| 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 | 34.3 | Very low | 51.3 | Low | 247 Ų | 247 | 125.8 Ų | 125.8 | 100% | 1.217 | 62% | 0.624 | S | S | * | * | 0 | 94.3 | 0 | -130.6 | -178.3 | -71.3 | 0 | 0 | 106.2 | |||||
| 2 | L | 41.1 | Very low | 51.8 | Low | 170 Ų | 170 | 127.4 Ų | 127.4 | 89% | 0.89 | 62% | 0.618 | S | S | * | * | trans | -72 | 127.6 | -175.5 | -78.2 | 156.3 | 0 | 0 | 0 | 108.8 | M4 | L2-M4 PolarHBondContact O-N 2.7Š| ||
| 3 | Q | 39.9 | Very low | 52.1 | Low | 198 Ų | 198 | 127.9 Ų | 127.9 | 93% | 0.925 | 62% | 0.624 | S | S | * | * | trans | -59.1 | 104.3 | 172.9 | -78.7 | 175.2 | -36.9 | 0 | 0 | 108.7 | ||||
| 4 | M | 48.3 | Very low | 53.4 | Low | 101 Ų | 101 | 125.3 Ų | 125.3 | 50% | 0.498 | 62% | 0.619 | S | S | . | * | trans | -70.6 | 126.9 | 170 | -70.2 | 175.3 | 54.5 | 0 | 0 | 108.1 | L2 L9 | L2-M4 PolarHBondContact O-N 2.7Å; M4-L9 HydrophobicContact CE-CD1 4.26Å | ||
| 5 | N | 59.2 | Low | 55 | Low | 109 Ų | 109 | 118.1 Ų | 118.1 | 58% | 0.583 | 59% | 0.587 | S | S | * | * | trans | -65 | 138.2 | 178.5 | -156.8 | -4.7 | 0 | 0 | 0 | 109.5 | S7 E8 L9 | N5-S7 VanDerWaalsContact CG-OG 3.31Å; N5-S7 PolarHBondContact ND2-OG 3.05Å; N5-S7 PolarHBondContact O-N 3.4Å; N5-E8 PolarHBondContact O-N 3.48Å; N5-L9 PolarHBondContact O-N 3.25Å; N5-L9 VanDerWaalsContact O-N 3.17Å | ||
| 6 | E | 54.8 | Low | 56.8 | Low | 163 Ų | 163 | 117.6 Ų | 117.6 | 76% | 0.762 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -53.7 | -28.8 | -178.3 | -82.5 | -172.5 | 142 | 0 | 0 | 112.8 | L9 Q10 | E6-L9 WeakPolarHBondContact O-CB 3.48Å; E6-L9 PolarHBondContact O-N 2.6Å; E6-Q10 PolarHBondContact O-N 3.35Å |
| 7 | S | 55.6 | Low | 58.2 | Low | 33 Ų | 33 | 114.8 Ų | 114.8 | 23% | 0.231 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -70.7 | -41.7 | 176.4 | 51.1 | 0 | 0 | 0 | 0 | 113.9 | N5 L9 Q10 L11 | N5-S7 VanDerWaalsContact CG-OG 3.31Å; N5-S7 PolarHBondContact ND2-OG 3.05Å; N5-S7 PolarHBondContact O-N 3.4Å; S7-L9 VanDerWaalsContact C-N 3.25Å; S7-L9 PolarHBondContact O-N 3.13Å; S7-Q10 PolarHBondContact O-N 3.44Å; S7-L11 WeakPolarHBondContact O-CB 2.98Å; S7-L11 PolarHBondContact O-N 2.91Å |
| 8 | E | 55.5 | Low | 59.8 | Low | 109 Ų | 109 | 113.4 Ų | 113.4 | 51% | 0.509 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.9 | -34 | 171.6 | -78.9 | -157.4 | 137.2 | 0 | 0 | 111.4 | N5 R12 | N5-E8 PolarHBondContact O-N 3.48Å; E8-R12 WeakPolarHBondContact O-CB 3.21Å; E8-R12 WeakPolarHBondContact O-CG 3.4Å; E8-R12 PolarHBondContact O-N 2.95Å |
| 9 | L | 55.3 | Low | 61.3 | Low | 87 Ų | 87 | 107.5 Ų | 107.5 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.6 | -48.2 | 175.2 | -170.1 | 71.5 | 0 | 0 | 0 | 110.7 | M4 N5 E6 S7 L11 R12 L13 | M4-L9 HydrophobicContact CE-CD1 4.26Å; N5-L9 PolarHBondContact O-N 3.25Å; N5-L9 VanDerWaalsContact O-N 3.17Å; E6-L9 WeakPolarHBondContact O-CB 3.48Å; E6-L9 PolarHBondContact O-N 2.6Å; S7-L9 VanDerWaalsContact C-N 3.25Å; S7-L9 PolarHBondContact O-N 3.13Å; L9-L11 PolarHBondContact O-N 2.87Å; L9-R12 PolarHBondContact O-N 3.37Å; L9-L13 HydrophobicContact CG-CD1 4.12Å; L9-L13 WeakPolarHBondContact O-CB 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.33Å; L9-L13 PolarHBondContact O-N 2.83Å |
| 10 | Q | 59.5 | Low | 62.3 | Low | 141 Ų | 141 | 104.8 Ų | 104.8 | 66% | 0.659 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.7 | -42.4 | 176.2 | -77 | -168.2 | -9 | 0 | 0 | 112.8 | E6 S7 L13 V14 | E6-Q10 PolarHBondContact O-N 3.35Å; S7-Q10 PolarHBondContact O-N 3.44Å; Q10-L13 PolarHBondContact O-N 3.23Å; Q10-V14 WeakPolarHBondContact O-CG2 2.77Å; Q10-V14 PolarHBondContact O-N 3.17Å; Q10-V14 VanDerWaalsContact O-N 3.11Å |
| 11 | L | 61 | Low | 63.5 | Low | 26 Ų | 26 | 108.7 Ų | 108.7 | 14% | 0.136 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -70.8 | -32.8 | -179.3 | -159.7 | 113.4 | 0 | 0 | 0 | 112 | S7 L9 A15 Y89 H92 P112 V113 | S7-L11 WeakPolarHBondContact O-CB 2.98Å; S7-L11 PolarHBondContact O-N 2.91Å; L9-L11 PolarHBondContact O-N 2.87Å; L11-A15 PolarHBondContact O-N 2.9Å; L11-Y89 HydrophobicContact CD1-CD2 4.02Å; L11-Y89 HydrophobicContact CD2-CD2 3.56Å; L11-Y89 HydrophobicContact CD2-CE2 3.65Å; L11-Y89 HydrophobicContact CG-CD2 4.37Å; L11-H92 HydrophobicContact CD1-CB 4.01Å; L11-P112 HydrophobicContact CD2-CG 3.56Å; L11-V113 HydrophobicContact CD2-CG2 4.26Å; L11-V113 HydrophobicContact CG-CG2 4.4Å |
| 12 | R | 57.2 | Low | 66.2 | Low | 145 Ų | 145 | 98.9 Ų | 98.9 | 55% | 0.547 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.7 | -34.7 | 168.6 | -80.4 | -174.9 | 179.4 | -137.7 | 1.9 | 113 | E8 L9 V14 A15 P112 | E8-R12 WeakPolarHBondContact O-CB 3.21Å; E8-R12 WeakPolarHBondContact O-CG 3.4Å; E8-R12 PolarHBondContact O-N 2.95Å; L9-R12 PolarHBondContact O-N 3.37Å; R12-V14 VanDerWaalsContact C-N 3.3Å; R12-V14 PolarHBondContact O-N 2.78Å; R12-A15 WeakPolarHBondContact O-CB 3.34Å; R12-A15 PolarHBondContact O-N 3.47Å; R12-P112 HydrophobicContact CG-CB 4.3Å; R12-P112 HydrophobicContact CG-CG 4.36Å |
| 13 | L | 56.1 | Low | 68.6 | Low | 134 Ų | 134 | 95.4 Ų | 95.4 | 70% | 0.702 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -69.6 | -28.3 | 178.4 | -73.8 | 167.2 | 0 | 0 | 0 | 112.6 | L9 Q10 | L9-L13 HydrophobicContact CG-CD1 4.12Å; L9-L13 WeakPolarHBondContact O-CB 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.33Å; L9-L13 PolarHBondContact O-N 2.83Å; Q10-L13 PolarHBondContact O-N 3.23Å |
| 14 | V | 70.1 | Confident | 70.9 | Confident | 91 Ų | 91 | 87.6 Ų | 87.6 | 55% | 0.552 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -86.8 | -11.2 | 174.9 | 178 | 0 | 0 | 0 | 0 | 112.1 | Q10 R12 R85 | Q10-V14 WeakPolarHBondContact O-CG2 2.77Å; Q10-V14 PolarHBondContact O-N 3.17Å; Q10-V14 VanDerWaalsContact O-N 3.11Å; R12-V14 VanDerWaalsContact C-N 3.3Å; R12-V14 PolarHBondContact O-N 2.78Å; V14-R85 PolarHBondContact O-NH1 3.2Å; V14-R85 VanDerWaalsContact O-NH1 3.11Å; V14-R85 PolarHBondContact O-NH2 3.04Å |
| 15 | A | 77.1 | Confident | 72.9 | Confident | 17 Ų | 17 | 91.8 Ų | 91.8 | 14% | 0.14 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -76.5 | 133.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L11 R12 T20 V113 | L11-A15 PolarHBondContact O-N 2.9Å; R12-A15 WeakPolarHBondContact O-CB 3.34Å; R12-A15 PolarHBondContact O-N 3.47Å; A15-T20 HydrophobicContact CB-CG2 3.51Å; A15-V113 HydrophobicContact CB-CG2 3.63Å |
| 16 | F | 83.8 | Confident | 74.5 | Confident | 110 Ų | 110 | 87.8 Ų | 87.8 | 48% | 0.482 | 43% | 0.425 | S | S | . | . | trans | -73.6 | 153.9 | 173.3 | -67.8 | -65.6 | 0 | 0 | 0 | 110.9 | F18 E19 T20 | F16-F18 HydrophobicContact CB-CD1 3.56Å; F16-F18 HydrophobicContact CB-CE1 3.34Å; F16-F18 HydrophobicContact CB-CZ 4.15Å; F16-F18 AromaticContact CD2-CE1 3.82Å; F16-F18 HydrophobicContact CD2-CE1 3.82Å; F16-F18 HydrophobicContact CD2-CZ 4.16Å; F16-F18 HydrophobicContact CG-CD1 4.37Å; F16-F18 AromaticContact CG-CE1 3.73Å; F16-F18 HydrophobicContact CG-CE1 3.73Å; F16-F18 HydrophobicContact CG-CZ 4.47Å; F16-F18 PolarHBondContact O-N 2.93Å; F16-F18 VanDerWaalsContact O-N 3.16Å; F16-E19 HydrophobicContact CB-CG 4.16Å; F16-E19 PolarHBondContact N-OE2 3.02Å; F16-E19 PolarHBondContact O-N 3.41Å; F16-T20 PolarHBondContact O-N 3.15Å; F16-T20 VanDerWaalsContact O-N 3.15Å; F16-T20 PolarHBondContact O-OG1 3.46Å | ||
| 17 | S | 81.1 | Confident | 76.2 | Confident | 71 Ų | 71 | 80.3 Ų | 80.3 | 50% | 0.497 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.5 | -25.5 | -177.8 | 71.3 | 0 | 0 | 0 | 0 | 113.9 | T20 R21 | S17-T20 PolarHBondContact O-OG1 3.33Å; S17-R21 WeakPolarHBondContact O-CB 3.24Å; S17-R21 VanDerWaalsContact O-CG 3.26Å; S17-R21 WeakPolarHBondContact O-CG 3.34Å; S17-R21 PolarHBondContact O-N 3.28Å; S17-R21 PolarHBondContact O-NE 3.26Å; S17-R21 PolarHBondContact OG-NH2 3.45Å |
| 18 | F | 86.8 | Confident | 78 | Confident | 90 Ų | 90 | 79.4 Ų | 79.4 | 40% | 0.395 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -79.5 | -32 | 176 | 73.3 | -92.7 | 0 | 0 | 0 | 112.1 | F16 F22 F116 | F16-F18 HydrophobicContact CB-CD1 3.56Å; F16-F18 HydrophobicContact CB-CE1 3.34Å; F16-F18 HydrophobicContact CB-CZ 4.15Å; F16-F18 AromaticContact CD2-CE1 3.82Å; F16-F18 HydrophobicContact CD2-CE1 3.82Å; F16-F18 HydrophobicContact CD2-CZ 4.16Å; F16-F18 HydrophobicContact CG-CD1 4.37Å; F16-F18 AromaticContact CG-CE1 3.73Å; F16-F18 HydrophobicContact CG-CE1 3.73Å; F16-F18 HydrophobicContact CG-CZ 4.47Å; F16-F18 PolarHBondContact O-N 2.93Å; F16-F18 VanDerWaalsContact O-N 3.16Å; F18-F22 PolarHBondContact O-N 3.42Å; F18-F116 HydrophobicContact CD2-CD1 4.34Å; F18-F116 HydrophobicContact CD2-CD2 4.31Å; F18-F116 HydrophobicContact CD2-CE1 4.36Å; F18-F116 HydrophobicContact CD2-CE2 4.32Å; F18-F116 HydrophobicContact CD2-CG 4.31Å; F18-F116 HydrophobicContact CD2-CZ 4.34Å; F18-F116 AromaticContact CE2-CD1 3.7Å; F18-F116 HydrophobicContact CE2-CD1 3.7Å; F18-F116 HydrophobicContact CE2-CD2 4.45Å; F18-F116 AromaticContact CE2-CE1 3.66Å; F18-F116 HydrophobicContact CE2-CE1 3.66Å; F18-F116 HydrophobicContact CE2-CE2 4.41Å; F18-F116 HydrophobicContact CE2-CG 4.11Å; F18-F116 HydrophobicContact CE2-CZ 4.03Å |
| 19 | E | 87.8 | Confident | 79.8 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.7 | -43.4 | 177.8 | -62.4 | 170.4 | 149.9 | 0 | 0 | 110.1 | F16 F22 R85 P112 K115 F116 W117 | F16-E19 HydrophobicContact CB-CG 4.16Å; F16-E19 PolarHBondContact N-OE2 3.02Å; F16-E19 PolarHBondContact O-N 3.41Å; E19-F22 WeakPolarHBondContact O-CB 3.36Å; E19-F22 PolarHBondContact O-N 3.32Å; E19-R85 IonicContact OE1-CZ 3.6Å; E19-R85 IonicContact OE1-NE 3.45Å; E19-R85 PolarHBondContact OE1-NE 3.49Å; E19-R85 IonicContact OE1-NH2 2.64Å; E19-R85 PolarHBondContact OE1-NH2 3.16Å; E19-R85 IonicContact OE2-CZ 2.9Å; E19-R85 IonicContact OE2-NE 2.75Å; E19-R85 IonicContact OE2-NH2 3.29Å; E19-R85 PolarHBondContact OE2-NH2 3.37Å; E19-P112 CarbonylContact C-O 3.43Å; E19-K115 WeakPolarHBondContact O-CE 3.35Å; E19-F116 HydrophobicContact CG-CB 4.48Å; E19-W117 PolarHBondContact OE1-NE1 2.9Å |
| 20 | T | 82.4 | Confident | 81.7 | Confident | 53 Ų | 53 | 79.5 Ų | 79.5 | 33% | 0.325 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.5 | -38.4 | -179.8 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | A15 F16 S17 F22 P112 K115 | A15-T20 HydrophobicContact CB-CG2 3.51Å; F16-T20 PolarHBondContact O-N 3.15Å; F16-T20 VanDerWaalsContact O-N 3.15Å; F16-T20 PolarHBondContact O-OG1 3.46Å; S17-T20 PolarHBondContact O-OG1 3.33Å; T20-F22 VanDerWaalsContact C-N 3.33Å; T20-P112 HydrophobicContact CG2-CB 4.48Å; T20-K115 WeakPolarHBondContact O-CE 3.27Å; T20-K115 PolarHBondContact O-NZ 2.94Å |
| 21 | R | 86.8 | Confident | 83.3 | Confident | 188 Ų | 188 | 72.8 Ų | 72.8 | 71% | 0.709 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -4.9 | 179.4 | -70.1 | -175.3 | -73.8 | 178.7 | -3.7 | 114.6 | S17 D23 | S17-R21 WeakPolarHBondContact O-CB 3.24Å; S17-R21 VanDerWaalsContact O-CG 3.26Å; S17-R21 WeakPolarHBondContact O-CG 3.34Å; S17-R21 PolarHBondContact O-N 3.28Å; S17-R21 PolarHBondContact O-NE 3.26Å; S17-R21 PolarHBondContact OG-NH2 3.45Å; R21-D23 PolarHBondContact O-N 3.28Å |
| 22 | F | 90.7 | Very high | 84.7 | Confident | 40 Ų | 40 | 76.3 Ų | 76.3 | 18% | 0.175 | 36% | 0.362 | C | S | . | . | trans | -62.4 | 130.5 | 178.2 | -178.5 | -104.2 | 0 | 0 | 0 | 110.8 | F18 E19 T20 E24 A27 K115 F116 Y119 | F18-F22 PolarHBondContact O-N 3.42Å; E19-F22 WeakPolarHBondContact O-CB 3.36Å; E19-F22 PolarHBondContact O-N 3.32Å; T20-F22 VanDerWaalsContact C-N 3.33Å; F22-E24 HydrophobicContact CD1-CB 4.38Å; F22-E24 HydrophobicContact CE1-CB 4.47Å; F22-E24 PolarHBondContact O-N 2.89Å; F22-A27 HydrophobicContact CE1-CB 3.8Å; F22-A27 HydrophobicContact CZ-CB 3.6Å; F22-K115 HydrophobicContact CB-CG 4.49Å; F22-K115 HydrophobicContact CD1-CB 4.45Å; F22-K115 HydrophobicContact CD1-CG 4.06Å; F22-K115 VanDerWaalsContact O-CE 3.28Å; F22-K115 WeakPolarHBondContact O-CE 3.21Å; F22-K115 PolarHBondContact O-NZ 3.43Å; F22-F116 HydrophobicContact CB-CB 4.19Å; F22-F116 HydrophobicContact CB-CD2 4.49Å; F22-F116 HydrophobicContact CD1-CB 4.31Å; F22-F116 AromaticContact CD2-CD2 3.71Å; F22-F116 HydrophobicContact CD2-CD2 3.71Å; F22-F116 HydrophobicContact CE2-CD2 4.14Å; F22-F116 HydrophobicContact CG-CB 4.08Å; F22-F116 HydrophobicContact CG-CD2 4.1Å; F22-Y119 HydrophobicContact CE1-CD1 4.42Å; F22-Y119 HydrophobicContact CE1-CG 4.32Å; F22-Y119 AromaticContact CE2-CD1 3.86Å; F22-Y119 HydrophobicContact CE2-CD1 3.86Å; F22-Y119 HydrophobicContact CE2-CE1 4.43Å; F22-Y119 AromaticContact CZ-CD1 3.36Å; F22-Y119 HydrophobicContact CZ-CD1 3.36Å; F22-Y119 HydrophobicContact CZ-CE1 4.11Å; F22-Y119 AromaticContact CZ-CG 3.63Å; F22-Y119 HydrophobicContact CZ-CG 3.63Å | ||
| 23 | D | 91.2 | Very high | 86.5 | Confident | 97 Ų | 97 | 74.9 Ų | 74.9 | 52% | 0.519 | 36% | 0.362 | S | S | . | . | trans | -82.3 | 89.4 | 176.8 | 177.8 | 15.9 | 0 | 0 | 0 | 110.3 | R21 R25 G26 A27 | R21-D23 PolarHBondContact O-N 3.28Å; D23-R25 VanDerWaalsContact C-N 3.28Å; D23-R25 PolarHBondContact O-N 3.06Å; D23-R25 PolarHBondContact OD1-N 2.89Å; D23-G26 PolarHBondContact OD1-N 3.28Å; D23-G26 WeakPolarHBondContact OD2-CA 3.47Å; D23-G26 PolarHBondContact OD2-N 3.09Å; D23-A27 WeakPolarHBondContact O-CB 3.44Å; D23-A27 PolarHBondContact O-N 3.32Å; D23-A27 VanDerWaalsContact O-N 3.15Å | ||
| 24 | E | 89.6 | Confident | 88.3 | Confident | 35 Ų | 35 | 69.5 Ų | 69.5 | 16% | 0.164 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.9 | -31.2 | 178.3 | 69.7 | -74.1 | 173.2 | 0 | 0 | 112.9 | F22 A27 I28 N110 K115 | F22-E24 HydrophobicContact CD1-CB 4.38Å; F22-E24 HydrophobicContact CE1-CB 4.47Å; F22-E24 PolarHBondContact O-N 2.89Å; E24-A27 PolarHBondContact O-N 2.87Å; E24-I28 WeakPolarHBondContact O-CB 3.43Å; E24-I28 WeakPolarHBondContact O-CD1 3.17Å; E24-I28 WeakPolarHBondContact O-CG1 3.13Å; E24-I28 PolarHBondContact O-N 3.32Å; E24-N110 HydrophobicContact CG-CB 4.44Å; E24-N110 WeakPolarHBondContact CG-OD1 3.16Å; E24-K115 HydrophobicContact CB-CB 4.07Å; E24-K115 HydrophobicContact CB-CD 4.13Å; E24-K115 HydrophobicContact CG-CD 4.35Å; E24-K115 WeakPolarHBondContact OE2-CD 3.47Å; E24-K115 IonicContact OE2-NZ 3.42Å; E24-K115 PolarHBondContact OE2-NZ 3.36Å |
