5 | -28.6 | -174.5 | -62.1 | -57.6 | 0 | 0 | 0 | 114.4 | L62 L65 M117 H243 V246 N285 N293 | L62-Y289 HydrophobicContact CD1-CD2 3.64Å; L62-Y289 HydrophobicContact CD1-CE2 4.49Å; L62-Y289 HydrophobicContact CD1-CG 3.74Å; L65-Y289 HydrophobicContact CD2-CD2 4.32Å; L65-Y289 HydrophobicContact CD2-CE2 3.84Å; M117-Y289 HydrophobicContact CE-CD1 4.46Å; M117-Y289 HydrophobicContact CE-CE1 4.01Å; M117-Y289 HydrophobicContact CE-CE2 4.38Å; H243-Y289 HydrophobicContact CB-CE1 4.45Å; H243-Y289 PolarHBondContact CD2-OH 3.15Å; V246-Y289 HydrophobicContact CG2-CE2 4.35Å; N285-Y289 HydrophobicContact CB-CD2 4.17Å; N285-Y289 HydrophobicContact CB-CE2 4.29Å; N285-Y289 WeakPolarHBondContact O-CB 3.34Å; N285-Y289 WeakPolarHBondContact O-CD2 3.43Å; N285-Y289 PolarHBondContact O-N 3.11Å; Y289-N293 WeakPolarHBondContact O-CB 3.43Å |
| 290 | S | 75.5 | Confident | 86.9 | Confident | 16 Ų | 16 | 48 Ų | 48 | 11% | 0.112 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -57.5 | -178.6 | -52.9 | 0 | 0 | 0 | 0 | 112.4 | P286 R292 N293 | P286-S290 WeakPolarHBondContact O-CA 3.33Å; P286-S290 WeakPolarHBondContact O-CB 3Å; P286-S290 PolarHBondContact O-N 3.26Å; P286-S290 PolarHBondContact O-OG 2.88Å; S290-R292 PolarHBondContact O-N 3.46Å; S290-R292 VanDerWaalsContact O-N 3.13Å; S290-N293 PolarHBondContact O-N 3.5Å |
| 291 | L | 66.5 | Low | 86.6 | Confident | 107 Ų | 107 | 55.9 Ų | 55.9 | 56% | 0.56 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -16.8 | -171 | -64 | -180 | 0 | 0 | 0 | 113.9 | P286 L287 K297 | P286-L291 PolarHBondContact O-N 3.43Å; L287-L291 HydrophobicContact CB-CD1 4.43Å; L287-L291 HydrophobicContact CD2-CD1 3.44Å; L287-L291 VanDerWaalsContact CD2-CD1 3.44Å; L287-L291 HydrophobicContact CD2-CG 4.37Å; L287-L291 WeakPolarHBondContact O-CB 3.45Å; L291-K297 WeakPolarHBondContact O-CE 3.3Å; L291-K297 PolarHBondContact O-NZ 2.93Å |
| 292 | R | 76.3 | Confident | 86.2 | Confident | 151 Ų | 151 | 60.8 Ų | 60.8 | 57% | 0.57 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -21.6 | 174.2 | -63.7 | -174.4 | 174.9 | -158.5 | -0.5 | 112.9 | S290 | S290-R292 PolarHBondContact O-N 3.46Å; S290-R292 VanDerWaalsContact O-N 3.13Å |
| 293 | N | 81.7 | Confident | 85.8 | Confident | 33 Ų | 33 | 61.5 Ų | 61.5 | 18% | 0.176 | 29% | 0.288 | C | S | . | . | trans | -88.2 | 129.4 | -173 | -162.4 | -39.4 | 0 | 0 | 0 | 112 | Y59 Y289 S290 D295 V296 K297 | Y59-N293 PolarHBondContact OH-ND2 2.73Å; Y59-N293 PolarHBondContact OH-OD1 2.96Å; Y289-N293 WeakPolarHBondContact O-CB 3.43Å; S290-N293 PolarHBondContact O-N 3.5Å; N293-D295 PolarHBondContact OD1-N 3.48Å; N293-D295 PolarHBondContact OD1-OD2 2.86Å; N293-V296 HydrophobicContact CB-CB 4.39Å; N293-V296 HydrophobicContact CB-CG2 4.01Å; N293-K297 WeakPolarHBondContact O-CG 3.35Å; N293-K297 PolarHBondContact O-N 2.97Å | ||
| 294 | K | 85 | Confident | 85.5 | Confident | 167 Ų | 167 | 64.9 Ų | 64.9 | 73% | 0.726 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -67.5 | -38.5 | -179.2 | -69.4 | -177.1 | -178.8 | 178 | 0 | 111.7 | V296 K297 V298 | K294-V296 VanDerWaalsContact C-N 3.35Å; K294-V296 PolarHBondContact O-N 2.78Å; K294-K297 WeakPolarHBondContact O-CB 3.19Å; K294-K297 PolarHBondContact O-N 2.86Å; K294-V298 WeakPolarHBondContact O-CG2 3.46Å; K294-V298 PolarHBondContact O-N 2.84Å |