| 25 | R | 89.8 | Confident | 89.4 | Confident | 189 Ų | 189 | 68.6 Ų | 68.6 | 71% | 0.713 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -70.7 | -46.5 | -178 | -65.6 | -177.1 | -178 | -177.6 | -1.2 | 110.5 | D23 A27 I28 Q29 | D23-R25 VanDerWaalsContact C-N 3.28Å; D23-R25 PolarHBondContact O-N 3.06Å; D23-R25 PolarHBondContact OD1-N 2.89Å; R25-A27 VanDerWaalsContact C-N 3.28Å; R25-A27 PolarHBondContact O-N 3.21Å; R25-I28 PolarHBondContact O-N 3.01Å; R25-Q29 WeakPolarHBondContact O-CB 3.2Å; R25-Q29 PolarHBondContact O-N 2.94Å |
| 26 | G | 92.1 | Very high | 90.1 | Very high | 24 Ų | 24 | 71.8 Ų | 71.8 | 25% | 0.247 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.4 | -40.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D23 Q29 W30 | D23-G26 PolarHBondContact OD1-N 3.28Å; D23-G26 WeakPolarHBondContact OD2-CA 3.47Å; D23-G26 PolarHBondContact OD2-N 3.09Å; G26-Q29 PolarHBondContact O-N 2.93Å; G26-W30 VanDerWaalsContact O-CB 3.31Å; G26-W30 WeakPolarHBondContact O-CB 3.18Å; G26-W30 PolarHBondContact O-N 3.47Å |
| 27 | A | 92.1 | Very high | 90.6 | Very high | 6 Ų | 6 | 70.1 Ų | 70.1 | 5% | 0.05 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | F22 D23 E24 R25 W30 M31 Y119 | F22-A27 HydrophobicContact CE1-CB 3.8Å; F22-A27 HydrophobicContact CZ-CB 3.6Å; D23-A27 WeakPolarHBondContact O-CB 3.44Å; D23-A27 PolarHBondContact O-N 3.32Å; D23-A27 VanDerWaalsContact O-N 3.15Å; E24-A27 PolarHBondContact O-N 2.87Å; R25-A27 VanDerWaalsContact C-N 3.28Å; R25-A27 PolarHBondContact O-N 3.21Å; A27-W30 PolarHBondContact O-N 3.25Å; A27-M31 WeakPolarHBondContact O-CG 3.32Å; A27-M31 PolarHBondContact O-N 2.81Å; A27-Y119 HydrophobicContact CB-CD1 4.38Å; A27-Y119 HydrophobicContact CB-CD2 3.71Å; A27-Y119 HydrophobicContact CB-CE1 4.49Å; A27-Y119 HydrophobicContact CB-CE2 3.88Å; A27-Y119 HydrophobicContact CB-CG 3.96Å |
| 28 | I | 92.3 | Very high | 91.2 | Very high | 15 Ų | 15 | 66.8 Ų | 66.8 | 8% | 0.077 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 176.2 | -69.9 | 160 | 0 | 0 | 0 | 110.4 | E24 R25 W30 M31 Q32 Y161 M164 | E24-I28 WeakPolarHBondContact O-CB 3.43Å; E24-I28 WeakPolarHBondContact O-CD1 3.17Å; E24-I28 WeakPolarHBondContact O-CG1 3.13Å; E24-I28 PolarHBondContact O-N 3.32Å; R25-I28 PolarHBondContact O-N 3.01Å; I28-W30 PolarHBondContact O-N 2.96Å; I28-M31 PolarHBondContact O-N 3.38Å; I28-Q32 HydrophobicContact CG2-CG 4.44Å; I28-Q32 WeakPolarHBondContact O-CG 3.37Å; I28-Q32 PolarHBondContact O-N 3.29Å; I28-Y161 HydrophobicContact CG1-CE1 4.05Å; I28-M164 HydrophobicContact CD1-CG 4.41Å; I28-M164 HydrophobicContact CD1-SD 3.61Å; I28-M164 HydrophobicContact CG1-SD 4.39Å |
| 29 | Q | 94.1 | Very high | 91.6 | Very high | 108 Ų | 108 | 67.7 Ų | 67.7 | 51% | 0.505 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 177.8 | -177.6 | 179.3 | -8.1 | 0 | 0 | 111.2 | R25 G26 M31 Q32 E33 | R25-Q29 WeakPolarHBondContact O-CB 3.2Å; R25-Q29 PolarHBondContact O-N 2.94Å; G26-Q29 PolarHBondContact O-N 2.93Å; Q29-M31 VanDerWaalsContact C-N 3.28Å; Q29-M31 PolarHBondContact O-N 2.92Å; Q29-Q32 WeakPolarHBondContact O-CB 3.32Å; Q29-Q32 PolarHBondContact O-N 3.22Å; Q29-Q32 VanDerWaalsContact O-N 3.11Å; Q29-E33 WeakPolarHBondContact CG-OE1 3.36Å; Q29-E33 PolarHBondContact NE2-OE1 3.22Å; Q29-E33 WeakPolarHBondContact O-CG 3.32Å; Q29-E33 PolarHBondContact O-N 3.41Å |
| 30 | W | 94.4 | Very high | 91.9 | Very high | 89 Ų | 89 | 73 Ų | 73 | 34% | 0.337 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.2 | -43 | 176.5 | -174.4 | 90.9 | 0 | 0 | 0 | 111.3 | G26 A27 I28 E33 N34 Y119 L123 W158 | G26-W30 VanDerWaalsContact O-CB 3.31Å; G26-W30 WeakPolarHBondContact O-CB 3.18Å; G26-W30 PolarHBondContact O-N 3.47Å; A27-W30 PolarHBondContact O-N 3.25Å; I28-W30 PolarHBondContact O-N 2.96Å; W30-E33 PolarHBondContact O-N 3Å; W30-N34 HydrophobicContact CD2-CB 4.16Å; W30-N34 HydrophobicContact CE3-CB 4.29Å; W30-N34 HydrophobicContact CH2-CB 4.26Å; W30-N34 HydrophobicContact CZ2-CB 4.11Å; W30-N34 HydrophobicContact CZ3-CB 4.34Å; W30-N34 PolarHBondContact NE1-ND2 3.37Å; W30-N34 WeakPolarHBondContact O-CB 3.11Å; W30-N34 PolarHBondContact O-N 3.3Å; W30-N34 PolarHBondContact O-ND2 2.78Å; W30-Y119 HydrophobicContact CE3-CE2 4.37Å; W30-L123 HydrophobicContact CH2-CD2 4.48Å; W30-L123 HydrophobicContact CZ3-CD2 4.14Å; W30-W158 AromaticContact CH2-CH2 3.73Å; W30-W158 HydrophobicContact CH2-CH2 3.73Å; W30-W158 AromaticContact CH2-CZ3 3.9Å; W30-W158 HydrophobicContact CH2-CZ3 3.9Å; W30-W158 HydrophobicContact CZ3-CH2 4.01Å; W30-W158 HydrophobicContact CZ3-CZ3 4.01Å |
| 31 | M | 92.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65 | -38.8 | 176.4 | -74.1 | -61.7 | -48.6 | 0 | 0 | 112.4 | A27 I28 Q29 E33 N34 W35 Y119 V122 W158 Y161 | A27-M31 WeakPolarHBondContact O-CG 3.32Å; A27-M31 PolarHBondContact O-N 2.81Å; I28-M31 PolarHBondContact O-N 3.38Å; Q29-M31 VanDerWaalsContact C-N 3.28Å; Q29-M31 PolarHBondContact O-N 2.92Å; M31-E33 VanDerWaalsContact C-N 3.31Å; M31-E33 PolarHBondContact O-N 2.86Å; M31-N34 PolarHBondContact O-N 2.89Å; M31-W35 WeakPolarHBondContact O-CA 3.26Å; M31-W35 VanDerWaalsContact O-CB 3.23Å; M31-W35 WeakPolarHBondContact O-CB 3.41Å; M31-W35 PolarHBondContact O-N 3.32Å; M31-Y119 HydrophobicContact CG-CD2 4.33Å; M31-Y119 HydrophobicContact CG-CE2 3.93Å; M31-Y119 HydrophobicContact SD-CE2 4.23Å; M31-V122 HydrophobicContact CE-CG1 3.67Å; M31-V122 HydrophobicContact SD-CG1 4.13Å; M31-W158 HydrophobicContact CE-CB 3.74Å; M31-W158 HydrophobicContact CE-CD2 3.88Å; M31-W158 HydrophobicContact CE-CE3 4.03Å; M31-W158 HydrophobicContact CE-CG 3.81Å; M31-W158 WeakPolarHBondContact CE-O 3.34Å; M31-Y161 HydrophobicContact CB-CD1 3.77Å; M31-Y161 HydrophobicContact CB-CE1 4.19Å; M31-Y161 HydrophobicContact CG-CD1 3.49Å; M31-Y161 VanDerWaalsContact CG-CD1 3.49Å; M31-Y161 HydrophobicContact CG-CE1 3.73Å; M31-Y161 HydrophobicContact CG-CG 4.49Å |
| 32 | Q | 92 | Very high | 92.9 | Very high | 100 Ų | 100 | 65.2 Ų | 65.2 | 47% | 0.467 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.2 | -36.3 | 175.6 | -72.9 | 174.1 | -9.7 | 0 | 0 | 112.7 | I28 Q29 W35 K162 | I28-Q32 HydrophobicContact CG2-CG 4.44Å; I28-Q32 WeakPolarHBondContact O-CG 3.37Å; I28-Q32 PolarHBondContact O-N 3.29Å; Q29-Q32 WeakPolarHBondContact O-CB 3.32Å; Q29-Q32 PolarHBondContact O-N 3.22Å; Q29-Q32 VanDerWaalsContact O-N 3.11Å; Q32-W35 VanDerWaalsContact O-CD1 3.25Å; Q32-K162 HydrophobicContact CG-CB 4.01Å; Q32-K162 PolarHBondContact NE2-O 3.33Å |
| 33 | E | 94 | Very high | 93.2 | Very high | 115 Ų | 115 | 68.4 Ų | 68.4 | 54% | 0.537 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -79.9 | -29.6 | 178 | -69.3 | 171.8 | -169.8 | 0 | 0 | 112.9 | Q29 W30 M31 | Q29-E33 WeakPolarHBondContact CG-OE1 3.36Å; Q29-E33 PolarHBondContact NE2-OE1 3.22Å; Q29-E33 WeakPolarHBondContact O-CG 3.32Å; Q29-E33 PolarHBondContact O-N 3.41Å; W30-E33 PolarHBondContact O-N 3Å; M31-E33 VanDerWaalsContact C-N 3.31Å; M31-E33 PolarHBondContact O-N 2.86Å |
| 34 | N | 94.5 | Very high | 93.4 | Very high | 21 Ų | 21 | 68.3 Ų | 68.3 | 11% | 0.112 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -121.1 | 2.4 | -164.4 | -61.3 | -78.1 | 0 | 0 | 0 | 115.1 | W30 M31 N36 K37 | W30-N34 HydrophobicContact CD2-CB 4.16Å; W30-N34 HydrophobicContact CE3-CB 4.29Å; W30-N34 HydrophobicContact CH2-CB 4.26Å; W30-N34 HydrophobicContact CZ2-CB 4.11Å; W30-N34 HydrophobicContact CZ3-CB 4.34Å; W30-N34 PolarHBondContact NE1-ND2 3.37Å; W30-N34 WeakPolarHBondContact O-CB 3.11Å; W30-N34 PolarHBondContact O-N 3.3Å; W30-N34 PolarHBondContact O-ND2 2.78Å; M31-N34 PolarHBondContact O-N 2.89Å; N34-N36 PolarHBondContact O-N 2.91Å; N34-N36 VanDerWaalsContact O-N 3.1Å; N34-K37 HydrophobicContact CB-CD 4.02Å; N34-K37 HydrophobicContact CB-CG 4.43Å; N34-K37 VanDerWaalsContact O-CB 3.28Å; N34-K37 WeakPolarHBondContact O-CB 3.46Å; N34-K37 WeakPolarHBondContact O-CG 3.32Å; N34-K37 PolarHBondContact O-N 3.49Å; N34-K37 WeakPolarHBondContact OD1-CE 3.33Å; N34-K37 PolarHBondContact OD1-NZ 2.84Å |
| 35 | W | 92.1 | Very high | 93.7 | Very high | 73 Ų | 73 | 67.2 Ų | 67.2 | 28% | 0.277 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -31.8 | -179.8 | 69.1 | -83.9 | 0 | 0 | 0 | 112.7 | M31 Q32 K37 S38 F39 W158 Y159 K162 | M31-W35 WeakPolarHBondContact O-CA 3.26Å; M31-W35 VanDerWaalsContact O-CB 3.23Å; M31-W35 WeakPolarHBondContact O-CB 3.41Å; M31-W35 PolarHBondContact O-N 3.32Å; Q32-W35 VanDerWaalsContact O-CD1 3.25Å; W35-K37 PolarHBondContact O-N 3.38Å; W35-S38 VanDerWaalsContact O-CB 3.28Å; W35-S38 WeakPolarHBondContact O-CB 3.49Å; W35-S38 PolarHBondContact O-N 2.88Å; W35-S38 VanDerWaalsContact O-N 3.15Å; W35-S38 PolarHBondContact O-OG 3.39Å; W35-F39 HydrophobicContact CE3-CE2 4.3Å; W35-F39 HydrophobicContact CH2-CE2 4.08Å; W35-F39 AromaticContact CZ3-CE2 3.52Å; W35-F39 HydrophobicContact CZ3-CE2 3.52Å; W35-F39 HydrophobicContact CZ3-CZ 4.14Å; W35-W158 HydrophobicContact CB-CB 4.49Å; W35-Y159 HydrophobicContact CD2-CD2 4.43Å; W35-Y159 AromaticContact CE3-CD2 3.87Å; W35-Y159 HydrophobicContact CE3-CD2 3.87Å; W35-Y159 HydrophobicContact CH2-CD2 4.22Å; W35-Y159 AromaticContact CZ3-CD2 3.74Å; W35-Y159 HydrophobicContact CZ3-CD2 3.74Å; W35-Y159 HydrophobicContact CZ3-CE2 4.46Å; W35-K162 HydrophobicContact CB-CD 4.34Å; W35-K162 HydrophobicContact CD2-CD 4.12Å; W35-K162 HydrophobicContact CG-CD 3.78Å |
| 36 | N | 92.8 | Very high | 94 | Very high | 84 Ų | 84 | 59.4 Ų | 59.4 | 45% | 0.449 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -20 | 178.1 | 64.5 | -5.4 | 0 | 0 | 0 | 113.6 | N34 S38 F39 | N34-N36 PolarHBondContact O-N 2.91Å; N34-N36 VanDerWaalsContact O-N 3.1Å; N36-S38 PolarHBondContact O-N 3.08Å; N36-F39 WeakPolarHBondContact O-CB 3.48Å; N36-F39 WeakPolarHBondContact O-CD2 3.36Å; N36-F39 PolarHBondContact O-N 3.4Å; N36-F39 VanDerWaalsContact O-N 3.1Å |
| 37 | K | 93.1 | Very high | 94.1 | Very high | 74 Ų | 74 | 61.2 Ų | 61.2 | 32% | 0.322 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.5 | -22.6 | 174.2 | -65.8 | -176.9 | 178.2 | 161.2 | 0 | 112.2 | N34 W35 F39 M40 F41 W158 | N34-K37 HydrophobicContact CB-CD 4.02Å; N34-K37 HydrophobicContact CB-CG 4.43Å; N34-K37 VanDerWaalsContact O-CB 3.28Å; N34-K37 WeakPolarHBondContact O-CB 3.46Å; N34-K37 WeakPolarHBondContact O-CG 3.32Å; N34-K37 PolarHBondContact O-N 3.49Å; N34-K37 WeakPolarHBondContact OD1-CE 3.33Å; N34-K37 PolarHBondContact OD1-NZ 2.84Å; W35-K37 PolarHBondContact O-N 3.38Å; K37-F39 PolarHBondContact O-N 2.87Å; K37-M40 HydrophobicContact CB-CE 4.3Å; K37-M40 HydrophobicContact CG-CE 4.45Å; K37-M40 WeakPolarHBondContact O-CB 3.26Å; K37-M40 PolarHBondContact O-N 3.24Å; K37-M40 VanDerWaalsContact O-N 3.17Å; K37-F41 HydrophobicContact CB-CE2 4.17Å; K37-F41 VanDerWaalsContact O-CD2 3.32Å; K37-F41 WeakPolarHBondContact O-CD2 3.26Å; K37-F41 WeakPolarHBondContact O-CG 3.25Å; K37-F41 PolarHBondContact O-N 3.25Å; K37-W158 HydrophobicContact CB-CZ3 4.09Å |
| 38 | S | 93.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.007 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.3 | -37.8 | 172.5 | 63.6 | 0 | 0 | 0 | 0 | 112.4 | W35 N36 F41 S42 L155 | W35-S38 VanDerWaalsContact O-CB 3.28Å; W35-S38 WeakPolarHBondContact O-CB 3.49Å; W35-S38 PolarHBondContact O-N 2.88Å; W35-S38 VanDerWaalsContact O-N 3.15Å; W35-S38 PolarHBondContact O-OG 3.39Å; N36-S38 PolarHBondContact O-N 3.08Å; S38-F41 PolarHBondContact O-N 3.07Å; S38-S42 PolarHBondContact O-N 3.14Å; S38-S42 PolarHBondContact O-OG 2.77Å; S38-S42 VanDerWaalsContact O-OG 3.06Å; S38-L155 WeakPolarHBondContact OG-CD2 3.46Å |
| 39 | F | 95.4 | Very high | 94.4 | Very high | 109 Ų | 109 | 65.9 Ų | 65.9 | 48% | 0.478 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 175.5 | -68.4 | -71.4 | 0 | 0 | 0 | 112.2 | W35 N36 K37 F41 S42 V43 L155 | W35-F39 HydrophobicContact CE3-CE2 4.3Å; W35-F39 HydrophobicContact CH2-CE2 4.08Å; W35-F39 AromaticContact CZ3-CE2 3.52Å; W35-F39 HydrophobicContact CZ3-CE2 3.52Å; W35-F39 HydrophobicContact CZ3-CZ 4.14Å; N36-F39 WeakPolarHBondContact O-CB 3.48Å; N36-F39 WeakPolarHBondContact O-CD2 3.36Å; N36-F39 PolarHBondContact O-N 3.4Å; N36-F39 VanDerWaalsContact O-N 3.1Å; K37-F39 PolarHBondContact O-N 2.87Å; F39-F41 VanDerWaalsContact C-N 3.33Å; F39-F41 PolarHBondContact O-N 2.83Å; F39-S42 PolarHBondContact O-N 3.21Å; F39-V43 WeakPolarHBondContact O-CG2 3.46Å; F39-V43 PolarHBondContact O-N 3.06Å; F39-L155 HydrophobicContact CB-CD2 4.49Å; F39-L155 HydrophobicContact CD1-CD1 4.43Å; F39-L155 HydrophobicContact CD1-CD2 3.57Å; F39-L155 HydrophobicContact CE1-CD1 4.32Å; F39-L155 HydrophobicContact CE1-CD2 3.86Å; F39-L155 HydrophobicContact CG-CD2 3.98Å |
| 40 | M | 95.3 | Very high | 94.4 | Very high | 113 Ų | 113 | 65.7 Ų | 65.7 | 56% | 0.557 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.8 | -44.6 | 176.6 | 179 | -171.2 | 56.9 | 0 | 0 | 110.7 | K37 S42 V43 L44 | K37-M40 HydrophobicContact CB-CE 4.3Å; K37-M40 HydrophobicContact CG-CE 4.45Å; K37-M40 WeakPolarHBondContact O-CB 3.26Å; K37-M40 PolarHBondContact O-N 3.24Å; K37-M40 VanDerWaalsContact O-N 3.17Å; M40-S42 PolarHBondContact O-N 3Å; M40-V43 PolarHBondContact O-N 3.26Å; M40-L44 WeakPolarHBondContact O-CB 3.1Å; M40-L44 PolarHBondContact O-N 3.18Å |
| 41 | F | 94.8 | Very high | 94.4 | Very high | 66 Ų | 66 | 63.4 Ų | 63.4 | 29% | 0.289 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62 | -40.2 | 175 | -67 | -41.5 | 0 | 0 | 0 | 112.5 | K37 S38 F39 Y45 L154 W158 | K37-F41 HydrophobicContact CB-CE2 4.17Å; K37-F41 VanDerWaalsContact O-CD2 3.32Å; K37-F41 WeakPolarHBondContact O-CD2 3.26Å; K37-F41 WeakPolarHBondContact O-CG 3.25Å; K37-F41 PolarHBondContact O-N 3.25Å; S38-F41 PolarHBondContact O-N 3.07Å; F39-F41 VanDerWaalsContact C-N 3.33Å; F39-F41 PolarHBondContact O-N 2.83Å; F41-Y45 WeakPolarHBondContact O-CB 3.06Å; F41-Y45 PolarHBondContact O-N 3.18Å; F41-L154 HydrophobicContact CB-CD2 3.85Å; F41-W158 HydrophobicContact CD2-CH2 4.22Å; F41-W158 AromaticContact CE2-CH2 3.66Å; F41-W158 HydrophobicContact CE2-CH2 3.66Å; F41-W158 HydrophobicContact CE2-CZ2 4.26Å; F41-W158 HydrophobicContact CE2-CZ3 4.17Å |