| 295 | D | 86.2 | Confident | 84.9 | Confident | 75 Ų | 75 | 64.2 Ų | 64.2 | 40% | 0.401 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.6 | -38.2 | -175.5 | -38.2 | -43.5 | 0 | 0 | 0 | 110.5 | L54 Y59 N293 K297 V298 A299 | L54-D295 HydrophobicContact CD2-CB 3.68Å; Y59-D295 HydrophobicContact CE2-CB 4.39Å; Y59-D295 WeakPolarHBondContact OH-CB 3.3Å; Y59-D295 PolarHBondContact OH-OD2 3.49Å; N293-D295 PolarHBondContact OD1-N 3.48Å; N293-D295 PolarHBondContact OD1-OD2 2.86Å; D295-K297 VanDerWaalsContact C-N 3.33Å; D295-K297 PolarHBondContact O-N 3.01Å; D295-V298 PolarHBondContact O-N 2.69Å; D295-A299 WeakPolarHBondContact O-CB 2.98Å; D295-A299 PolarHBondContact O-N 3.33Å |
| 296 | V | 84.6 | Confident | 84 | Confident | 6 Ų | 6 | 70.2 Ų | 70.2 | 4% | 0.036 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 174.9 | -176.2 | 0 | 0 | 0 | 0 | 111.3 | L44 L47 Y59 N293 K294 A299 L300 | L44-V296 HydrophobicContact CD1-CG1 4.3Å; L44-V296 HydrophobicContact CD1-CG2 4.45Å; L47-V296 HydrophobicContact CD1-CG1 4.03Å; Y59-V296 HydrophobicContact CE1-CG2 3.58Å; N293-V296 HydrophobicContact CB-CB 4.39Å; N293-V296 HydrophobicContact CB-CG2 4.01Å; K294-V296 VanDerWaalsContact C-N 3.35Å; K294-V296 PolarHBondContact O-N 2.78Å; V296-A299 PolarHBondContact O-N 2.78Å; V296-L300 WeakPolarHBondContact O-CB 3.38Å; V296-L300 PolarHBondContact O-N 2.02Å |
| 297 | K | 87.4 | Confident | 83 | Confident | 96 Ų | 96 | 76.5 Ų | 76.5 | 42% | 0.417 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 173.9 | -69.9 | 175.7 | -174.9 | 175.2 | 0 | 112.3 | L291 N293 K294 D295 L300 R301 | L291-K297 WeakPolarHBondContact O-CE 3.3Å; L291-K297 PolarHBondContact O-NZ 2.93Å; N293-K297 WeakPolarHBondContact O-CG 3.35Å; N293-K297 PolarHBondContact O-N 2.97Å; K294-K297 WeakPolarHBondContact O-CB 3.19Å; K294-K297 PolarHBondContact O-N 2.86Å; D295-K297 VanDerWaalsContact C-N 3.33Å; D295-K297 PolarHBondContact O-N 3.01Å; K297-L300 PolarHBondContact O-N 1.99Å; K297-R301 WeakPolarHBondContact O-CG 3.09Å; K297-R301 PolarHBondContact O-N 3.31Å |
| 298 | V | 88.8 | Confident | 82 | Confident | 82 Ų | 82 | 80 Ų | 80 | 50% | 0.497 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.9 | -46.4 | 176.4 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | K294 D295 L300 R301 K302 | K294-V298 WeakPolarHBondContact O-CG2 3.46Å; K294-V298 PolarHBondContact O-N 2.84Å; D295-V298 PolarHBondContact O-N 2.69Å; V298-L300 VanDerWaalsContact C-N 3.35Å; V298-L300 PolarHBondContact O-N 3.29Å; V298-R301 PolarHBondContact O-N 2.73Å; V298-K302 WeakPolarHBondContact O-CB 3.13Å; V298-K302 PolarHBondContact O-N 2.77Å |
| 299 | A | 87.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 86.7 Ų | 86.7 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -58.1 | -46.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N51 L54 D295 V296 R301 K302 T303 | N51-A299 HydrophobicContact CB-CB 4.24Å; L54-A299 HydrophobicContact CD1-CB 3.67Å; L54-A299 HydrophobicContact CG-CB 4.3Å; D295-A299 WeakPolarHBondContact O-CB 2.98Å; D295-A299 PolarHBondContact O-N 3.33Å; V296-A299 PolarHBondContact O-N 2.78Å; A299-R301 PolarHBondContact O-N 3.46Å; A299-K302 PolarHBondContact O-N 3.01Å; A299-T303 WeakPolarHBondContact O-CB 2.75Å; A299-T303 PolarHBondContact O-N 3.14Å; A299-T303 PolarHBondContact O-OG1 3.26Å |
| 300 | L | 88.8 | Confident | 79.2 | Confident | 80 Ų | 80 | 93.6 Ų | 93.6 | 42% | 0.419 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.2 | -48.6 | 176.6 | -179.6 | 62.1 | 0 | 0 | 0 | 111.8 | L47 V296 K297 V298 K302 T303 L304 | L47-L300 HydrophobicContact CD1-CB 4.23Å; L47-L300 HydrophobicContact CD1-CD1 4.32Å; L47-L300 HydrophobicContact CD2-CB 4.37Å; L47-L300 HydrophobicContact CD2-CD1 4.29Å; V296-L300 WeakPolarHBondContact O-CB 3.38Å; V296-L300 PolarHBondContact O-N 2.02Å; K297-L300 PolarHBondContact O-N 1.99Å; V298-L300 VanDerWaalsContact C-N 3.35Å; V298-L300 PolarHBondContact O-N 3.29Å; L300-K302 VanDerWaalsContact C-N 3.34Å; L300-K302 PolarHBondContact O-N 3.37Å; L300-T303 PolarHBondContact O-N 3.42Å; L300-L304 HydrophobicContact CD1-CD1 3.92Å; L300-L304 HydrophobicContact CD1-CG 4.13Å; L300-L304 HydrophobicContact CG-CD1 3.97Å; L300-L304 WeakPolarHBondContact O-CB 3.31Å; L300-L304 VanDerWaalsContact O-CG 3.32Å; L300-L304 WeakPolarHBondContact O-CG 3.03Å; L300-L304 PolarHBondContact O-N 3.19Å |
| 301 | R | 89.5 | Confident | 79.4 | Confident | 194 Ų | 194 | 97.5 Ų | 97.5 | 73% | 0.732 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.5 | -43 | 176.8 | -73.4 | 175.9 | -177.7 | -177.2 | -0.3 | 112 | K297 V298 A299 G305 | K297-R301 WeakPolarHBondContact O-CG 3.09Å; K297-R301 PolarHBondContact O-N 3.31Å; V298-R301 PolarHBondContact O-N 2.73Å; A299-R301 PolarHBondContact O-N 3.46Å; R301-G305 PolarHBondContact O-N 2.86Å |
| 302 | K | 88.8 | Confident | 80.1 | Confident | 103 Ų | 103 | 96.9 Ų | 96.9 | 45% | 0.448 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 178.4 | -173.4 | 178.6 | -177.6 | 178.9 | 0 | 111.5 | V298 A299 L300 K306 | V298-K302 WeakPolarHBondContact O-CB 3.13Å; V298-K302 PolarHBondContact O-N 2.77Å; A299-K302 PolarHBondContact O-N 3.01Å; L300-K302 VanDerWaalsContact C-N 3.34Å; L300-K302 PolarHBondContact O-N 3.37Å; K302-K306 WeakPolarHBondContact O-CB 3.42Å; K302-K306 WeakPolarHBondContact O-CG 3.42Å; K302-K306 PolarHBondContact O-N 3.14Å |
| 303 | T | 87.8 | Confident | 80.3 | Confident | 15 Ų | 15 | 93.9 Ų | 93.9 | 9% | 0.092 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 178.6 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | F46 L47 L50 N51 A299 L300 K307 | F46-T303 HydrophobicContact CE1-CG2 3.9Å; L47-T303 HydrophobicContact CD2-CG2 4.48Å; L50-T303 HydrophobicContact CD1-CG2 4.28Å; N51-T303 PolarHBondContact ND2-OG1 3.39Å; A299-T303 WeakPolarHBondContact O-CB 2.75Å; A299-T303 PolarHBondContact O-N 3.14Å; A299-T303 PolarHBondContact O-OG1 3.26Å; L300-T303 PolarHBondContact O-N 3.42Å; T303-K307 PolarHBondContact O-N 3.21Å |