| 42 | S | 95.3 | Very high | 94.4 | Very high | 11 Ų | 11 | 64.2 Ų | 64.2 | 8% | 0.077 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 176 | -64.3 | 0 | 0 | 0 | 0 | 113 | S38 F39 M40 Y45 A46 | S38-S42 PolarHBondContact O-N 3.14Å; S38-S42 PolarHBondContact O-OG 2.77Å; S38-S42 VanDerWaalsContact O-OG 3.06Å; F39-S42 PolarHBondContact O-N 3.21Å; M40-S42 PolarHBondContact O-N 3Å; S42-Y45 PolarHBondContact O-N 2.6Å; S42-A46 WeakPolarHBondContact O-CB 3.22Å; S42-A46 PolarHBondContact O-N 3.48Å |
| 43 | V | 95.6 | Very high | 94.5 | Very high | 106 Ų | 106 | 62.8 Ų | 62.8 | 64% | 0.642 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.1 | -47.9 | 176.6 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | F39 M40 Y45 A46 A47 | F39-V43 WeakPolarHBondContact O-CG2 3.46Å; F39-V43 PolarHBondContact O-N 3.06Å; M40-V43 PolarHBondContact O-N 3.26Å; V43-Y45 VanDerWaalsContact C-N 3.31Å; V43-Y45 PolarHBondContact O-N 2.81Å; V43-A46 PolarHBondContact O-N 2.9Å; V43-A47 WeakPolarHBondContact O-CB 3.24Å; V43-A47 PolarHBondContact O-N 3.38Å |
| 44 | L | 95.8 | Very high | 94.6 | Very high | 95 Ų | 95 | 63.5 Ų | 63.5 | 50% | 0.497 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 176.5 | 177.6 | 60.5 | 0 | 0 | 0 | 111 | M40 A47 L48 | M40-L44 WeakPolarHBondContact O-CB 3.1Å; M40-L44 PolarHBondContact O-N 3.18Å; L44-A47 PolarHBondContact O-N 2.96Å; L44-L48 HydrophobicContact CD1-CD1 4.03Å; L44-L48 HydrophobicContact CD1-CG 4.06Å; L44-L48 HydrophobicContact CG-CD1 3.91Å; L44-L48 HydrophobicContact CG-CG 4.35Å; L44-L48 WeakPolarHBondContact O-CB 3.3Å; L44-L48 VanDerWaalsContact O-CG 3.26Å; L44-L48 WeakPolarHBondContact O-CG 3.44Å; L44-L48 PolarHBondContact O-N 3.17Å |
| 45 | Y | 96.1 | Very high | 94.6 | Very high | 12 Ų | 12 | 67.8 Ų | 67.8 | 5% | 0.047 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.8 | -49.6 | 175.9 | 166.7 | -99.1 | 0 | 0 | 0 | 112.2 | F41 S42 V43 A47 L48 V49 L129 T132 W147 I151 | F41-Y45 WeakPolarHBondContact O-CB 3.06Å; F41-Y45 PolarHBondContact O-N 3.18Å; S42-Y45 PolarHBondContact O-N 2.6Å; V43-Y45 VanDerWaalsContact C-N 3.31Å; V43-Y45 PolarHBondContact O-N 2.81Å; Y45-A47 VanDerWaalsContact C-N 3.33Å; Y45-A47 PolarHBondContact O-N 3.33Å; Y45-L48 PolarHBondContact O-N 3.32Å; Y45-V49 HydrophobicContact CD1-CG2 4.49Å; Y45-V49 HydrophobicContact CD2-CG2 3.95Å; Y45-V49 HydrophobicContact CE1-CG2 4.17Å; Y45-V49 HydrophobicContact CE2-CG2 3.62Å; Y45-V49 HydrophobicContact CG-CG2 4.4Å; Y45-V49 WeakPolarHBondContact O-CB 3.32Å; Y45-V49 VanDerWaalsContact O-CG2 3.23Å; Y45-V49 WeakPolarHBondContact O-CG2 3.5Å; Y45-V49 PolarHBondContact O-N 2.83Å; Y45-L129 HydrophobicContact CD1-CD2 4.48Å; Y45-L129 HydrophobicContact CD2-CB 3.75Å; Y45-L129 HydrophobicContact CD2-CD1 4.15Å; Y45-L129 HydrophobicContact CD2-CD2 3.81Å; Y45-L129 HydrophobicContact CD2-CG 4.11Å; Y45-L129 HydrophobicContact CE2-CB 4.02Å; Y45-L129 HydrophobicContact CE2-CD2 3.94Å; Y45-L129 HydrophobicContact CG-CD1 4.28Å; Y45-L129 HydrophobicContact CG-CD2 4.06Å; Y45-T132 HydrophobicContact CE2-CG2 4.16Å; Y45-T132 WeakPolarHBondContact OH-CB 3.28Å; Y45-T132 WeakPolarHBondContact OH-CG2 2.89Å; Y45-T132 PolarHBondContact OH-OG1 3.33Å; Y45-W147 HydrophobicContact CE1-CB 4.19Å; Y45-W147 VanDerWaalsContact OH-CA 3.3Å; Y45-W147 WeakPolarHBondContact OH-CA 3.44Å; Y45-W147 WeakPolarHBondContact OH-CB 3.47Å; Y45-I151 HydrophobicContact CD1-CD1 3.83Å; Y45-I151 HydrophobicContact CD1-CG1 3.5Å; Y45-I151 VanDerWaalsContact CD1-CG1 3.5Å; Y45-I151 HydrophobicContact CE1-CD1 3.9Å; Y45-I151 HydrophobicContact CE1-CG1 3.56Å |
| 46 | A | 94.9 | Very high | 94.7 | Very high | 26 Ų | 26 | 64.7 Ų | 64.7 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.9 | -45 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | S42 V43 L48 V49 F50 I151 | S42-A46 WeakPolarHBondContact O-CB 3.22Å; S42-A46 PolarHBondContact O-N 3.48Å; V43-A46 PolarHBondContact O-N 2.9Å; A46-L48 PolarHBondContact O-N 3.46Å; A46-V49 PolarHBondContact O-N 3.29Å; A46-F50 HydrophobicContact CB-CD2 4.47Å; A46-F50 HydrophobicContact CB-CE2 4.42Å; A46-F50 WeakPolarHBondContact O-CD2 3.32Å; A46-F50 PolarHBondContact O-N 3.07Å; A46-I151 HydrophobicContact CB-CD1 4.46Å |
| 47 | A | 95.8 | Very high | 94.7 | Very high | 61 Ų | 61 | 67.7 Ų | 67.7 | 50% | 0.504 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | V43 L44 Y45 G51 | V43-A47 WeakPolarHBondContact O-CB 3.24Å; V43-A47 PolarHBondContact O-N 3.38Å; L44-A47 PolarHBondContact O-N 2.96Å; Y45-A47 VanDerWaalsContact C-N 3.33Å; Y45-A47 PolarHBondContact O-N 3.33Å; A47-G51 WeakPolarHBondContact O-CA 3.49Å; A47-G51 PolarHBondContact O-N 3.47Å |
| 48 | L | 95.1 | Very high | 94.8 | Very high | 113 Ų | 113 | 69.4 Ų | 69.4 | 59% | 0.592 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -66.3 | -37 | 177.7 | -71.8 | 174.7 | 0 | 0 | 0 | 112.6 | L44 Y45 A46 G52 | L44-L48 HydrophobicContact CD1-CD1 4.03Å; L44-L48 HydrophobicContact CD1-CG 4.06Å; L44-L48 HydrophobicContact CG-CD1 3.91Å; L44-L48 HydrophobicContact CG-CG 4.35Å; L44-L48 WeakPolarHBondContact O-CB 3.3Å; L44-L48 VanDerWaalsContact O-CG 3.26Å; L44-L48 WeakPolarHBondContact O-CG 3.44Å; L44-L48 PolarHBondContact O-N 3.17Å; Y45-L48 PolarHBondContact O-N 3.32Å; A46-L48 PolarHBondContact O-N 3.46Å; L48-G52 VanDerWaalsContact O-CA 3.24Å; L48-G52 WeakPolarHBondContact O-CA 3.11Å; L48-G52 PolarHBondContact O-N 3.22Å |
| 49 | V | 94.4 | Very high | 94.8 | Very high | 7 Ų | 7 | 74.2 Ų | 74.2 | 4% | 0.042 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.7 | -53.2 | 178.6 | 168.3 | 0 | 0 | 0 | 0 | 110.9 | Y45 A46 Q53 T132 V136 L142 | Y45-V49 HydrophobicContact CD1-CG2 4.49Å; Y45-V49 HydrophobicContact CD2-CG2 3.95Å; Y45-V49 HydrophobicContact CE1-CG2 4.17Å; Y45-V49 HydrophobicContact CE2-CG2 3.62Å; Y45-V49 HydrophobicContact CG-CG2 4.4Å; Y45-V49 WeakPolarHBondContact O-CB 3.32Å; Y45-V49 VanDerWaalsContact O-CG2 3.23Å; Y45-V49 WeakPolarHBondContact O-CG2 3.5Å; Y45-V49 PolarHBondContact O-N 2.83Å; A46-V49 PolarHBondContact O-N 3.29Å; V49-Q53 WeakPolarHBondContact O-CB 3.28Å; V49-Q53 WeakPolarHBondContact O-CG 3.48Å; V49-Q53 PolarHBondContact O-N 3.43Å; V49-T132 HydrophobicContact CG1-CG2 4.16Å; V49-T132 HydrophobicContact CG2-CG2 3.55Å; V49-V136 HydrophobicContact CG1-CG2 4.39Å; V49-L142 HydrophobicContact CG1-CD2 3.32Å |
| 50 | F | 93.7 | Very high | 94.7 | Very high | 104 Ų | 104 | 74 Ų | 74 | 46% | 0.456 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -73.4 | -40 | -178 | -66.2 | -63.2 | 0 | 0 | 0 | 112.1 | A46 Q53 H54 W147 | A46-F50 HydrophobicContact CB-CD2 4.47Å; A46-F50 HydrophobicContact CB-CE2 4.42Å; A46-F50 WeakPolarHBondContact O-CD2 3.32Å; A46-F50 PolarHBondContact O-N 3.07Å; F50-Q53 PolarHBondContact O-N 3.37Å; F50-H54 PolarHBondContact O-N 3.28Å; F50-W147 HydrophobicContact CZ-CZ2 4.49Å |
| 51 | G | 94.8 | Very high | 94.7 | Very high | 40 Ų | 40 | 76.3 Ų | 76.3 | 41% | 0.412 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A47 Q53 H54 F55 | A47-G51 WeakPolarHBondContact O-CA 3.49Å; A47-G51 PolarHBondContact O-N 3.47Å; G51-Q53 PolarHBondContact O-N 2.92Å; G51-H54 PolarHBondContact O-N 2.93Å; G51-F55 VanDerWaalsContact O-CB 3.27Å; G51-F55 WeakPolarHBondContact O-CB 3.39Å; G51-F55 PolarHBondContact O-N 3.47Å |
| 52 | G | 93.9 | Very high | 94.6 | Very high | 18 Ų | 18 | 76.8 Ų | 76.8 | 19% | 0.186 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L48 F55 M56 V136 | L48-G52 VanDerWaalsContact O-CA 3.24Å; L48-G52 WeakPolarHBondContact O-CA 3.11Å; L48-G52 PolarHBondContact O-N 3.22Å; G52-F55 PolarHBondContact O-N 2.87Å; G52-M56 WeakPolarHBondContact O-CB 3.47Å; G52-M56 VanDerWaalsContact O-CG 3.3Å; G52-M56 WeakPolarHBondContact O-CG 3.18Å; G52-M56 PolarHBondContact O-N 2.89Å; G52-V136 VanDerWaalsContact C-CG1 3.4Å |
| 53 | Q | 93.9 | Very high | 94.4 | Very high | 70 Ų | 70 | 83.1 Ų | 83.1 | 33% | 0.327 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61 | -47 | 172.8 | -79.5 | -175.1 | -24.8 | 0 | 0 | 111.7 | V49 F50 G51 M56 K57 V136 | V49-Q53 WeakPolarHBondContact O-CB 3.28Å; V49-Q53 WeakPolarHBondContact O-CG 3.48Å; V49-Q53 PolarHBondContact O-N 3.43Å; F50-Q53 PolarHBondContact O-N 3.37Å; G51-Q53 PolarHBondContact O-N 2.92Å; Q53-M56 PolarHBondContact O-N 3.24Å; Q53-K57 WeakPolarHBondContact O-CG 3.23Å; Q53-K57 PolarHBondContact O-N 3.06Å; Q53-V136 HydrophobicContact CG-CG1 4.13Å; Q53-V136 HydrophobicContact CG-CG2 4Å |
| 54 | H | 94.6 | Very high | 94.3 | Very high | 129 Ų | 129 | 79.8 Ų | 79.8 | 60% | 0.597 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62 | -46.5 | 177.5 | -170.9 | 96.1 | 0 | 0 | 0 | 111.5 | F50 G51 M56 K57 | F50-H54 PolarHBondContact O-N 3.28Å; G51-H54 PolarHBondContact O-N 2.93Å; H54-M56 VanDerWaalsContact C-N 3.3Å; H54-M56 PolarHBondContact O-N 2.99Å; H54-K57 WeakPolarHBondContact O-CB 3.42Å; H54-K57 PolarHBondContact O-N 3.49Å; H54-K57 VanDerWaalsContact O-N 3.17Å |
| 55 | F | 95.1 | Very high | 94.1 | Very high | 112 Ų | 112 | 81.3 Ų | 81.3 | 49% | 0.491 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60 | -38.2 | 177 | -179.4 | -95.8 | 0 | 0 | 0 | 112.5 | G51 G52 P58 R59 | G51-F55 VanDerWaalsContact O-CB 3.27Å; G51-F55 WeakPolarHBondContact O-CB 3.39Å; G51-F55 PolarHBondContact O-N 3.47Å; G52-F55 PolarHBondContact O-N 2.87Å; F55-P58 WeakPolarHBondContact O-CD 3.37Å; F55-R59 PolarHBondContact O-NH1 2.92Å |
| 56 | M | 94.9 | Very high | 94.1 | Very high | 8 Ų | 8 | 86.4 Ų | 86.4 | 4% | 0.039 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -78.8 | -14.3 | 179.5 | -72.5 | -59.2 | -69.8 | 0 | 0 | 113.4 | G52 Q53 H54 R59 P60 L62 V136 L137 K139 | G52-M56 WeakPolarHBondContact O-CB 3.47Å; G52-M56 VanDerWaalsContact O-CG 3.3Å; G52-M56 WeakPolarHBondContact O-CG 3.18Å; G52-M56 PolarHBondContact O-N 2.89Å; Q53-M56 PolarHBondContact O-N 3.24Å; H54-M56 VanDerWaalsContact C-N 3.3Å; H54-M56 PolarHBondContact O-N 2.99Å; M56-R59 HydrophobicContact CE-CB 4.27Å; M56-R59 PolarHBondContact O-N 2.9Å; M56-R59 HydrophobicContact SD-CB 4.19Å; M56-P60 WeakPolarHBondContact CE-O 3.43Å; M56-L62 HydrophobicContact CE-CG 4.09Å; M56-V136 HydrophobicContact CG-CG1 4.41Å; M56-L137 WeakPolarHBondContact CE-O 3.38Å; M56-L137 HydrophobicContact CG-CD2 4.33Å; M56-L137 HydrophobicContact SD-CD2 4.13Å; M56-K139 WeakPolarHBondContact O-CE 3.47Å; M56-K139 PolarHBondContact O-NZ 3.24Å |
| 57 | K | 92.6 | Very high | 94.1 | Very high | 147 Ų | 147 | 88.1 Ų | 88.1 | 64% | 0.639 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | -56.2 | -179.9 | -74.8 | 179.8 | -176.7 | -177.5 | 0 | 113 | Q53 H54 R59 K139 | Q53-K57 WeakPolarHBondContact O-CG 3.23Å; Q53-K57 PolarHBondContact O-N 3.06Å; H54-K57 WeakPolarHBondContact O-CB 3.42Å; H54-K57 PolarHBondContact O-N 3.49Å; H54-K57 VanDerWaalsContact O-N 3.17Å; K57-R59 VanDerWaalsContact C-N 3.32Å; K57-R59 PolarHBondContact O-N 3.13Å; K57-K139 PolarHBondContact O-NZ 3.14Å |
| 58 | P | 95.6 | Very high | 94.1 | Very high | 109 Ų | 109 | 86.3 Ų | 86.3 | 71% | 0.708 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -9.4 | -179.1 | 31.6 | -37.5 | 0 | 0 | 0 | 114.8 | F55 | F55-P58 WeakPolarHBondContact O-CD 3.37Š|
| 59 | R | 93.5 | Very high | 94.2 | Very high | 102 Ų | 102 | 82.2 Ų | 82.2 | 39% | 0.385 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -95.6 | 153.6 | -171.3 | -67.2 | -175.4 | 170.9 | 88.6 | -3.5 | 113 | F55 M56 K57 K139 | F55-R59 PolarHBondContact O-NH1 2.92Å; M56-R59 HydrophobicContact CE-CB 4.27Å; M56-R59 PolarHBondContact O-N 2.9Å; M56-R59 HydrophobicContact SD-CB 4.19Å; K57-R59 VanDerWaalsContact C-N 3.32Å; K57-R59 PolarHBondContact O-N 3.13Å; R59-K139 WeakPolarHBondContact O-CE 3.48Å; R59-K139 PolarHBondContact O-NZ 3.42Å |
| 60 | P | 93 | Very high | 94.3 | Very high | 105 Ų | 105 | 86.8 Ų | 86.8 | 68% | 0.682 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 158.1 | 170 | 28.2 | -34.1 | 0 | 0 | 0 | 111.6 | M56 | M56-P60 WeakPolarHBondContact CE-O 3.43Š|
| 61 | K | 94.3 | Very high | 94.5 | Very high | 161 Ų | 161 | 85.1 Ų | 85.1 | 70% | 0.7 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 137.8 | 172.6 | 64.4 | -176.7 | 179.2 | -176.4 | 0 | 109.9 | K139 | K61-K139 HydrophobicContact CB-CB 4.28Å; K61-K139 HydrophobicContact CB-CD 4.31Å; K61-K139 HydrophobicContact CB-CG 4.28Å |
| 62 | L | 93.3 | Very high | 94.6 | Very high | 76 Ų | 76 | 83.3 Ų | 83.3 | 40% | 0.398 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -84.2 | 141.8 | 177.8 | -60.3 | -177.8 | 0 | 0 | 0 | 111.5 | M56 L64 L137 | M56-L62 HydrophobicContact CE-CG 4.09Å; L62-L64 HydrophobicContact CB-CD1 4.19Å; L62-L64 HydrophobicContact CB-CD2 4.35Å; L62-L64 HydrophobicContact CB-CG 3.89Å; L62-L64 PolarHBondContact O-N 3.36Å; L62-L137 HydrophobicContact CD1-CB 4.29Å; L62-L137 HydrophobicContact CD1-CD2 4.15Å; L62-L137 PolarHBondContact N-O 3.31Å; L62-L137 VanDerWaalsContact N-O 3.13Å |
| 63 | N | 92.3 | Very high | 94.8 | Very high | 145 Ų | 145 | 86.6 Ų | 86.6 | 78% | 0.775 | 43% | 0.428 | S | S | * | . | trans | -88.4 | 82.7 | 172.1 | -171.2 | 1 | 0 | 0 | 0 | 110.5 | R65 | N63-R65 VanDerWaalsContact C-N 3.32Å; N63-R65 PolarHBondContact O-N 3.4Å; N63-R65 WeakPolarHBondContact OD1-CB 3.29Å; N63-R65 PolarHBondContact OD1-N 3.2Å | ||
| 64 | L | 92.8 | Very high | 95 | Very high | 36 Ų | 36 | 86.3 Ų | 86.3 | 19% | 0.188 | 43% | 0.434 | C | S | . | . | trans | -97.2 | 33 | 180 | -60 | 174 | 0 | 0 | 0 | 112.2 | L62 L68 F134 L137 R138 | L62-L64 HydrophobicContact CB-CD1 4.19Å; L62-L64 HydrophobicContact CB-CD2 4.35Å; L62-L64 HydrophobicContact CB-CG 3.89Å; L62-L64 PolarHBondContact O-N 3.36Å; L64-L68 WeakPolarHBondContact O-CB 3.44Å; L64-L68 PolarHBondContact O-N 3.43Å; L64-F134 HydrophobicContact CB-CD1 4.09Å; L64-F134 HydrophobicContact CB-CE1 4.23Å; L64-F134 HydrophobicContact CD1-CD1 4.07Å; L64-F134 HydrophobicContact CD1-CE1 4.42Å; L64-L137 HydrophobicContact CD1-CB 3.61Å; L64-L137 HydrophobicContact CD1-CD1 3.74Å; L64-L137 HydrophobicContact CD1-CG 4.34Å; L64-R138 HydrophobicContact CB-CG 4.4Å; L64-R138 HydrophobicContact CD1-CG 4.49Å | ||
| 65 | R | 92.3 | Very high | 95.1 | Very high | 127 Ų | 127 | 80.8 Ų | 80.8 | 48% | 0.479 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.7 | -54.2 | -173 | -174.1 | 176.5 | 176.4 | -174 | -9.6 | 112.4 | N63 L68 V69 A190 A191 | N63-R65 VanDerWaalsContact C-N 3.32Å; N63-R65 PolarHBondContact O-N 3.4Å; N63-R65 WeakPolarHBondContact OD1-CB 3.29Å; N63-R65 PolarHBondContact OD1-N 3.2Å; R65-L68 PolarHBondContact O-N 3.02Å; R65-V69 WeakPolarHBondContact O-CG2 3.35Å; R65-V69 PolarHBondContact O-N 3.42Å; R65-A190 WeakPolarHBondContact CG-O 3.27Å; R65-A190 PolarHBondContact NE-O 2.8Å; R65-A191 VanDerWaalsContact NH2-C 3.31Å; R65-A191 PolarHBondContact NH2-O 3.03Å |
| 66 | L | 94.3 | Very high | 95.2 | Very high | 119 Ų | 119 | 75.5 Ų | 75.5 | 62% | 0.623 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.3 | -48.6 | -179.6 | 176 | 66.4 | 0 | 0 | 0 | 112 | L68 V69 L70 | L66-L68 VanDerWaalsContact C-N 3.3Å; L66-L68 PolarHBondContact O-N 3.5Å; L66-V69 PolarHBondContact O-N 3.3Å; L66-V69 VanDerWaalsContact O-N 3.15Å; L66-L70 HydrophobicContact CD1-CD1 4.29Å; L66-L70 HydrophobicContact CD1-CG 4.23Å; L66-L70 HydrophobicContact CG-CD1 4.28Å; L66-L70 WeakPolarHBondContact O-CG 3.31Å; L66-L70 PolarHBondContact O-N 2.84Å |
| 67 | P | 96.5 | Very high | 95.4 | Very high | 61 Ų | 61 | 78.5 Ų | 78.5 | 40% | 0.396 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -55.3 | -42.3 | 173 | -28.9 | 35.8 | 0 | 0 | 0 | 113.5 | V69 L70 W71 F134 | P67-V69 PolarHBondContact O-N 3.46Å; P67-L70 PolarHBondContact O-N 3.35Å; P67-W71 WeakPolarHBondContact O-CB 3.23Å; P67-W71 PolarHBondContact O-N 2.95Å; P67-F134 HydrophobicContact CB-CE1 3.97Å; P67-F134 HydrophobicContact CB-CZ 4.34Å |
| 68 | L | 95.7 | Very high | 95.6 | Very high | 24 Ų | 24 | 73.9 Ų | 73.9 | 13% | 0.126 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 178.1 | 179.1 | 63.3 | 0 | 0 | 0 | 112.3 | L64 R65 L66 S72 F134 A190 | L64-L68 WeakPolarHBondContact O-CB 3.44Å; L64-L68 PolarHBondContact O-N 3.43Å; R65-L68 PolarHBondContact O-N 3.02Å; L66-L68 VanDerWaalsContact C-N 3.3Å; L66-L68 PolarHBondContact O-N 3.5Å; L68-S72 VanDerWaalsContact O-CB 3.32Å; L68-S72 WeakPolarHBondContact O-CB 3.4Å; L68-S72 PolarHBondContact O-N 3.48Å; L68-S72 PolarHBondContact O-OG 2.57Å; L68-S72 VanDerWaalsContact O-OG 3.08Å; L68-F134 HydrophobicContact CB-CD1 4.15Å; L68-F134 HydrophobicContact CB-CE1 4.26Å; L68-F134 HydrophobicContact CD1-CB 4.04Å; L68-F134 HydrophobicContact CD1-CD1 4.18Å; L68-F134 HydrophobicContact CD1-CD2 4.08Å; L68-F134 HydrophobicContact CD1-CG 3.84Å; L68-A190 HydrophobicContact CD2-CB 4.02Å; L68-A190 HydrophobicContact CG-CB 3.95Å |
| 69 | V | 96.6 | Very high | 95.7 | Very high | 26 Ų | 26 | 68.8 Ų | 68.8 | 16% | 0.158 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62 | -52.7 | 174.8 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | R65 L66 P67 W71 S72 L73 A190 A191 | R65-V69 WeakPolarHBondContact O-CG2 3.35Å; R65-V69 PolarHBondContact O-N 3.42Å; L66-V69 PolarHBondContact O-N 3.3Å; L66-V69 VanDerWaalsContact O-N 3.15Å; P67-V69 PolarHBondContact O-N 3.46Å; V69-W71 VanDerWaalsContact C-N 3.29Å; V69-W71 PolarHBondContact O-N 3.11Å; V69-S72 PolarHBondContact O-N 3.43Å; V69-L73 WeakPolarHBondContact O-CB 3.44Å; V69-L73 PolarHBondContact O-N 3.49Å; V69-A190 HydrophobicContact CB-CB 4.44Å; V69-A190 HydrophobicContact CG2-CB 3.48Å; V69-A190 VanDerWaalsContact CG2-CB 3.48Å; V69-A190 WeakPolarHBondContact CG2-O 3.17Å; V69-A191 HydrophobicContact CG1-CB 4.4Å; V69-A191 HydrophobicContact CG2-CB 4.15Å; V69-A191 VanDerWaalsContact CG2-N 3.3Å |
| 70 | L | 97.1 | Very high | 95.9 | Very high | 104 Ų | 104 | 67.2 Ų | 67.2 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.3 | -40.9 | -178.7 | -65.7 | 176.5 | 0 | 0 | 0 | 111.4 | L66 P67 L73 S74 | L66-L70 HydrophobicContact CD1-CD1 4.29Å; L66-L70 HydrophobicContact CD1-CG 4.23Å; L66-L70 HydrophobicContact CG-CD1 4.28Å; L66-L70 WeakPolarHBondContact O-CG 3.31Å; L66-L70 PolarHBondContact O-N 2.84Å; P67-L70 PolarHBondContact O-N 3.35Å; L70-L73 PolarHBondContact O-N 3.34Å; L70-S74 WeakPolarHBondContact O-CB 3.36Å; L70-S74 PolarHBondContact O-N 3.16Å; L70-S74 PolarHBondContact O-OG 3.33Å |
| 71 | W | 97.6 | Very high | 96.1 | Very high | 68 Ų | 68 | 65.5 Ų | 65.5 | 26% | 0.258 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.3 | -50.9 | 176.4 | 178.7 | -94.2 | 0 | 0 | 0 | 113 | P67 V69 L73 S74 L75 P127 D131 F134 | P67-W71 WeakPolarHBondContact O-CB 3.23Å; P67-W71 PolarHBondContact O-N 2.95Å; V69-W71 VanDerWaalsContact C-N 3.29Å; V69-W71 PolarHBondContact O-N 3.11Å; W71-L73 VanDerWaalsContact C-N 3.27Å; W71-L73 PolarHBondContact O-N 2.95Å; W71-S74 PolarHBondContact O-N 2.93Å; W71-S74 PolarHBondContact O-OG 2.91Å; W71-L75 HydrophobicContact CZ2-CD1 4.05Å; W71-L75 PolarHBondContact O-N 3.37Å; W71-L75 VanDerWaalsContact O-N 3.13Å; W71-P127 HydrophobicContact CH2-CB 4.14Å; W71-P127 VanDerWaalsContact CH2-O 3.25Å; W71-P127 WeakPolarHBondContact CH2-O 2.95Å; W71-P127 WeakPolarHBondContact CZ2-O 3.26Å; W71-D131 PolarHBondContact NE1-OD1 3.27Å; W71-F134 HydrophobicContact CB-CE2 3.89Å; W71-F134 HydrophobicContact CB-CZ 4.01Å; W71-F134 AromaticContact CD1-CE2 3.65Å; W71-F134 AromaticContact CD2-CE2 3.83Å; W71-F134 HydrophobicContact CD2-CE2 3.83Å; W71-F134 HydrophobicContact CG-CD2 4.36Å; W71-F134 AromaticContact CG-CE2 3.5Å; W71-F134 HydrophobicContact CG-CE2 3.5Å; W71-F134 VanDerWaalsContact CG-CE2 3.5Å; W71-F134 HydrophobicContact CG-CZ 4.11Å |
| 72 | S | 97.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65 | -35.2 | 177.8 | -65.9 | 0 | 0 | 0 | 0 | 111.5 | L68 V69 A76 | L68-S72 VanDerWaalsContact O-CB 3.32Å; L68-S72 WeakPolarHBondContact O-CB 3.4Å; L68-S72 PolarHBondContact O-N 3.48Å; L68-S72 PolarHBondContact O-OG 2.57Å; L68-S72 VanDerWaalsContact O-OG 3.08Å; V69-S72 PolarHBondContact O-N 3.43Å; S72-A76 VanDerWaalsContact O-CB 3.27Å; S72-A76 WeakPolarHBondContact O-CB 3.19Å; S72-A76 PolarHBondContact O-N 3.41Å |
| 73 | L | 97.3 | Very high | 96.3 | Very high | 87 Ų | 87 | 55 Ų | 55 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.7 | -41.7 | 177.3 | -177.3 | 63.1 | 0 | 0 | 0 | 111.7 | V69 L70 W71 A76 V77 A187 | V69-L73 WeakPolarHBondContact O-CB 3.44Å; V69-L73 PolarHBondContact O-N 3.49Å; L70-L73 PolarHBondContact O-N 3.34Å; W71-L73 VanDerWaalsContact C-N 3.27Å; W71-L73 PolarHBondContact O-N 2.95Å; L73-A76 WeakPolarHBondContact O-CB 3.35Å; L73-A76 PolarHBondContact O-N 3.07Å; L73-V77 HydrophobicContact CD1-CG2 4.35Å; L73-V77 WeakPolarHBondContact O-CG2 3.16Å; L73-V77 PolarHBondContact O-N 3.48Å; L73-A187 HydrophobicContact CB-CB 4.29Å |
| 74 | S | 97.8 | Very high | 96.4 | Very high | 63 Ų | 63 | 53.1 Ų | 53.1 | 44% | 0.441 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 177.4 | 66.5 | 0 | 0 | 0 | 0 | 111.4 | L70 W71 A76 V77 F78 | L70-S74 WeakPolarHBondContact O-CB 3.36Å; L70-S74 PolarHBondContact O-N 3.16Å; L70-S74 PolarHBondContact O-OG 3.33Å; W71-S74 PolarHBondContact O-N 2.93Å; W71-S74 PolarHBondContact O-OG 2.91Å; S74-A76 VanDerWaalsContact C-N 3.34Å; S74-A76 PolarHBondContact O-N 3.5Å; S74-V77 PolarHBondContact O-N 3.48Å; S74-F78 VanDerWaalsContact O-CB 3.29Å; S74-F78 WeakPolarHBondContact O-CB 3.42Å; S74-F78 PolarHBondContact O-N 2.8Å |
| 75 | L | 97.6 | Very high | 96.4 | Very high | 13 Ų | 13 | 52.5 Ų | 52.5 | 7% | 0.068 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.4 | -34.4 | 174.5 | -67.9 | 177.9 | 0 | 0 | 0 | 112.5 | W71 S79 E128 Y183 | W71-L75 HydrophobicContact CZ2-CD1 4.05Å; W71-L75 PolarHBondContact O-N 3.37Å; W71-L75 VanDerWaalsContact O-N 3.13Å; L75-S79 VanDerWaalsContact O-CB 3.26Å; L75-S79 WeakPolarHBondContact O-CB 3.35Å; L75-S79 PolarHBondContact O-N 2.63Å; L75-S79 PolarHBondContact O-OG 3.13Å; L75-E128 HydrophobicContact CD2-CG 4.46Å; L75-Y183 HydrophobicContact CB-CD1 3.86Å; L75-Y183 HydrophobicContact CB-CD2 3.77Å; L75-Y183 HydrophobicContact CB-CE1 4.06Å; L75-Y183 HydrophobicContact CB-CE2 3.95Å; L75-Y183 HydrophobicContact CB-CG 3.73Å; L75-Y183 HydrophobicContact CD1-CD1 4.06Å; L75-Y183 HydrophobicContact CD1-CE1 3.46Å; L75-Y183 VanDerWaalsContact CD1-CE1 3.46Å; L75-Y183 HydrophobicContact CD1-CE2 4.12Å; L75-Y183 HydrophobicContact CG-CE1 4.41Å |
| 76 | A | 97.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 2% | 0.017 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.8 | -51.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S72 L73 S74 F78 S79 I80 | S72-A76 VanDerWaalsContact O-CB 3.27Å; S72-A76 WeakPolarHBondContact O-CB 3.19Å; S72-A76 PolarHBondContact O-N 3.41Å; L73-A76 WeakPolarHBondContact O-CB 3.35Å; L73-A76 PolarHBondContact O-N 3.07Å; S74-A76 VanDerWaalsContact C-N 3.34Å; S74-A76 PolarHBondContact O-N 3.5Å; A76-F78 PolarHBondContact O-N 2.96Å; A76-S79 PolarHBondContact O-N 3.15Å; A76-I80 WeakPolarHBondContact O-CB 3.46Å; A76-I80 WeakPolarHBondContact O-CD1 3.46Å; A76-I80 WeakPolarHBondContact O-CG1 3.46Å; A76-I80 PolarHBondContact O-N 3.06Å |
| 77 | V | 98 | Very high | 96.4 | Very high | 71 Ų | 71 | 41.4 Ų | 41.4 | 43% | 0.43 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.4 | -47.3 | 178.8 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | L73 S74 S79 I80 I81 | L73-V77 HydrophobicContact CD1-CG2 4.35Å; L73-V77 WeakPolarHBondContact O-CG2 3.16Å; L73-V77 PolarHBondContact O-N 3.48Å; S74-V77 PolarHBondContact O-N 3.48Å; V77-S79 VanDerWaalsContact C-N 3.3Å; V77-S79 PolarHBondContact O-N 3.07Å; V77-I80 PolarHBondContact O-N 3.15Å; V77-I81 HydrophobicContact CG1-CD1 3.75Å; V77-I81 HydrophobicContact CG1-CG1 4.42Å; V77-I81 VanDerWaalsContact O-CG1 3.3Å; V77-I81 WeakPolarHBondContact O-CG1 3.48Å; V77-I81 PolarHBondContact O-N 3.24Å |
| 78 | F | 97.9 | Very high | 96.1 | Very high | 50 Ų | 50 | 41 Ų | 41 | 22% | 0.219 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.8 | -47.6 | 175.1 | 172.6 | -106.4 | 0 | 0 | 0 | 111.6 | S74 A76 G82 W117 A120 S124 Y176 | S74-F78 VanDerWaalsContact O-CB 3.29Å; S74-F78 WeakPolarHBondContact O-CB 3.42Å; S74-F78 PolarHBondContact O-N 2.8Å; A76-F78 PolarHBondContact O-N 2.96Å; F78-G82 PolarHBondContact O-N 3.1Å; F78-W117 HydrophobicContact CD2-CZ3 4.12Å; F78-W117 HydrophobicContact CE2-CE3 4.42Å; F78-W117 AromaticContact CE2-CZ3 3.97Å; F78-W117 HydrophobicContact CE2-CZ3 3.97Å; F78-A120 HydrophobicContact CE2-CB 3.96Å; F78-A120 HydrophobicContact CZ-CB 4.02Å; F78-S124 VanDerWaalsContact CE1-CB 3.44Å; F78-Y176 HydrophobicContact CD1-CE1 4.21Å; F78-Y176 AromaticContact CE1-CE1 3.57Å; F78-Y176 HydrophobicContact CE1-CE1 3.57Å; F78-Y176 AromaticContact CZ-CE1 3.82Å; F78-Y176 HydrophobicContact CZ-CE1 3.82Å; F78-Y176 WeakPolarHBondContact CZ-OH 3.3Å |
| 79 | S | 97.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.6 | -35.9 | -178.1 | -55 | 0 | 0 | 0 | 0 | 113.1 | L75 A76 V77 A83 | L75-S79 VanDerWaalsContact O-CB 3.26Å; L75-S79 WeakPolarHBondContact O-CB 3.35Å; L75-S79 PolarHBondContact O-N 2.63Å; L75-S79 PolarHBondContact O-OG 3.13Å; A76-S79 PolarHBondContact O-N 3.15Å; V77-S79 VanDerWaalsContact C-N 3.3Å; V77-S79 PolarHBondContact O-N 3.07Å; S79-A83 WeakPolarHBondContact O-CB 3.16Å; S79-A83 PolarHBondContact O-N 3.45Å |
| 80 | I | 97.9 | Very high | 95.5 | Very high | 69 Ų | 69 | 39.7 Ų | 39.7 | 35% | 0.354 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.2 | -49.5 | 176.6 | -71.6 | 163.2 | 0 | 0 | 0 | 110 | A76 V77 A83 I84 A180 | A76-I80 WeakPolarHBondContact O-CB 3.46Å; A76-I80 WeakPolarHBondContact O-CD1 3.46Å; A76-I80 WeakPolarHBondContact O-CG1 3.46Å; A76-I80 PolarHBondContact O-N 3.06Å; V77-I80 PolarHBondContact O-N 3.15Å; I80-A83 PolarHBondContact O-N 3.1Å; I80-I84 HydrophobicContact CG2-CD1 3.85Å; I80-I84 VanDerWaalsContact O-CG1 3.31Å; I80-I84 WeakPolarHBondContact O-CG1 3.28Å; I80-I84 PolarHBondContact O-N 3.06Å; I80-A180 HydrophobicContact CB-CB 4.46Å; I80-A180 HydrophobicContact CG1-CB 3.68Å |
| 81 | I | 96.3 | Very high | 95.2 | Very high | 70 Ų | 70 | 40.3 Ų | 40.3 | 36% | 0.359 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.6 | -47.3 | 179.2 | -57.5 | 168 | 0 | 0 | 0 | 108.9 | V77 A83 I84 R85 W117 | V77-I81 HydrophobicContact CG1-CD1 3.75Å; V77-I81 HydrophobicContact CG1-CG1 4.42Å; V77-I81 VanDerWaalsContact O-CG1 3.3Å; V77-I81 WeakPolarHBondContact O-CG1 3.48Å; V77-I81 PolarHBondContact O-N 3.24Å; I81-A83 VanDerWaalsContact C-N 3.34Å; I81-A83 PolarHBondContact O-N 3.49Å; I81-I84 PolarHBondContact O-N 3.19Å; I81-R85 HydrophobicContact CG2-CG 3.99Å; I81-R85 WeakPolarHBondContact O-CG 3.33Å; I81-R85 PolarHBondContact O-N 3.03Å; I81-W117 HydrophobicContact CB-CH2 3.7Å; I81-W117 HydrophobicContact CB-CZ2 4.27Å; I81-W117 HydrophobicContact CB-CZ3 4.37Å; I81-W117 HydrophobicContact CG2-CH2 3.26Å; I81-W117 HydrophobicContact CG2-CZ2 3.34Å; I81-W117 HydrophobicContact CG2-CZ3 4.29Å |
| 82 | G | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -53.3 | -48.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F78 I84 R85 T86 W117 | F78-G82 PolarHBondContact O-N 3.1Å; G82-I84 PolarHBondContact O-N 3.24Å; G82-R85 PolarHBondContact O-N 2.87Å; G82-T86 WeakPolarHBondContact O-CB 3.4Å; G82-T86 WeakPolarHBondContact O-CG2 3.44Å; G82-T86 PolarHBondContact O-N 3.18Å; G82-T86 PolarHBondContact O-OG1 3.02Å; G82-T86 VanDerWaalsContact O-OG1 3.04Å; G82-W117 VanDerWaalsContact CA-CE3 3.44Å |