| 304 | L | 88 | Confident | 80.2 | Confident | 93 Ų | 93 | 97.5 Ų | 97.5 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67 | -43 | 175.6 | -69.7 | 173.7 | 0 | 0 | 0 | 111.8 | L300 K306 K307 I308 | L300-L304 HydrophobicContact CD1-CD1 3.92Å; L300-L304 HydrophobicContact CD1-CG 4.13Å; L300-L304 HydrophobicContact CG-CD1 3.97Å; L300-L304 WeakPolarHBondContact O-CB 3.31Å; L300-L304 VanDerWaalsContact O-CG 3.32Å; L300-L304 WeakPolarHBondContact O-CG 3.03Å; L300-L304 PolarHBondContact O-N 3.19Å; L304-K306 VanDerWaalsContact C-N 3.34Å; L304-K306 PolarHBondContact O-N 3.19Å; L304-K307 PolarHBondContact O-N 3.05Å; L304-K307 VanDerWaalsContact O-N 3.1Å; L304-I308 WeakPolarHBondContact O-CG1 3.34Å; L304-I308 PolarHBondContact O-N 2.85Å |
| 305 | G | 81.4 | Confident | 79.9 | Confident | 28 Ų | 28 | 93.2 Ų | 93.2 | 29% | 0.289 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R301 K307 I308 L309 | R301-G305 PolarHBondContact O-N 2.86Å; G305-K307 VanDerWaalsContact C-N 3.32Å; G305-K307 PolarHBondContact O-N 3.1Å; G305-I308 PolarHBondContact O-N 3.08Å; G305-L309 WeakPolarHBondContact O-CB 3.44Å; G305-L309 WeakPolarHBondContact O-CG 3.43Å; G305-L309 PolarHBondContact O-N 3.19Å; G305-L309 VanDerWaalsContact O-N 3.12Å |
| 306 | K | 74.4 | Confident | 79.5 | Confident | 128 Ų | 128 | 94.4 Ų | 94.4 | 56% | 0.557 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.6 | -33.7 | 172.2 | -77.7 | -179.1 | 174.6 | -169.1 | 0 | 113.2 | K302 L304 S310 | K302-K306 WeakPolarHBondContact O-CB 3.42Å; K302-K306 WeakPolarHBondContact O-CG 3.42Å; K302-K306 PolarHBondContact O-N 3.14Å; L304-K306 VanDerWaalsContact C-N 3.34Å; L304-K306 PolarHBondContact O-N 3.19Å; K306-S310 WeakPolarHBondContact O-CB 3.28Å; K306-S310 PolarHBondContact O-N 2.86Å |
| 307 | K | 66.7 | Low | 79.1 | Confident | 137 Ų | 137 | 100.7 Ų | 100.7 | 60% | 0.596 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -76.4 | -27.5 | 176.2 | -78.8 | -171.4 | 175.1 | -172.7 | 0 | 113.6 | T303 L304 G305 | T303-K307 PolarHBondContact O-N 3.21Å; L304-K307 PolarHBondContact O-N 3.05Å; L304-K307 VanDerWaalsContact O-N 3.1Å; G305-K307 VanDerWaalsContact C-N 3.32Å; G305-K307 PolarHBondContact O-N 3.1Å |
| 308 | I | 67.4 | Low | 78.5 | Confident | 142 Ų | 142 | 101.1 Ų | 101.1 | 73% | 0.728 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -77.7 | -30.6 | 175.6 | -66.3 | 167.2 | 0 | 0 | 0 | 111 | L304 G305 | L304-I308 WeakPolarHBondContact O-CG1 3.34Å; L304-I308 PolarHBondContact O-N 2.85Å; G305-I308 PolarHBondContact O-N 3.08Å |
| 309 | L | 60.6 | Low | 77.7 | Confident | 160 Ų | 160 | 102.7 Ų | 102.7 | 84% | 0.838 | 52% | 0.521 | S | S | * | . | trans | -90.2 | -3.4 | -179.5 | -69.7 | 168.8 | 0 | 0 | 0 | 114.5 | G305 | G305-L309 WeakPolarHBondContact O-CB 3.44Å; G305-L309 WeakPolarHBondContact O-CG 3.43Å; G305-L309 PolarHBondContact O-N 3.19Å; G305-L309 VanDerWaalsContact O-N 3.12Å | ||
| 310 | S | 50.6 | Low | 76.7 | Confident | 152 Ų | 152 | 112 Ų | 112 | 100% | 1.063 | 57% | 0.568 | S | S | * | * | trans | -107.9 | 0 | 177.1 | -179 | 0 | 0 | 0 | 0 | 110.7 | K306 | K306-S310 WeakPolarHBondContact O-CB 3.28Å; K306-S310 PolarHBondContact O-N 2.86Å |
Retrieved 310 of 310 residues in 99.6 ms
(Link to these results)