| 83 | A | 96.4 | Very high | 94.3 | Very high | 15 Ų | 15 | 39.9 Ų | 39.9 | 12% | 0.124 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -42.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S79 I80 I81 G87 | S79-A83 WeakPolarHBondContact O-CB 3.16Å; S79-A83 PolarHBondContact O-N 3.45Å; I80-A83 PolarHBondContact O-N 3.1Å; I81-A83 VanDerWaalsContact C-N 3.34Å; I81-A83 PolarHBondContact O-N 3.49Å; A83-G87 VanDerWaalsContact O-CA 3.22Å; A83-G87 WeakPolarHBondContact O-CA 3.44Å; A83-G87 PolarHBondContact O-N 3.38Å |
| 84 | I | 94.3 | Very high | 93.9 | Very high | 107 Ų | 107 | 38.4 Ų | 38.4 | 55% | 0.549 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.7 | -48.4 | 178 | -68.4 | 166.8 | 0 | 0 | 0 | 110 | I80 I81 G82 S88 | I80-I84 HydrophobicContact CG2-CD1 3.85Å; I80-I84 VanDerWaalsContact O-CG1 3.31Å; I80-I84 WeakPolarHBondContact O-CG1 3.28Å; I80-I84 PolarHBondContact O-N 3.06Å; I81-I84 PolarHBondContact O-N 3.19Å; G82-I84 PolarHBondContact O-N 3.24Å; I84-S88 WeakPolarHBondContact O-CB 3.26Å; I84-S88 PolarHBondContact O-N 3.36Å; I84-S88 PolarHBondContact O-OG 3.41Å; I84-S88 VanDerWaalsContact O-OG 3.09Å |
| 85 | R | 92.2 | Very high | 93.5 | Very high | 22 Ų | 22 | 40.2 Ų | 40.2 | 8% | 0.083 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.9 | -46.5 | -174.6 | -60.3 | -59.2 | -69.8 | 169.8 | 0.6 | 112.3 | V14 E19 I81 G82 S88 Y89 V113 W117 | V14-R85 PolarHBondContact O-NH1 3.2Å; V14-R85 VanDerWaalsContact O-NH1 3.11Å; V14-R85 PolarHBondContact O-NH2 3.04Å; E19-R85 IonicContact OE1-CZ 3.6Å; E19-R85 IonicContact OE1-NE 3.45Å; E19-R85 PolarHBondContact OE1-NE 3.49Å; E19-R85 IonicContact OE1-NH2 2.64Å; E19-R85 PolarHBondContact OE1-NH2 3.16Å; E19-R85 IonicContact OE2-CZ 2.9Å; E19-R85 IonicContact OE2-NE 2.75Å; E19-R85 IonicContact OE2-NH2 3.29Å; E19-R85 PolarHBondContact OE2-NH2 3.37Å; I81-R85 HydrophobicContact CG2-CG 3.99Å; I81-R85 WeakPolarHBondContact O-CG 3.33Å; I81-R85 PolarHBondContact O-N 3.03Å; G82-R85 PolarHBondContact O-N 2.87Å; R85-S88 PolarHBondContact O-OG 3.2Å; R85-Y89 PolarHBondContact O-N 3.07Å; R85-V113 HydrophobicContact CB-CG1 4.04Å; R85-W117 HydrophobicContact CB-CD2 4.36Å; R85-W117 HydrophobicContact CB-CG 4.22Å; R85-W117 HydrophobicContact CG-CZ2 3.97Å |
| 86 | T | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -74.7 | -34.2 | 177.7 | 71 | 0 | 0 | 0 | 0 | 111.3 | G82 Y89 M90 F108 W117 T173 Y176 | G82-T86 WeakPolarHBondContact O-CB 3.4Å; G82-T86 WeakPolarHBondContact O-CG2 3.44Å; G82-T86 PolarHBondContact O-N 3.18Å; G82-T86 PolarHBondContact O-OG1 3.02Å; G82-T86 VanDerWaalsContact O-OG1 3.04Å; T86-Y89 PolarHBondContact O-N 3.23Å; T86-M90 WeakPolarHBondContact O-CB 3.48Å; T86-M90 VanDerWaalsContact O-CG 3.27Å; T86-M90 WeakPolarHBondContact O-CG 3.49Å; T86-M90 PolarHBondContact O-N 3Å; T86-F108 HydrophobicContact CG2-CE2 4.24Å; T86-F108 HydrophobicContact CG2-CZ 3.68Å; T86-W117 HydrophobicContact CG2-CB 3.61Å; T86-W117 HydrophobicContact CG2-CG 4.29Å; T86-T173 VanDerWaalsContact CB-OG1 3.3Å; T86-T173 WeakPolarHBondContact CB-OG1 3.3Å; T86-T173 PolarHBondContact OG1-OG1 3.42Å; T86-Y176 HydrophobicContact CG2-CD2 4.15Å; T86-Y176 HydrophobicContact CG2-CE2 4.08Å |
| 87 | G | 92.6 | Very high | 92.4 | Very high | 14 Ų | 14 | 45.6 Ų | 45.6 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A83 Y89 M90 L91 | A83-G87 VanDerWaalsContact O-CA 3.22Å; A83-G87 WeakPolarHBondContact O-CA 3.44Å; A83-G87 PolarHBondContact O-N 3.38Å; G87-Y89 VanDerWaalsContact C-N 3.27Å; G87-Y89 PolarHBondContact O-N 3.43Å; G87-M90 PolarHBondContact O-N 2.92Å; G87-L91 WeakPolarHBondContact O-CB 3.26Å; G87-L91 WeakPolarHBondContact O-CG 3.45Å; G87-L91 PolarHBondContact O-N 2.83Å |
| 88 | S | 90.5 | Very high | 92 | Very high | 52 Ų | 52 | 43.7 Ų | 43.7 | 36% | 0.364 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 175.9 | 59.2 | 0 | 0 | 0 | 0 | 112 | I84 R85 H92 | I84-S88 WeakPolarHBondContact O-CB 3.26Å; I84-S88 PolarHBondContact O-N 3.36Å; I84-S88 PolarHBondContact O-OG 3.41Å; I84-S88 VanDerWaalsContact O-OG 3.09Å; R85-S88 PolarHBondContact O-OG 3.2Å; S88-H92 WeakPolarHBondContact O-CB 3.19Å; S88-H92 PolarHBondContact O-N 3.31Å |
| 89 | Y | 89.8 | Confident | 91.7 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 5% | 0.051 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67 | -44.1 | 177.2 | -176.6 | -98 | 0 | 0 | 0 | 112.3 | L11 R85 T86 G87 H92 I93 S107 F108 S114 | L11-Y89 HydrophobicContact CD1-CD2 4.02Å; L11-Y89 HydrophobicContact CD2-CD2 3.56Å; L11-Y89 HydrophobicContact CD2-CE2 3.65Å; L11-Y89 HydrophobicContact CG-CD2 4.37Å; R85-Y89 PolarHBondContact O-N 3.07Å; T86-Y89 PolarHBondContact O-N 3.23Å; G87-Y89 VanDerWaalsContact C-N 3.27Å; G87-Y89 PolarHBondContact O-N 3.43Å; Y89-H92 WeakPolarHBondContact O-CB 3.39Å; Y89-H92 PolarHBondContact O-N 3.2Å; Y89-I93 HydrophobicContact CD1-CD1 3.77Å; Y89-I93 HydrophobicContact CE1-CD1 3.15Å; Y89-I93 HydrophobicContact CE1-CG1 4.16Å; Y89-I93 HydrophobicContact CE2-CD1 4.46Å; Y89-I93 PolarHBondContact O-N 2.93Å; Y89-S107 PolarHBondContact OH-O 3.45Å; Y89-S107 PolarHBondContact OH-OG 3.07Å; Y89-F108 AromaticContact CD1-CD2 3.62Å; Y89-F108 HydrophobicContact CD1-CD2 3.62Å; Y89-F108 HydrophobicContact CD1-CE2 4.08Å; Y89-F108 HydrophobicContact CE1-CB 4.19Å; Y89-F108 AromaticContact CE1-CD2 3.77Å; Y89-F108 HydrophobicContact CE1-CD2 3.77Å; Y89-F108 HydrophobicContact CE1-CG 4.35Å; Y89-S114 WeakPolarHBondContact CE1-OG 3.36Å |
| 90 | M | 91.3 | Very high | 91.3 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 5% | 0.049 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.5 | -40.4 | 177.3 | -73.6 | -57 | -60.2 | 0 | 0 | 112.3 | T86 G87 H92 I93 L94 F108 W170 T173 | T86-M90 WeakPolarHBondContact O-CB 3.48Å; T86-M90 VanDerWaalsContact O-CG 3.27Å; T86-M90 WeakPolarHBondContact O-CG 3.49Å; T86-M90 PolarHBondContact O-N 3Å; G87-M90 PolarHBondContact O-N 2.92Å; M90-H92 VanDerWaalsContact C-N 3.31Å; M90-H92 PolarHBondContact O-N 2.65Å; M90-I93 PolarHBondContact O-N 2.94Å; M90-L94 VanDerWaalsContact O-CB 3.25Å; M90-L94 WeakPolarHBondContact O-CB 3.45Å; M90-L94 PolarHBondContact O-N 3.48Å; M90-F108 HydrophobicContact CG-CD2 4.34Å; M90-F108 HydrophobicContact CG-CE2 4.03Å; M90-F108 HydrophobicContact SD-CD2 3.62Å; M90-F108 HydrophobicContact SD-CE2 3.9Å; M90-W170 HydrophobicContact CE-CD2 3.91Å; M90-W170 HydrophobicContact CE-CG 3.76Å; M90-W170 HydrophobicContact CE-CZ2 4.38Å; M90-W170 VanDerWaalsContact CE-NE1 3.32Å; M90-T173 HydrophobicContact CG-CG2 4.37Å; M90-T173 WeakPolarHBondContact CG-OG1 3.46Å |
| 91 | L | 90.4 | Very high | 90.9 | Very high | 116 Ų | 116 | 55.2 Ų | 55.2 | 61% | 0.607 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.6 | -41.2 | 174.2 | -74.7 | 172.2 | 0 | 0 | 0 | 111.3 | G87 L94 S95 | G87-L91 WeakPolarHBondContact O-CB 3.26Å; G87-L91 WeakPolarHBondContact O-CG 3.45Å; G87-L91 PolarHBondContact O-N 2.83Å; L91-L94 PolarHBondContact O-N 2.7Å; L91-S95 WeakPolarHBondContact O-CB 3.39Å; L91-S95 PolarHBondContact O-N 3.21Å; L91-S95 PolarHBondContact O-OG 3.44Å |
| 92 | H | 86.8 | Confident | 90.6 | Very high | 55 Ų | 55 | 52.1 Ų | 52.1 | 26% | 0.255 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.4 | -53 | 174.9 | 175.5 | -90.3 | 0 | 0 | 0 | 111.6 | L11 S88 Y89 M90 L94 S95 A96 | L11-H92 HydrophobicContact CD1-CB 4.01Å; S88-H92 WeakPolarHBondContact O-CB 3.19Å; S88-H92 PolarHBondContact O-N 3.31Å; Y89-H92 WeakPolarHBondContact O-CB 3.39Å; Y89-H92 PolarHBondContact O-N 3.2Å; M90-H92 VanDerWaalsContact C-N 3.31Å; M90-H92 PolarHBondContact O-N 2.65Å; H92-L94 VanDerWaalsContact C-N 3.29Å; H92-L94 PolarHBondContact O-N 3.15Å; H92-S95 PolarHBondContact O-N 2.98Å; H92-S95 PolarHBondContact O-OG 3.24Å; H92-A96 VanDerWaalsContact O-CB 3.32Å; H92-A96 WeakPolarHBondContact O-CB 3.46Å; H92-A96 PolarHBondContact O-N 3.09Å |
| 93 | I | 88.1 | Confident | 90.5 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 178.1 | -64.1 | 173.4 | 0 | 0 | 0 | 111.3 | Y89 M90 S95 A96 S97 G98 | Y89-I93 HydrophobicContact CD1-CD1 3.77Å; Y89-I93 HydrophobicContact CE1-CD1 3.15Å; Y89-I93 HydrophobicContact CE1-CG1 4.16Å; Y89-I93 HydrophobicContact CE2-CD1 4.46Å; Y89-I93 PolarHBondContact O-N 2.93Å; M90-I93 PolarHBondContact O-N 2.94Å; I93-S95 VanDerWaalsContact C-N 3.33Å; I93-S95 PolarHBondContact O-N 3.15Å; I93-A96 PolarHBondContact O-N 3.42Å; I93-S97 WeakPolarHBondContact O-CA 3.35Å; I93-S97 WeakPolarHBondContact O-CB 3.28Å; I93-S97 PolarHBondContact O-N 3.26Å; I93-G98 PolarHBondContact O-N 3.42Å |
| 94 | L | 89.4 | Confident | 90.2 | Very high | 56 Ų | 56 | 52.1 Ų | 52.1 | 29% | 0.293 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 178.3 | -178.7 | 62.3 | 0 | 0 | 0 | 111.7 | M90 L91 H92 G98 F99 W170 | M90-L94 VanDerWaalsContact O-CB 3.25Å; M90-L94 WeakPolarHBondContact O-CB 3.45Å; M90-L94 PolarHBondContact O-N 3.48Å; L91-L94 PolarHBondContact O-N 2.7Å; H92-L94 VanDerWaalsContact C-N 3.29Å; H92-L94 PolarHBondContact O-N 3.15Å; L94-G98 WeakPolarHBondContact O-CA 3.43Å; L94-G98 PolarHBondContact O-N 2.86Å; L94-G98 VanDerWaalsContact O-N 3.1Å; L94-F99 VanDerWaalsContact CD1-CA 3.49Å; L94-F99 HydrophobicContact CD1-CB 3.82Å; L94-F99 HydrophobicContact CD1-CD2 3.92Å; L94-F99 HydrophobicContact CD1-CG 4.39Å; L94-W170 HydrophobicContact CD2-CH2 4.44Å |
| 95 | S | 88.6 | Confident | 89.7 | Confident | 101 Ų | 101 | 49.1 Ų | 49.1 | 71% | 0.706 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -73.2 | -37.8 | 179.1 | 67.7 | 0 | 0 | 0 | 0 | 113.4 | L91 H92 I93 | L91-S95 WeakPolarHBondContact O-CB 3.39Å; L91-S95 PolarHBondContact O-N 3.21Å; L91-S95 PolarHBondContact O-OG 3.44Å; H92-S95 PolarHBondContact O-N 2.98Å; H92-S95 PolarHBondContact O-OG 3.24Å; I93-S95 VanDerWaalsContact C-N 3.33Å; I93-S95 PolarHBondContact O-N 3.15Å |
| 96 | A | 87.3 | Confident | 89.6 | Confident | 65 Ų | 65 | 50.8 Ų | 50.8 | 54% | 0.537 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -86 | -34.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | H92 I93 | H92-A96 VanDerWaalsContact O-CB 3.32Å; H92-A96 WeakPolarHBondContact O-CB 3.46Å; H92-A96 PolarHBondContact O-N 3.09Å; I93-A96 PolarHBondContact O-N 3.42Å |
| 97 | S | 85.9 | Confident | 89.2 | Confident | 63 Ų | 63 | 52.6 Ų | 52.6 | 44% | 0.441 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -122.9 | -4 | -171.5 | -54 | 0 | 0 | 0 | 0 | 113.8 | I93 R101 | I93-S97 WeakPolarHBondContact O-CA 3.35Å; I93-S97 WeakPolarHBondContact O-CB 3.28Å; I93-S97 PolarHBondContact O-N 3.26Å; S97-R101 WeakPolarHBondContact O-CB 3.35Å |
| 98 | G | 90.1 | Very high | 89.1 | Confident | 31 Ų | 31 | 52 Ų | 52 | 32% | 0.32 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | 80.9 | 170.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I93 L94 R100 R101 S102 | I93-G98 PolarHBondContact O-N 3.42Å; L94-G98 WeakPolarHBondContact O-CA 3.43Å; L94-G98 PolarHBondContact O-N 2.86Å; L94-G98 VanDerWaalsContact O-N 3.1Å; G98-R100 PolarHBondContact O-N 3.15Å; G98-R101 PolarHBondContact O-N 2.81Å; G98-S102 PolarHBondContact O-N 2.98Å |
| 99 | F | 91.1 | Very high | 89 | Confident | 102 Ų | 102 | 49.8 Ų | 49.8 | 45% | 0.447 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | -172.7 | -178.7 | -107.4 | 0 | 0 | 0 | 114.2 | L94 R101 S102 I103 W170 L220 W224 | L94-F99 VanDerWaalsContact CD1-CA 3.49Å; L94-F99 HydrophobicContact CD1-CB 3.82Å; L94-F99 HydrophobicContact CD1-CD2 3.92Å; L94-F99 HydrophobicContact CD1-CG 4.39Å; F99-R101 PolarHBondContact O-N 3.49Å; F99-S102 PolarHBondContact O-N 2.86Å; F99-S102 PolarHBondContact O-OG 2.74Å; F99-I103 HydrophobicContact CD1-CD1 4.17Å; F99-I103 HydrophobicContact CE1-CD1 3.56Å; F99-I103 HydrophobicContact CE2-CD1 3.93Å; F99-I103 HydrophobicContact CZ-CD1 3.42Å; F99-I103 VanDerWaalsContact CZ-CD1 3.42Å; F99-I103 HydrophobicContact CZ-CG1 4.49Å; F99-I103 PolarHBondContact O-N 2.84Å; F99-W170 HydrophobicContact CD2-CZ2 4.13Å; F99-W170 HydrophobicContact CE2-CH2 4.43Å; F99-W170 AromaticContact CE2-CZ2 3.98Å; F99-W170 HydrophobicContact CE2-CZ2 3.98Å; F99-L220 HydrophobicContact CE1-CD1 3.71Å; F99-L220 HydrophobicContact CZ-CD1 4.02Å; F99-W224 HydrophobicContact CD1-CH2 4.19Å; F99-W224 HydrophobicContact CE1-CH2 4.22Å |
| 100 | R | 89.8 | Confident | 88.9 | Confident | 93 Ų | 93 | 52.5 Ų | 52.5 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 179.4 | -178.2 | 169.8 | -174 | -150 | -8.1 | 111.4 | G98 I103 C104 W224 D229 | G98-R100 PolarHBondContact O-N 3.15Å; R100-I103 PolarHBondContact O-N 3.33Å; R100-C104 PolarHBondContact O-N 2.91Å; R100-W224 HydrophobicContact CB-CH2 3.91Å; R100-W224 HydrophobicContact CB-CZ2 4.01Å; R100-W224 HydrophobicContact CB-CZ3 4.27Å; R100-W224 HydrophobicContact CG-CD2 3.78Å; R100-W224 HydrophobicContact CG-CE3 3.91Å; R100-W224 HydrophobicContact CG-CG 4.42Å; R100-W224 HydrophobicContact CG-CH2 3.9Å; R100-W224 HydrophobicContact CG-CZ2 3.76Å; R100-W224 HydrophobicContact CG-CZ3 3.97Å; R100-W224 VanDerWaalsContact NE-CD1 3.3Å; R100-D229 IonicContact CZ-OD2 3.4Å; R100-D229 IonicContact NH1-OD2 3.53Å; R100-D229 IonicContact NH2-OD2 2.67Å; R100-D229 PolarHBondContact NH2-OD2 3.37Å |
| 101 | R | 88.3 | Confident | 88.6 | Confident | 167 Ų | 167 | 52.2 Ų | 52.2 | 63% | 0.63 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -67.3 | -41.7 | 178.1 | -160.3 | 115.7 | -176.8 | 160 | 1.6 | 110.8 | S97 G98 F99 I103 C104 D105 | S97-R101 WeakPolarHBondContact O-CB 3.35Å; G98-R101 PolarHBondContact O-N 2.81Å; F99-R101 PolarHBondContact O-N 3.49Å; R101-I103 PolarHBondContact O-N 3.25Å; R101-I103 VanDerWaalsContact O-N 3.13Å; R101-C104 PolarHBondContact O-N 3.48Å; R101-C104 VanDerWaalsContact O-N 3.09Å; R101-D105 WeakPolarHBondContact O-CB 3.34Å; R101-D105 PolarHBondContact O-N 3.33Å |
| 102 | S | 91.1 | Very high | 88.1 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 4% | 0.035 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.3 | -25 | 179.8 | 77.9 | 0 | 0 | 0 | 0 | 114.6 | G98 F99 W170 | G98-S102 PolarHBondContact O-N 2.98Å; F99-S102 PolarHBondContact O-N 2.86Å; F99-S102 PolarHBondContact O-OG 2.74Å; S102-W170 PolarHBondContact OG-NE1 2.95Å |
| 103 | I | 92.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -80.7 | -46 | 172.2 | -71.1 | 172.3 | 0 | 0 | 0 | 111.2 | F99 R100 R101 D105 A166 G167 V217 L220 V221 W224 | F99-I103 HydrophobicContact CD1-CD1 4.17Å; F99-I103 HydrophobicContact CE1-CD1 3.56Å; F99-I103 HydrophobicContact CE2-CD1 3.93Å; F99-I103 HydrophobicContact CZ-CD1 3.42Å; F99-I103 VanDerWaalsContact CZ-CD1 3.42Å; F99-I103 HydrophobicContact CZ-CG1 4.49Å; F99-I103 PolarHBondContact O-N 2.84Å; R100-I103 PolarHBondContact O-N 3.33Å; R101-I103 PolarHBondContact O-N 3.25Å; R101-I103 VanDerWaalsContact O-N 3.13Å; I103-D105 VanDerWaalsContact C-N 3.32Å; I103-D105 PolarHBondContact O-N 2.88Å; I103-A166 CarbonylContact O-C 3.54Å; I103-G167 WeakPolarHBondContact O-CA 3.38Å; I103-G167 PolarHBondContact O-N 3.47Å; I103-V217 HydrophobicContact CG2-CG1 4.28Å; I103-L220 HydrophobicContact CD1-CB 4.37Å; I103-L220 HydrophobicContact CD1-CD1 3.59Å; I103-V221 HydrophobicContact CG2-CG2 3.48Å; I103-V221 VanDerWaalsContact CG2-CG2 3.48Å; I103-W224 HydrophobicContact CB-CE3 4.44Å; I103-W224 HydrophobicContact CB-CZ3 3.79Å; I103-W224 HydrophobicContact CD1-CH2 4.04Å; I103-W224 HydrophobicContact CD1-CZ3 3.66Å; I103-W224 HydrophobicContact CG1-CZ3 4.27Å; I103-W224 HydrophobicContact CG2-CE3 4.15Å; I103-W224 HydrophobicContact CG2-CZ3 3.85Å |
| 104 | C | 90.4 | Very high | 88.2 | Confident | 14 Ų | 14 | 45.4 Ų | 45.4 | 10% | 0.095 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -81.8 | -9.7 | -174.8 | -69.6 | 0 | 0 | 0 | 0 | 114.7 | R100 R101 Q106 C230 | R100-C104 PolarHBondContact O-N 2.91Å; R101-C104 PolarHBondContact O-N 3.48Å; R101-C104 VanDerWaalsContact O-N 3.09Å; C104-Q106 PolarHBondContact O-N 3.43Å; C104-C230 WeakPolarHBondContact CA-SG 3.34Å; C104-C230 HydrophobicContact CB-CB 3.86Å; C104-C230 WeakPolarHBondContact CB-SG 3.41Å; C104-C230 WeakPolarHBondContact SG-CB 3.48Å; C104-C230 CovalentContact SG-SG 2.05Å; C104-C230 PolarHBondContact SG-SG 3.05Å |
| 105 | D | 84.6 | Confident | 88.3 | Confident | 45 Ų | 45 | 43.7 Ų | 43.7 | 24% | 0.241 | 24% | 0.243 | C | C | . | . | trans | -76.9 | 119.8 | -175.2 | -170.5 | 15 | 0 | 0 | 0 | 112.5 | R101 I103 S107 | R101-D105 WeakPolarHBondContact O-CB 3.34Å; R101-D105 PolarHBondContact O-N 3.33Å; I103-D105 VanDerWaalsContact C-N 3.32Å; I103-D105 PolarHBondContact O-N 2.88Å; D105-S107 VanDerWaalsContact C-N 3.31Å; D105-S107 WeakPolarHBondContact OD1-CB 3.34Å; D105-S107 PolarHBondContact OD1-N 2.99Å; D105-S107 PolarHBondContact OD1-OG 2.91Å; D105-S107 WeakPolarHBondContact OD2-CB 3.42Å; D105-S107 PolarHBondContact OD2-OG 3.15Å | ||
| 106 | Q | 89 | Confident | 88.6 | Confident | 56 Ų | 56 | 41.6 Ų | 41.6 | 26% | 0.262 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -85.7 | -4.1 | 173.5 | -61.9 | -177.6 | -55.5 | 0 | 0 | 112.3 | C104 F108 Y109 M164 | C104-Q106 PolarHBondContact O-N 3.43Å; Q106-F108 PolarHBondContact O-N 3.44Å; Q106-Y109 WeakPolarHBondContact O-CD2 3.22Å; Q106-Y109 PolarHBondContact O-N 2.89Å; Q106-Y109 VanDerWaalsContact O-N 3.09Å; Q106-M164 WeakPolarHBondContact CG-O 3.29Å; Q106-M164 PolarHBondContact NE2-O 3.31Å |
| 107 | S | 86.6 | Confident | 89 | Confident | 38 Ų | 38 | 39.1 Ų | 39.1 | 27% | 0.266 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -58.2 | -22.1 | 178.2 | 80.9 | 0 | 0 | 0 | 0 | 112.6 | Y89 D105 Y109 N110 G111 | Y89-S107 PolarHBondContact OH-O 3.45Å; Y89-S107 PolarHBondContact OH-OG 3.07Å; D105-S107 VanDerWaalsContact C-N 3.31Å; D105-S107 WeakPolarHBondContact OD1-CB 3.34Å; D105-S107 PolarHBondContact OD1-N 2.99Å; D105-S107 PolarHBondContact OD1-OG 2.91Å; D105-S107 WeakPolarHBondContact OD2-CB 3.42Å; D105-S107 PolarHBondContact OD2-OG 3.15Å; S107-Y109 PolarHBondContact O-N 3.37Å; S107-Y109 VanDerWaalsContact O-N 3.11Å; S107-N110 CarbonylContact O-C 3.57Å; S107-N110 PolarHBondContact O-N 2.91Å; S107-G111 WeakPolarHBondContact O-CA 3.27Å; S107-G111 PolarHBondContact O-N 2.93Å |
| 108 | F | 88.9 | Confident | 89.4 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 1% | 0.013 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -52.3 | -34.1 | 173.4 | -170.6 | -88 | 0 | 0 | 0 | 113.7 | T86 Y89 M90 Q106 N110 S114 A118 G169 M172 | T86-F108 HydrophobicContact CG2-CE2 4.24Å; T86-F108 HydrophobicContact CG2-CZ 3.68Å; Y89-F108 AromaticContact CD1-CD2 3.62Å; Y89-F108 HydrophobicContact CD1-CD2 3.62Å; Y89-F108 HydrophobicContact CD1-CE2 4.08Å; Y89-F108 HydrophobicContact CE1-CB 4.19Å; Y89-F108 AromaticContact CE1-CD2 3.77Å; Y89-F108 HydrophobicContact CE1-CD2 3.77Å; Y89-F108 HydrophobicContact CE1-CG 4.35Å; M90-F108 HydrophobicContact CG-CD2 4.34Å; M90-F108 HydrophobicContact CG-CE2 4.03Å; M90-F108 HydrophobicContact SD-CD2 3.62Å; M90-F108 HydrophobicContact SD-CE2 3.9Å; Q106-F108 PolarHBondContact O-N 3.44Å; F108-N110 VanDerWaalsContact C-N 3.35Å; F108-S114 CarbonylContact O-C 3.45Å; F108-S114 WeakPolarHBondContact O-CB 3.26Å; F108-S114 PolarHBondContact O-OG 2.89Å; F108-A118 HydrophobicContact CD1-CB 4.08Å; F108-A118 HydrophobicContact CE1-CB 3.79Å; F108-G169 VanDerWaalsContact CD2-CA 3.47Å; F108-G169 VanDerWaalsContact CG-CA 3.5Å; F108-M172 HydrophobicContact CD1-CE 3.5Å; F108-M172 VanDerWaalsContact CD1-CE 3.5Å; F108-M172 HydrophobicContact CE1-CB 4.3Å; F108-M172 HydrophobicContact CE1-CE 3.34Å; F108-M172 HydrophobicContact CE1-SD 3.81Å; F108-M172 HydrophobicContact CZ-CB 4.36Å; F108-M172 HydrophobicContact CZ-CE 4.45Å |
| 109 | Y | 88.8 | Confident | 89.7 | Confident | 5 Ų | 5 | 36.5 Ų | 36.5 | 2% | 0.02 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -78.5 | -19.4 | 179.3 | -63.2 | -85.2 | 0 | 0 | 0 | 113.4 | Q106 S107 K115 A118 Y161 M164 V165 G168 M172 | Q106-Y109 WeakPolarHBondContact O-CD2 3.22Å; Q106-Y109 PolarHBondContact O-N 2.89Å; Q106-Y109 VanDerWaalsContact O-N 3.09Å; S107-Y109 PolarHBondContact O-N 3.37Å; S107-Y109 VanDerWaalsContact O-N 3.11Å; Y109-K115 WeakPolarHBondContact O-CA 3.34Å; Y109-K115 WeakPolarHBondContact O-CB 3.23Å; Y109-A118 HydrophobicContact CD1-CB 4.22Å; Y109-Y161 AromaticContact CD1-CD2 3.82Å; Y109-Y161 HydrophobicContact CD1-CD2 3.82Å; Y109-Y161 AromaticContact CD1-CE2 3.65Å; Y109-Y161 HydrophobicContact CD1-CE2 3.65Å; Y109-Y161 AromaticContact CE1-CD2 3.61Å; Y109-Y161 HydrophobicContact CE1-CD2 3.61Å; Y109-Y161 AromaticContact CE1-CE2 3.94Å; Y109-Y161 HydrophobicContact CE1-CE2 3.94Å; Y109-Y161 HydrophobicContact CE1-CG 4.34Å; Y109-M164 HydrophobicContact CD1-CG 4.3Å; Y109-M164 HydrophobicContact CD2-CB 3.7Å; Y109-M164 HydrophobicContact CD2-CG 4.07Å; Y109-M164 VanDerWaalsContact CE2-C 3.41Å; Y109-M164 HydrophobicContact CE2-CB 3.91Å; Y109-M164 HydrophobicContact CG-CB 4.06Å; Y109-M164 HydrophobicContact CG-CG 3.9Å; Y109-V165 PolarHBondContact OH-N 2.96Å; Y109-V165 PolarHBondContact OH-O 3.28Å; Y109-G168 WeakPolarHBondContact OH-CA 3.37Å; Y109-M172 HydrophobicContact CD1-CE 4.38Å; Y109-M172 HydrophobicContact CE1-CE 3.58Å |
| 110 | N | 88.3 | Confident | 89.9 | Confident | 70 Ų | 70 | 32.4 Ų | 32.4 | 37% | 0.374 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -2 | -175 | -56.7 | -56.4 | 0 | 0 | 0 | 113.3 | E24 S107 F108 | E24-N110 HydrophobicContact CG-CB 4.44Å; E24-N110 WeakPolarHBondContact CG-OD1 3.16Å; S107-N110 CarbonylContact O-C 3.57Å; S107-N110 PolarHBondContact O-N 2.91Å; F108-N110 VanDerWaalsContact C-N 3.35Å |
| 111 | G | 84.6 | Confident | 90.3 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 4% | 0.041 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -66.2 | 147.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S107 V113 S114 K115 | S107-G111 WeakPolarHBondContact O-CA 3.27Å; S107-G111 PolarHBondContact O-N 2.93Å; G111-V113 PolarHBondContact O-N 2.96Å; G111-V113 VanDerWaalsContact O-N 3.08Å; G111-S114 PolarHBondContact O-N 3.22Å; G111-K115 VanDerWaalsContact O-CB 3.27Å; G111-K115 WeakPolarHBondContact O-CB 3.43Å; G111-K115 WeakPolarHBondContact O-CD 3.48Å; G111-K115 WeakPolarHBondContact O-CG 3.49Å; G111-K115 PolarHBondContact O-N 3.29Å |
| 112 | P | 81.1 | Confident | 90.6 | Very high | 33 Ų | 33 | 20.9 Ų | 20.9 | 21% | 0.214 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -23.3 | -169.5 | 28 | -37.6 | 0 | 0 | 0 | 113.7 | L11 R12 E19 T20 | L11-P112 HydrophobicContact CD2-CG 3.56Å; R12-P112 HydrophobicContact CG-CB 4.3Å; R12-P112 HydrophobicContact CG-CG 4.36Å; E19-P112 CarbonylContact C-O 3.43Å; T20-P112 HydrophobicContact CG2-CB 4.48Å |
| 113 | V | 85.7 | Confident | 90.8 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.018 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -50.4 | 173.6 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | L11 A15 R85 G111 K115 W117 | L11-V113 HydrophobicContact CD2-CG2 4.26Å; L11-V113 HydrophobicContact CG-CG2 4.4Å; A15-V113 HydrophobicContact CB-CG2 3.63Å; R85-V113 HydrophobicContact CB-CG1 4.04Å; G111-V113 PolarHBondContact O-N 2.96Å; G111-V113 VanDerWaalsContact O-N 3.08Å; V113-K115 PolarHBondContact O-N 3.34Å; V113-W117 VanDerWaalsContact O-CD1 3.3Å |
| 114 | S | 90.2 | Very high | 91 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -72 | -26.1 | -166.9 | 56 | 0 | 0 | 0 | 0 | 114.6 | Y89 F108 G111 F116 W117 A118 | Y89-S114 WeakPolarHBondContact CE1-OG 3.36Å; F108-S114 CarbonylContact O-C 3.45Å; F108-S114 WeakPolarHBondContact O-CB 3.26Å; F108-S114 PolarHBondContact O-OG 2.89Å; G111-S114 PolarHBondContact O-N 3.22Å; S114-F116 PolarHBondContact O-N 2.87Å; S114-W117 PolarHBondContact O-N 2.99Å; S114-W117 VanDerWaalsContact O-N 3.14Å; S114-A118 WeakPolarHBondContact O-CB 3.34Å; S114-A118 PolarHBondContact O-N 3.11Å |
| 115 | K | 92 | Very high | 91.3 | Very high | 19 Ų | 19 | 23.3 Ų | 23.3 | 8% | 0.083 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.7 | -45.7 | -174.4 | 65.5 | -172.2 | -172.5 | 160.1 | 0 | 114.2 | E19 T20 F22 E24 Y109 G111 V113 Y119 | E19-K115 WeakPolarHBondContact O-CE 3.35Å; T20-K115 WeakPolarHBondContact O-CE 3.27Å; T20-K115 PolarHBondContact O-NZ 2.94Å; F22-K115 HydrophobicContact CB-CG 4.49Å; F22-K115 HydrophobicContact CD1-CB 4.45Å; F22-K115 HydrophobicContact CD1-CG 4.06Å; F22-K115 VanDerWaalsContact O-CE 3.28Å; F22-K115 WeakPolarHBondContact O-CE 3.21Å; F22-K115 PolarHBondContact O-NZ 3.43Å; E24-K115 HydrophobicContact CB-CB 4.07Å; E24-K115 HydrophobicContact CB-CD 4.13Å; E24-K115 HydrophobicContact CG-CD 4.35Å; E24-K115 WeakPolarHBondContact OE2-CD 3.47Å; E24-K115 IonicContact OE2-NZ 3.42Å; E24-K115 PolarHBondContact OE2-NZ 3.36Å; Y109-K115 WeakPolarHBondContact O-CA 3.34Å; Y109-K115 WeakPolarHBondContact O-CB 3.23Å; G111-K115 VanDerWaalsContact O-CB 3.27Å; G111-K115 WeakPolarHBondContact O-CB 3.43Å; G111-K115 WeakPolarHBondContact O-CD 3.48Å; G111-K115 WeakPolarHBondContact O-CG 3.49Å; G111-K115 PolarHBondContact O-N 3.29Å; V113-K115 PolarHBondContact O-N 3.34Å; K115-Y119 PolarHBondContact O-N 3.22Å |
| 116 | F | 94.4 | Very high | 91.8 | Very high | 57 Ų | 57 | 22.5 Ų | 22.5 | 25% | 0.25 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.8 | -46.3 | 176.5 | 171.4 | -94.7 | 0 | 0 | 0 | 110.9 | F18 E19 F22 S114 A118 Y119 A120 | F18-F116 HydrophobicContact CD2-CD1 4.34Å; F18-F116 HydrophobicContact CD2-CD2 4.31Å; F18-F116 HydrophobicContact CD2-CE1 4.36Å; F18-F116 HydrophobicContact CD2-CE2 4.32Å; F18-F116 HydrophobicContact CD2-CG 4.31Å; F18-F116 HydrophobicContact CD2-CZ 4.34Å; F18-F116 AromaticContact CE2-CD1 3.7Å; F18-F116 HydrophobicContact CE2-CD1 3.7Å; F18-F116 HydrophobicContact CE2-CD2 4.45Å; F18-F116 AromaticContact CE2-CE1 3.66Å; F18-F116 HydrophobicContact CE2-CE1 3.66Å; F18-F116 HydrophobicContact CE2-CE2 4.41Å; F18-F116 HydrophobicContact CE2-CG 4.11Å; F18-F116 HydrophobicContact CE2-CZ 4.03Å; E19-F116 HydrophobicContact CG-CB 4.48Å; F22-F116 HydrophobicContact CB-CB 4.19Å; F22-F116 HydrophobicContact CB-CD2 4.49Å; F22-F116 HydrophobicContact CD1-CB 4.31Å; F22-F116 AromaticContact CD2-CD2 3.71Å; F22-F116 HydrophobicContact CD2-CD2 3.71Å; F22-F116 HydrophobicContact CE2-CD2 4.14Å; F22-F116 HydrophobicContact CG-CB 4.08Å; F22-F116 HydrophobicContact CG-CD2 4.1Å; S114-F116 PolarHBondContact O-N 2.87Å; F116-A118 VanDerWaalsContact C-N 3.32Å; F116-A118 PolarHBondContact O-N 3.33Å; F116-Y119 PolarHBondContact O-N 3.18Å; F116-A120 HydrophobicContact CE1-CB 4.27Å; F116-A120 HydrophobicContact CZ-CB 4.47Å; F116-A120 WeakPolarHBondContact O-CB 3.23Å; F116-A120 PolarHBondContact O-N 3.47Å |
| 117 | W | 95.5 | Very high | 92 | Very high | 14 Ų | 14 | 23 Ų | 23 | 5% | 0.053 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.7 | -30.5 | -177.3 | -68.9 | 103.6 | 0 | 0 | 0 | 113.3 | E19 F78 I81 G82 R85 T86 V113 S114 F121 Y176 | E19-W117 PolarHBondContact OE1-NE1 2.9Å; F78-W117 HydrophobicContact CD2-CZ3 4.12Å; F78-W117 HydrophobicContact CE2-CE3 4.42Å; F78-W117 AromaticContact CE2-CZ3 3.97Å; F78-W117 HydrophobicContact CE2-CZ3 3.97Å; I81-W117 HydrophobicContact CB-CH2 3.7Å; I81-W117 HydrophobicContact CB-CZ2 4.27Å; I81-W117 HydrophobicContact CB-CZ3 4.37Å; I81-W117 HydrophobicContact CG2-CH2 3.26Å; I81-W117 HydrophobicContact CG2-CZ2 3.34Å; I81-W117 HydrophobicContact CG2-CZ3 4.29Å; G82-W117 VanDerWaalsContact CA-CE3 3.44Å; R85-W117 HydrophobicContact CB-CD2 4.36Å; R85-W117 HydrophobicContact CB-CG 4.22Å; R85-W117 HydrophobicContact CG-CZ2 3.97Å; T86-W117 HydrophobicContact CG2-CB 3.61Å; T86-W117 HydrophobicContact CG2-CG 4.29Å; V113-W117 VanDerWaalsContact O-CD1 3.3Å; S114-W117 PolarHBondContact O-N 2.99Å; S114-W117 VanDerWaalsContact O-N 3.14Å; W117-F121 VanDerWaalsContact O-CB 3.27Å; W117-F121 WeakPolarHBondContact O-CB 3.44Å; W117-F121 PolarHBondContact O-N 2.7Å; W117-Y176 PolarHBondContact O-OH 2.94Å |
| 118 | A | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.5 | -45 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | F108 Y109 S114 F116 F121 V122 Y161 M172 | F108-A118 HydrophobicContact CD1-CB 4.08Å; F108-A118 HydrophobicContact CE1-CB 3.79Å; Y109-A118 HydrophobicContact CD1-CB 4.22Å; S114-A118 WeakPolarHBondContact O-CB 3.34Å; S114-A118 PolarHBondContact O-N 3.11Å; F116-A118 VanDerWaalsContact C-N 3.32Å; F116-A118 PolarHBondContact O-N 3.33Å; A118-F121 WeakPolarHBondContact O-CB 3.26Å; A118-F121 PolarHBondContact O-N 2.94Å; A118-V122 PolarHBondContact O-N 3.29Å; A118-Y161 HydrophobicContact CB-CE2 3.88Å; A118-M172 HydrophobicContact CB-CE 4.18Å; A118-M172 HydrophobicContact CB-SD 3.91Å |
| 119 | Y | 95.6 | Very high | 92.8 | Very high | 39 Ų | 39 | 22.3 Ų | 22.3 | 15% | 0.153 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.6 | -46.3 | 176.6 | -175 | -117.4 | 0 | 0 | 0 | 112 | F22 A27 W30 M31 K115 F116 F121 V122 L123 Y161 | F22-Y119 HydrophobicContact CE1-CD1 4.42Å; F22-Y119 HydrophobicContact CE1-CG 4.32Å; F22-Y119 AromaticContact CE2-CD1 3.86Å; F22-Y119 HydrophobicContact CE2-CD1 3.86Å; F22-Y119 HydrophobicContact CE2-CE1 4.43Å; F22-Y119 AromaticContact CZ-CD1 3.36Å; F22-Y119 HydrophobicContact CZ-CD1 3.36Å; F22-Y119 HydrophobicContact CZ-CE1 4.11Å; F22-Y119 AromaticContact CZ-CG 3.63Å; F22-Y119 HydrophobicContact CZ-CG 3.63Å; A27-Y119 HydrophobicContact CB-CD1 4.38Å; A27-Y119 HydrophobicContact CB-CD2 3.71Å; A27-Y119 HydrophobicContact CB-CE1 4.49Å; A27-Y119 HydrophobicContact CB-CE2 3.88Å; A27-Y119 HydrophobicContact CB-CG 3.96Å; W30-Y119 HydrophobicContact CE3-CE2 4.37Å; M31-Y119 HydrophobicContact CG-CD2 4.33Å; M31-Y119 HydrophobicContact CG-CE2 3.93Å; M31-Y119 HydrophobicContact SD-CE2 4.23Å; K115-Y119 PolarHBondContact O-N 3.22Å; F116-Y119 PolarHBondContact O-N 3.18Å; Y119-F121 PolarHBondContact O-N 3.48Å; Y119-V122 PolarHBondContact O-N 3.38Å; Y119-V122 VanDerWaalsContact O-N 3.15Å; Y119-L123 HydrophobicContact CD1-CD1 3.87Å; Y119-L123 HydrophobicContact CD1-CG 4.36Å; Y119-L123 HydrophobicContact CE1-CD1 3.31Å; Y119-L123 HydrophobicContact CE1-CG 4.03Å; Y119-L123 HydrophobicContact CE2-CD1 4.32Å; Y119-L123 HydrophobicContact CE2-CD2 4.34Å; Y119-L123 HydrophobicContact CE2-CG 4.22Å; Y119-L123 PolarHBondContact O-N 2.88Å; Y119-L123 VanDerWaalsContact O-N 3.07Å; Y119-Y161 HydrophobicContact CD2-CE1 4.17Å |
| 120 | A | 96.1 | Very high | 93 | Very high | 15 Ų | 15 | 23 Ų | 23 | 12% | 0.124 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.6 | -35.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F78 F116 L123 S124 | F78-A120 HydrophobicContact CE2-CB 3.96Å; F78-A120 HydrophobicContact CZ-CB 4.02Å; F116-A120 HydrophobicContact CE1-CB 4.27Å; F116-A120 HydrophobicContact CZ-CB 4.47Å; F116-A120 WeakPolarHBondContact O-CB 3.23Å; F116-A120 PolarHBondContact O-N 3.47Å; A120-L123 PolarHBondContact O-N 3.44Å; A120-S124 WeakPolarHBondContact O-CB 3.02Å; A120-S124 PolarHBondContact O-N 3.11Å |
| 121 | F | 96.9 | Very high | 93.4 | Very high | 16 Ų | 16 | 20.5 Ų | 20.5 | 7% | 0.07 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60 | -46.6 | 176 | 178.1 | -93.8 | 0 | 0 | 0 | 112.5 | W117 A118 Y119 S124 K125 M172 N175 Y176 | W117-F121 VanDerWaalsContact O-CB 3.27Å; W117-F121 WeakPolarHBondContact O-CB 3.44Å; W117-F121 PolarHBondContact O-N 2.7Å; A118-F121 WeakPolarHBondContact O-CB 3.26Å; A118-F121 PolarHBondContact O-N 2.94Å; Y119-F121 PolarHBondContact O-N 3.48Å; F121-S124 PolarHBondContact O-N 3.4Å; F121-S124 PolarHBondContact O-OG 3.02Å; F121-K125 VanDerWaalsContact CZ-CE 3.49Å; F121-M172 HydrophobicContact CB-CG 4.47Å; F121-M172 HydrophobicContact CB-SD 4.23Å; F121-M172 HydrophobicContact CD1-CB 4.42Å; F121-M172 HydrophobicContact CD1-CG 3.58Å; F121-M172 HydrophobicContact CD1-SD 3.99Å; F121-M172 HydrophobicContact CD2-CB 4.25Å; F121-M172 HydrophobicContact CD2-CG 4.27Å; F121-M172 HydrophobicContact CE1-CG 3.77Å; F121-M172 HydrophobicContact CE2-CB 4.39Å; F121-M172 HydrophobicContact CE2-CG 4.42Å; F121-M172 HydrophobicContact CG-CB 4.25Å; F121-M172 HydrophobicContact CG-CG 3.84Å; F121-M172 HydrophobicContact CG-SD 4.19Å; F121-M172 HydrophobicContact CZ-CG 4.19Å; F121-N175 HydrophobicContact CE2-CB 3.66Å; F121-N175 WeakPolarHBondContact CE2-OD1 3.26Å; F121-N175 HydrophobicContact CZ-CB 3.83Å; F121-Y176 VanDerWaalsContact CA-OH 3.28Å; F121-Y176 WeakPolarHBondContact CA-OH 3.47Å; F121-Y176 HydrophobicContact CB-CE2 3.86Å; F121-Y176 WeakPolarHBondContact CB-OH 3.48Å; F121-Y176 HydrophobicContact CD2-CD1 4.41Å; F121-Y176 AromaticContact CD2-CD2 3.99Å; F121-Y176 HydrophobicContact CD2-CD2 3.99Å; F121-Y176 HydrophobicContact CD2-CE1 4.13Å; F121-Y176 AromaticContact CD2-CE2 3.65Å; F121-Y176 HydrophobicContact CD2-CE2 3.65Å; F121-Y176 HydrophobicContact CD2-CG 4.36Å; F121-Y176 AromaticContact CD2-CZ 3.74Å; F121-Y176 HydrophobicContact CG-CE2 4.19Å; F121-Y176 PolarHBondContact N-OH 3.34Å; F121-Y176 VanDerWaalsContact N-OH 3.15Å |
| 122 | V | 95.6 | Very high | 93.9 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.018 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.7 | -40.8 | -177.2 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | M31 A118 Y119 S124 K125 W158 Y161 | M31-V122 HydrophobicContact CE-CG1 3.67Å; M31-V122 HydrophobicContact SD-CG1 4.13Å; A118-V122 PolarHBondContact O-N 3.29Å; Y119-V122 PolarHBondContact O-N 3.38Å; Y119-V122 VanDerWaalsContact O-N 3.15Å; V122-S124 VanDerWaalsContact C-N 3.33Å; V122-S124 PolarHBondContact O-N 2.83Å; V122-K125 PolarHBondContact O-N 2.95Å; V122-W158 HydrophobicContact CG1-CB 4.45Å; V122-W158 HydrophobicContact CG1-CD2 4.49Å; V122-W158 HydrophobicContact CG1-CG 3.9Å; V122-W158 PolarHBondContact O-NE1 3.22Å; V122-Y161 HydrophobicContact CB-CD2 4.46Å; V122-Y161 HydrophobicContact CG2-CD2 3.45Å; V122-Y161 VanDerWaalsContact CG2-CD2 3.45Å; V122-Y161 HydrophobicContact CG2-CE2 4.3Å; V122-Y161 HydrophobicContact CG2-CG 3.75Å |
| 123 | L | 95.3 | Very high | 94.5 | Very high | 58 Ų | 58 | 21.1 Ų | 21.1 | 30% | 0.304 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -65.4 | -36.2 | 174.7 | -67.8 | -169.8 | 0 | 0 | 0 | 112.2 | W30 Y119 A120 K125 A126 P127 W158 | W30-L123 HydrophobicContact CH2-CD2 4.48Å; W30-L123 HydrophobicContact CZ3-CD2 4.14Å; Y119-L123 HydrophobicContact CD1-CD1 3.87Å; Y119-L123 HydrophobicContact CD1-CG 4.36Å; Y119-L123 HydrophobicContact CE1-CD1 3.31Å; Y119-L123 HydrophobicContact CE1-CG 4.03Å; Y119-L123 HydrophobicContact CE2-CD1 4.32Å; Y119-L123 HydrophobicContact CE2-CD2 4.34Å; Y119-L123 HydrophobicContact CE2-CG 4.22Å; Y119-L123 PolarHBondContact O-N 2.88Å; Y119-L123 VanDerWaalsContact O-N 3.07Å; A120-L123 PolarHBondContact O-N 3.44Å; L123-K125 PolarHBondContact O-N 3.39Å; L123-K125 VanDerWaalsContact O-N 3.11Å; L123-A126 PolarHBondContact O-N 3.34Å; L123-A126 VanDerWaalsContact O-N 3.16Å; L123-P127 WeakPolarHBondContact O-CD 3.41Å; L123-W158 HydrophobicContact CD2-CZ2 4.09Å |
| 124 | S | 96.4 | Very high | 94.9 | Very high | 10 Ų | 10 | 22.5 Ų | 22.5 | 7% | 0.07 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.7 | -24 | -177.5 | 84.7 | 0 | 0 | 0 | 0 | 113.3 | F78 A120 F121 V122 A126 P127 E128 | F78-S124 VanDerWaalsContact CE1-CB 3.44Å; A120-S124 WeakPolarHBondContact O-CB 3.02Å; A120-S124 PolarHBondContact O-N 3.11Å; F121-S124 PolarHBondContact O-N 3.4Å; F121-S124 PolarHBondContact O-OG 3.02Å; V122-S124 VanDerWaalsContact C-N 3.33Å; V122-S124 PolarHBondContact O-N 2.83Å; S124-A126 PolarHBondContact O-N 3.18Å; S124-P127 VanDerWaalsContact O-CD 3.26Å; S124-P127 WeakPolarHBondContact O-CD 3.44Å; S124-E128 WeakPolarHBondContact O-CB 3.49Å; S124-E128 WeakPolarHBondContact O-CG 3.4Å; S124-E128 PolarHBondContact O-N 3.04Å; S124-E128 PolarHBondContact OG-OE1 3.4Å |
| 125 | K | 96.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 24 Ų | 24 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.8 | -28.1 | 179.1 | -57.9 | -42.9 | 176.9 | -165.5 | 0 | 113.3 | F121 V122 L123 E128 V153 L154 S157 N175 | F121-K125 VanDerWaalsContact CZ-CE 3.49Å; V122-K125 PolarHBondContact O-N 2.95Å; L123-K125 PolarHBondContact O-N 3.39Å; L123-K125 VanDerWaalsContact O-N 3.11Å; K125-E128 VanDerWaalsContact CD-OE2 3.27Å; K125-E128 WeakPolarHBondContact CD-OE2 3.21Å; K125-E128 IonicContact NZ-OE1 3.55Å; K125-E128 PolarHBondContact NZ-OE1 3.36Å; K125-E128 IonicContact NZ-OE2 2.91Å; K125-E128 PolarHBondContact NZ-OE2 3.11Å; K125-V153 HydrophobicContact CD-CG1 4.3Å; K125-V153 HydrophobicContact CD-CG2 4.46Å; K125-L154 HydrophobicContact CB-CB 4.37Å; K125-L154 HydrophobicContact CB-CD1 3.78Å; K125-S157 WeakPolarHBondContact CG-OG 3.48Å; K125-N175 PolarHBondContact NZ-OD1 3.45Å |
| 126 | A | 94.6 | Very high | 95.3 | Very high | 29 Ų | 29 | 23.7 Ų | 23.7 | 24% | 0.24 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -74.2 | -49.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L123 S124 E128 L129 L154 | L123-A126 PolarHBondContact O-N 3.34Å; L123-A126 VanDerWaalsContact O-N 3.16Å; S124-A126 PolarHBondContact O-N 3.18Å; A126-E128 VanDerWaalsContact C-N 3.31Å; A126-E128 PolarHBondContact O-N 2.6Å; A126-L129 VanDerWaalsContact O-CB 3.24Å; A126-L129 WeakPolarHBondContact O-CB 3.31Å; A126-L129 VanDerWaalsContact O-CG 3.22Å; A126-L129 WeakPolarHBondContact O-CG 3.2Å; A126-L129 PolarHBondContact O-N 2.87Å; A126-L154 HydrophobicContact CB-CD1 4.18Å |
| 127 | P | 94.8 | Very high | 95.3 | Very high | 67 Ų | 67 | 23.7 Ų | 23.7 | 44% | 0.435 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -55 | -42.1 | 169 | -29.6 | 36 | 0 | 0 | 0 | 113.5 | W71 L123 S124 L129 G130 | W71-P127 HydrophobicContact CH2-CB 4.14Å; W71-P127 VanDerWaalsContact CH2-O 3.25Å; W71-P127 WeakPolarHBondContact CH2-O 2.95Å; W71-P127 WeakPolarHBondContact CZ2-O 3.26Å; L123-P127 WeakPolarHBondContact O-CD 3.41Å; S124-P127 VanDerWaalsContact O-CD 3.26Å; S124-P127 WeakPolarHBondContact O-CD 3.44Å; P127-L129 PolarHBondContact O-N 2.99Å; P127-G130 PolarHBondContact O-N 2.64Å |
| 128 | E | 96.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.5 | -22.8 | 179.9 | -75.8 | 170.4 | -145.8 | 0 | 0 | 113.4 | L75 S124 K125 A126 G130 D131 H150 H179 | L75-E128 HydrophobicContact CD2-CG 4.46Å; S124-E128 WeakPolarHBondContact O-CB 3.49Å; S124-E128 WeakPolarHBondContact O-CG 3.4Å; S124-E128 PolarHBondContact O-N 3.04Å; S124-E128 PolarHBondContact OG-OE1 3.4Å; K125-E128 VanDerWaalsContact CD-OE2 3.27Å; K125-E128 WeakPolarHBondContact CD-OE2 3.21Å; K125-E128 IonicContact NZ-OE1 3.55Å; K125-E128 PolarHBondContact NZ-OE1 3.36Å; K125-E128 IonicContact NZ-OE2 2.91Å; K125-E128 PolarHBondContact NZ-OE2 3.11Å; A126-E128 VanDerWaalsContact C-N 3.31Å; A126-E128 PolarHBondContact O-N 2.6Å; E128-G130 PolarHBondContact O-N 3.42Å; E128-G130 VanDerWaalsContact O-N 3.14Å; E128-D131 WeakPolarHBondContact O-CB 3.39Å; E128-D131 PolarHBondContact O-N 2.84Å; E128-D131 VanDerWaalsContact O-N 3.07Å; E128-H150 PolarHBondContact O-CE1 3.21Å; E128-H179 IonicContact OE1-ND1 3.89Å; E128-H179 IonicContact OE2-CE1 2.96Å; E128-H179 PolarHBondContact OE2-CE1 2.77Å; E128-H179 VanDerWaalsContact OE2-CE1 3.29Å; E128-H179 IonicContact OE2-ND1 3.78Å |
| 129 | L | 94.4 | Very high | 95.1 | Very high | 24 Ų | 24 | 31.5 Ų | 31.5 | 13% | 0.126 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -24.5 | 170.9 | -58.9 | 179.7 | 0 | 0 | 0 | 113.3 | Y45 A126 P127 D131 T132 H150 L154 | Y45-L129 HydrophobicContact CD1-CD2 4.48Å; Y45-L129 HydrophobicContact CD2-CB 3.75Å; Y45-L129 HydrophobicContact CD2-CD1 4.15Å; Y45-L129 HydrophobicContact CD2-CD2 3.81Å; Y45-L129 HydrophobicContact CD2-CG 4.11Å; Y45-L129 HydrophobicContact CE2-CB 4.02Å; Y45-L129 HydrophobicContact CE2-CD2 3.94Å; Y45-L129 HydrophobicContact CG-CD1 4.28Å; Y45-L129 HydrophobicContact CG-CD2 4.06Å; A126-L129 VanDerWaalsContact O-CB 3.24Å; A126-L129 WeakPolarHBondContact O-CB 3.31Å; A126-L129 VanDerWaalsContact O-CG 3.22Å; A126-L129 WeakPolarHBondContact O-CG 3.2Å; A126-L129 PolarHBondContact O-N 2.87Å; P127-L129 PolarHBondContact O-N 2.99Å; L129-D131 PolarHBondContact O-N 2.76Å; L129-T132 PolarHBondContact O-N 3.15Å; L129-H150 HydrophobicContact CD2-CB 3.87Å; L129-L154 HydrophobicContact CD1-CD2 4.01Å |
| 130 | G | 94.2 | Very high | 95 | Very high | 20 Ų | 20 | 34.3 Ų | 34.3 | 21% | 0.206 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.6 | -24.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | P127 E128 T132 A133 F134 | P127-G130 PolarHBondContact O-N 2.64Å; E128-G130 PolarHBondContact O-N 3.42Å; E128-G130 VanDerWaalsContact O-N 3.14Å; G130-T132 PolarHBondContact O-N 2.99Å; G130-A133 WeakPolarHBondContact O-CB 3.4Å; G130-A133 PolarHBondContact O-N 2.75Å; G130-F134 VanDerWaalsContact O-CD2 3.26Å; G130-F134 WeakPolarHBondContact O-CD2 3.12Å; G130-F134 PolarHBondContact O-N 3.44Å |
| 131 | D | 95 | Very high | 94.8 | Very high | 17 Ų | 17 | 42.2 Ų | 42.2 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.9 | -41.3 | 175.4 | -72.5 | -14.8 | 0 | 0 | 0 | 111.3 | W71 E128 L129 A133 F134 V135 H150 Y183 | W71-D131 PolarHBondContact NE1-OD1 3.27Å; E128-D131 WeakPolarHBondContact O-CB 3.39Å; E128-D131 PolarHBondContact O-N 2.84Å; E128-D131 VanDerWaalsContact O-N 3.07Å; L129-D131 PolarHBondContact O-N 2.76Å; D131-A133 VanDerWaalsContact C-N 3.33Å; D131-A133 PolarHBondContact O-N 3.19Å; D131-F134 PolarHBondContact O-N 3.04Å; D131-V135 PolarHBondContact O-N 2.9Å; D131-H150 IonicContact OD2-CE1 3.88Å; D131-Y183 WeakPolarHBondContact OD2-CE1 3.27Å; D131-Y183 PolarHBondContact OD2-OH 2.93Å |
| 132 | T | 95.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.9 | -31.7 | -179.6 | -45.9 | 0 | 0 | 0 | 0 | 112 | Y45 V49 L129 G130 F134 V135 V136 L142 H146 | Y45-T132 HydrophobicContact CE2-CG2 4.16Å; Y45-T132 WeakPolarHBondContact OH-CB 3.28Å; Y45-T132 WeakPolarHBondContact OH-CG2 2.89Å; Y45-T132 PolarHBondContact OH-OG1 3.33Å; V49-T132 HydrophobicContact CG1-CG2 4.16Å; V49-T132 HydrophobicContact CG2-CG2 3.55Å; L129-T132 PolarHBondContact O-N 3.15Å; G130-T132 PolarHBondContact O-N 2.99Å; T132-F134 VanDerWaalsContact C-N 3.32Å; T132-F134 PolarHBondContact O-N 2.87Å; T132-V135 WeakPolarHBondContact O-CB 3.22Å; T132-V135 PolarHBondContact O-N 3.2Å; T132-V136 HydrophobicContact CG2-CG2 4.45Å; T132-V136 WeakPolarHBondContact O-CG2 3.49Å; T132-V136 PolarHBondContact O-N 3.29Å; T132-L142 HydrophobicContact CG2-CD1 3.6Å; T132-L142 HydrophobicContact CG2-CD2 4.25Å; T132-H146 PolarHBondContact OG1-CD2 2.92Å; T132-H146 VanDerWaalsContact OG1-CD2 3.29Å; T132-H146 PolarHBondContact OG1-NE2 2.81Å |
| 133 | A | 94.4 | Very high | 94.5 | Very high | 49 Ų | 49 | 45.8 Ų | 45.8 | 41% | 0.405 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.2 | -44 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | G130 D131 V135 V136 L137 | G130-A133 WeakPolarHBondContact O-CB 3.4Å; G130-A133 PolarHBondContact O-N 2.75Å; D131-A133 VanDerWaalsContact C-N 3.33Å; D131-A133 PolarHBondContact O-N 3.19Å; A133-V135 VanDerWaalsContact C-N 3.34Å; A133-V135 PolarHBondContact O-N 3.4Å; A133-V136 PolarHBondContact O-N 3.34Å; A133-L137 VanDerWaalsContact O-CB 3.32Å; A133-L137 WeakPolarHBondContact O-CB 3.38Å; A133-L137 WeakPolarHBondContact O-CG 3.47Å; A133-L137 PolarHBondContact O-N 2.83Å |
| 134 | F | 94.8 | Very high | 94.4 | Very high | 32 Ų | 32 | 48.3 Ų | 48.3 | 14% | 0.14 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.5 | -38.7 | 174.6 | -71.4 | -72.7 | 0 | 0 | 0 | 112.8 | L64 P67 L68 W71 G130 D131 T132 R138 | L64-F134 HydrophobicContact CB-CD1 4.09Å; L64-F134 HydrophobicContact CB-CE1 4.23Å; L64-F134 HydrophobicContact CD1-CD1 4.07Å; L64-F134 HydrophobicContact CD1-CE1 4.42Å; P67-F134 HydrophobicContact CB-CE1 3.97Å; P67-F134 HydrophobicContact CB-CZ 4.34Å; L68-F134 HydrophobicContact CB-CD1 4.15Å; L68-F134 HydrophobicContact CB-CE1 4.26Å; L68-F134 HydrophobicContact CD1-CB 4.04Å; L68-F134 HydrophobicContact CD1-CD1 4.18Å; L68-F134 HydrophobicContact CD1-CD2 4.08Å; L68-F134 HydrophobicContact CD1-CG 3.84Å; W71-F134 HydrophobicContact CB-CE2 3.89Å; W71-F134 HydrophobicContact CB-CZ 4.01Å; W71-F134 AromaticContact CD1-CE2 3.65Å; W71-F134 AromaticContact CD2-CE2 3.83Å; W71-F134 HydrophobicContact CD2-CE2 3.83Å; W71-F134 HydrophobicContact CG-CD2 4.36Å; W71-F134 AromaticContact CG-CE2 3.5Å; W71-F134 HydrophobicContact CG-CE2 3.5Å; W71-F134 VanDerWaalsContact CG-CE2 3.5Å; W71-F134 HydrophobicContact CG-CZ 4.11Å; G130-F134 VanDerWaalsContact O-CD2 3.26Å; G130-F134 WeakPolarHBondContact O-CD2 3.12Å; G130-F134 PolarHBondContact O-N 3.44Å; D131-F134 PolarHBondContact O-N 3.04Å; T132-F134 VanDerWaalsContact C-N 3.32Å; T132-F134 PolarHBondContact O-N 2.87Å; F134-R138 WeakPolarHBondContact O-CB 3.27Å; F134-R138 WeakPolarHBondContact O-CG 3.18Å; F134-R138 PolarHBondContact O-N 3.42Å |
| 135 | V | 94.8 | Very high | 94.3 | Very high | 32 Ų | 32 | 48.9 Ų | 48.9 | 19% | 0.194 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.2 | -48.8 | 175.9 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | D131 T132 A133 K139 Q140 L142 | D131-V135 PolarHBondContact O-N 2.9Å; T132-V135 WeakPolarHBondContact O-CB 3.22Å; T132-V135 PolarHBondContact O-N 3.2Å; A133-V135 VanDerWaalsContact C-N 3.34Å; A133-V135 PolarHBondContact O-N 3.4Å; V135-K139 PolarHBondContact O-N 3.43Å; V135-Q140 HydrophobicContact CG1-CB 3.97Å; V135-Q140 PolarHBondContact O-N 2.83Å; V135-L142 HydrophobicContact CG1-CB 4.1Å; V135-L142 HydrophobicContact CG1-CD1 4.01Å |
| 136 | V | 95.6 | Very high | 94.2 | Very high | 12 Ų | 12 | 51.1 Ų | 51.1 | 7% | 0.073 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.8 | -50.1 | -178.9 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | V49 G52 Q53 M56 T132 A133 R138 K139 | V49-V136 HydrophobicContact CG1-CG2 4.39Å; G52-V136 VanDerWaalsContact C-CG1 3.4Å; Q53-V136 HydrophobicContact CG-CG1 4.13Å; Q53-V136 HydrophobicContact CG-CG2 4Å; M56-V136 HydrophobicContact CG-CG1 4.41Å; T132-V136 HydrophobicContact CG2-CG2 4.45Å; T132-V136 WeakPolarHBondContact O-CG2 3.49Å; T132-V136 PolarHBondContact O-N 3.29Å; A133-V136 PolarHBondContact O-N 3.34Å; V136-R138 VanDerWaalsContact C-N 3.28Å; V136-R138 PolarHBondContact O-N 3.22Å; V136-K139 PolarHBondContact O-N 3.27Å |
| 137 | L | 94.6 | Very high | 94.2 | Very high | 58 Ų | 58 | 52.8 Ų | 52.8 | 30% | 0.304 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.3 | -28.4 | -177.8 | -67.5 | 175.5 | 0 | 0 | 0 | 113.1 | M56 L62 L64 A133 K139 | M56-L137 WeakPolarHBondContact CE-O 3.38Å; M56-L137 HydrophobicContact CG-CD2 4.33Å; M56-L137 HydrophobicContact SD-CD2 4.13Å; L62-L137 HydrophobicContact CD1-CB 4.29Å; L62-L137 HydrophobicContact CD1-CD2 4.15Å; L62-L137 PolarHBondContact N-O 3.31Å; L62-L137 VanDerWaalsContact N-O 3.13Å; L64-L137 HydrophobicContact CD1-CB 3.61Å; L64-L137 HydrophobicContact CD1-CD1 3.74Å; L64-L137 HydrophobicContact CD1-CG 4.34Å; A133-L137 VanDerWaalsContact O-CB 3.32Å; A133-L137 WeakPolarHBondContact O-CB 3.38Å; A133-L137 WeakPolarHBondContact O-CG 3.47Å; A133-L137 PolarHBondContact O-N 2.83Å; L137-K139 VanDerWaalsContact C-N 3.31Å |
| 138 | R | 94.5 | Very high | 94.3 | Very high | 83 Ų | 83 | 52.4 Ų | 52.4 | 31% | 0.313 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 6.3 | 174.8 | -63.8 | 178.7 | 64.8 | -137.9 | -2.4 | 113.4 | L64 F134 V136 Q140 | L64-R138 HydrophobicContact CB-CG 4.4Å; L64-R138 HydrophobicContact CD1-CG 4.49Å; F134-R138 WeakPolarHBondContact O-CB 3.27Å; F134-R138 WeakPolarHBondContact O-CG 3.18Å; F134-R138 PolarHBondContact O-N 3.42Å; V136-R138 VanDerWaalsContact C-N 3.28Å; V136-R138 PolarHBondContact O-N 3.22Å; R138-Q140 HydrophobicContact CB-CG 3.98Å; R138-Q140 PolarHBondContact O-N 3.37Å; R138-Q140 PolarHBondContact O-NE2 2.84Å; R138-Q140 VanDerWaalsContact O-NE2 3.09Å |
| 139 | K | 92.7 | Very high | 94.3 | Very high | 94 Ų | 94 | 53.3 Ų | 53.3 | 41% | 0.409 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 37.2 | -176.6 | -65.2 | -170.6 | 153.4 | -168.5 | 0 | 113.3 | M56 K57 R59 K61 V135 V136 L137 | M56-K139 WeakPolarHBondContact O-CE 3.47Å; M56-K139 PolarHBondContact O-NZ 3.24Å; K57-K139 PolarHBondContact O-NZ 3.14Å; R59-K139 WeakPolarHBondContact O-CE 3.48Å; R59-K139 PolarHBondContact O-NZ 3.42Å; K61-K139 HydrophobicContact CB-CB 4.28Å; K61-K139 HydrophobicContact CB-CD 4.31Å; K61-K139 HydrophobicContact CB-CG 4.28Å; V135-K139 PolarHBondContact O-N 3.43Å; V136-K139 PolarHBondContact O-N 3.27Å; L137-K139 VanDerWaalsContact C-N 3.31Å |
| 140 | Q | 92.5 | Very high | 94.4 | Very high | 99 Ų | 99 | 52.5 Ų | 52.5 | 46% | 0.463 | 25% | 0.253 | S | S | . | . | trans | -81.7 | 155.1 | 174.4 | -61.9 | -56.6 | -65.7 | 0 | 0 | 110 | V135 R138 L142 | V135-Q140 HydrophobicContact CG1-CB 3.97Å; V135-Q140 PolarHBondContact O-N 2.83Å; R138-Q140 HydrophobicContact CB-CG 3.98Å; R138-Q140 PolarHBondContact O-N 3.37Å; R138-Q140 PolarHBondContact O-NE2 2.84Å; R138-Q140 VanDerWaalsContact O-NE2 3.09Å; Q140-L142 PolarHBondContact O-N 2.88Å | ||
| 141 | K | 91.4 | Very high | 94.5 | Very high | 181 Ų | 181 | 52.9 Ų | 52.9 | 79% | 0.787 | 25% | 0.25 | S | C | * | . | trans | -65.9 | 110.9 | 177.6 | -177.5 | 178 | 179.4 | 178.9 | 0 | 109.4 | L143 | K141-L143 HydrophobicContact CD-CD2 4.23Å; K141-L143 HydrophobicContact CG-CD2 4.3Å; K141-L143 PolarHBondContact O-N 3.25Å | ||
| 142 | L | 92.6 | Very high | 94.6 | Very high | 26 Ų | 26 | 53.6 Ų | 53.6 | 14% | 0.136 | 25% | 0.254 | C | S | . | . | trans | -74.7 | 116.2 | 172.5 | -178 | 62.1 | 0 | 0 | 0 | 109.7 | V49 T132 V135 Q140 H146 W147 | V49-L142 HydrophobicContact CG1-CD2 3.32Å; T132-L142 HydrophobicContact CG2-CD1 3.6Å; T132-L142 HydrophobicContact CG2-CD2 4.25Å; V135-L142 HydrophobicContact CG1-CB 4.1Å; V135-L142 HydrophobicContact CG1-CD1 4.01Å; Q140-L142 PolarHBondContact O-N 2.88Å; L142-H146 HydrophobicContact CD1-CB 4.43Å; L142-W147 HydrophobicContact CD1-CB 4.44Å; L142-W147 HydrophobicContact CD2-CB 4.48Å | ||
| 143 | L | 93.6 | Very high | 94.7 | Very high | 67 Ų | 67 | 54.2 Ų | 54.2 | 35% | 0.351 | 26% | 0.258 | S | S | . | . | trans | -83.2 | 143.7 | 178.3 | -60.1 | 176.8 | 0 | 0 | 0 | 110.5 | K141 L145 H146 W147 F254 | K141-L143 HydrophobicContact CD-CD2 4.23Å; K141-L143 HydrophobicContact CG-CD2 4.3Å; K141-L143 PolarHBondContact O-N 3.25Å; L143-L145 VanDerWaalsContact C-N 3.27Å; L143-L145 PolarHBondContact O-N 3.46Å; L143-H146 HydrophobicContact CB-CB 4.38Å; L143-H146 WeakPolarHBondContact O-CB 3.43Å; L143-H146 PolarHBondContact O-N 2.8Å; L143-H146 VanDerWaalsContact O-N 3.07Å; L143-W147 VanDerWaalsContact O-CD1 3.29Å; L143-W147 PolarHBondContact O-N 3.41Å; L143-F254 HydrophobicContact CD1-CD2 4.28Å; L143-F254 HydrophobicContact CD1-CE2 3.91Å | ||
| 144 | F | 93.7 | Very high | 94.8 | Very high | 111 Ų | 111 | 51.9 Ų | 51.9 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -52.1 | -48.5 | 172.3 | 173.7 | -104.1 | 0 | 0 | 0 | 111.7 | H146 W147 Y148 L250 | F144-H146 PolarHBondContact O-N 3.3Å; F144-H146 VanDerWaalsContact O-N 3.15Å; F144-W147 AromaticContact CD2-CE2 3.74Å; F144-W147 HydrophobicContact CD2-CH2 4.13Å; F144-W147 AromaticContact CD2-CZ2 3.36Å; F144-W147 HydrophobicContact CD2-CZ2 3.36Å; F144-W147 AromaticContact CD2-NE1 3.96Å; F144-W147 AromaticContact CE2-CH2 3.79Å; F144-W147 HydrophobicContact CE2-CH2 3.79Å; F144-W147 AromaticContact CE2-CZ2 3.5Å; F144-W147 HydrophobicContact CE2-CZ2 3.5Å; F144-W147 PolarHBondContact O-N 2.89Å; F144-Y148 HydrophobicContact CE1-CG 4.21Å; F144-Y148 HydrophobicContact CZ-CD2 4.01Å; F144-Y148 HydrophobicContact CZ-CG 4Å; F144-Y148 WeakPolarHBondContact O-CB 3.36Å; F144-Y148 PolarHBondContact O-N 3.23Å; F144-L250 HydrophobicContact CD1-CD2 4.11Å; F144-L250 HydrophobicContact CE1-CD1 4.19Å; F144-L250 HydrophobicContact CE1-CD2 4.12Å |
| 145 | L | 94.1 | Very high | 94.9 | Very high | 22 Ų | 22 | 52.2 Ų | 52.2 | 12% | 0.115 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -51.4 | -39.8 | 177.8 | 172.2 | 64.5 | 0 | 0 | 0 | 112.5 | L143 H149 L250 F251 F254 | L143-L145 VanDerWaalsContact C-N 3.27Å; L143-L145 PolarHBondContact O-N 3.46Å; L145-H149 WeakPolarHBondContact O-CB 3.32Å; L145-H149 PolarHBondContact O-N 3.03Å; L145-L250 HydrophobicContact CD1-CB 3.45Å; L145-L250 VanDerWaalsContact CD1-CB 3.45Å; L145-L250 HydrophobicContact CD1-CD1 3.99Å; L145-L250 HydrophobicContact CD1-CG 4.34Å; L145-L250 HydrophobicContact CG-CB 4.44Å; L145-F251 HydrophobicContact CD1-CD2 3.78Å; L145-F251 HydrophobicContact CD1-CE2 3.66Å; L145-F251 HydrophobicContact CD1-CG 4.47Å; L145-F251 HydrophobicContact CD1-CZ 4.26Å; L145-F251 HydrophobicContact CD2-CD1 4.04Å; L145-F251 HydrophobicContact CD2-CD2 4.23Å; L145-F251 HydrophobicContact CD2-CE1 4Å; L145-F251 HydrophobicContact CD2-CE2 4.2Å; L145-F251 HydrophobicContact CD2-CG 4.16Å; L145-F251 HydrophobicContact CD2-CZ 4.08Å; L145-F251 HydrophobicContact CG-CE2 4.3Å; L145-F251 HydrophobicContact CG-CZ 4.41Å; L145-F254 HydrophobicContact CD2-CB 4.18Å; L145-F254 HydrophobicContact CD2-CG 4.42Å |
| 146 | H | 94.8 | Very high | 94.9 | Very high | 49 Ų | 49 | 51.8 Ų | 51.8 | 23% | 0.227 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.8 | -57.6 | -174.7 | -178 | 82.6 | 0 | 0 | 0 | 111.5 | T132 L142 L143 F144 Y148 H149 H150 | T132-H146 PolarHBondContact OG1-CD2 2.92Å; T132-H146 VanDerWaalsContact OG1-CD2 3.29Å; T132-H146 PolarHBondContact OG1-NE2 2.81Å; L142-H146 HydrophobicContact CD1-CB 4.43Å; L143-H146 HydrophobicContact CB-CB 4.38Å; L143-H146 WeakPolarHBondContact O-CB 3.43Å; L143-H146 PolarHBondContact O-N 2.8Å; L143-H146 VanDerWaalsContact O-N 3.07Å; F144-H146 PolarHBondContact O-N 3.3Å; F144-H146 VanDerWaalsContact O-N 3.15Å; H146-Y148 PolarHBondContact O-N 2.98Å; H146-H149 PolarHBondContact O-N 3.32Å; H146-H150 AromaticContact CD2-CD2 3.74Å; H146-H150 AromaticContact CE1-CD2 3.48Å; H146-H150 PolarHBondContact CE1-CD2 3.05Å; H146-H150 VanDerWaalsContact CE1-CD2 3.48Å; H146-H150 AromaticContact CE1-NE2 3.07Å; H146-H150 PolarHBondContact CE1-NE2 3.18Å; H146-H150 AromaticContact CG-CD2 3.93Å; H146-H150 AromaticContact ND1-CD2 3.77Å; H146-H150 AromaticContact ND1-NE2 3.56Å; H146-H150 AromaticContact NE2-CD2 3.5Å; H146-H150 AromaticContact NE2-NE2 3.51Å; H146-H150 PolarHBondContact O-CD2 3.19Å; H146-H150 PolarHBondContact O-N 3.29Å |
| 147 | W | 95.1 | Very high | 94.9 | Very high | 64 Ų | 64 | 51.4 Ų | 51.4 | 24% | 0.242 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.6 | -32.6 | -175.8 | 69.3 | -99.6 | 0 | 0 | 0 | 112.7 | Y45 F50 L142 L143 F144 I151 | Y45-W147 HydrophobicContact CE1-CB 4.19Å; Y45-W147 VanDerWaalsContact OH-CA 3.3Å; Y45-W147 WeakPolarHBondContact OH-CA 3.44Å; Y45-W147 WeakPolarHBondContact OH-CB 3.47Å; F50-W147 HydrophobicContact CZ-CZ2 4.49Å; L142-W147 HydrophobicContact CD1-CB 4.44Å; L142-W147 HydrophobicContact CD2-CB 4.48Å; L143-W147 VanDerWaalsContact O-CD1 3.29Å; L143-W147 PolarHBondContact O-N 3.41Å; F144-W147 AromaticContact CD2-CE2 3.74Å; F144-W147 HydrophobicContact CD2-CH2 4.13Å; F144-W147 AromaticContact CD2-CZ2 3.36Å; F144-W147 HydrophobicContact CD2-CZ2 3.36Å; F144-W147 AromaticContact CD2-NE1 3.96Å; F144-W147 AromaticContact CE2-CH2 3.79Å; F144-W147 HydrophobicContact CE2-CH2 3.79Å; F144-W147 AromaticContact CE2-CZ2 3.5Å; F144-W147 HydrophobicContact CE2-CZ2 3.5Å; F144-W147 PolarHBondContact O-N 2.89Å; W147-I151 HydrophobicContact CE3-CD1 3.82Å; W147-I151 HydrophobicContact CZ3-CD1 4.1Å; W147-I151 WeakPolarHBondContact O-CG1 3.43Å; W147-I151 PolarHBondContact O-N 2.99Å |
| 148 | Y | 96.3 | Very high | 95 | Very high | 59 Ų | 59 | 49 Ų | 49 | 23% | 0.231 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.2 | -53.5 | 172.2 | 171 | -104 | 0 | 0 | 0 | 110.1 | F144 H146 H150 I151 T152 S246 Y247 L250 | F144-Y148 HydrophobicContact CE1-CG 4.21Å; F144-Y148 HydrophobicContact CZ-CD2 4.01Å; F144-Y148 HydrophobicContact CZ-CG 4Å; F144-Y148 WeakPolarHBondContact O-CB 3.36Å; F144-Y148 PolarHBondContact O-N 3.23Å; H146-Y148 PolarHBondContact O-N 2.98Å; Y148-H150 PolarHBondContact O-N 2.98Å; Y148-I151 PolarHBondContact O-N 3.43Å; Y148-T152 HydrophobicContact CD2-CG2 4.17Å; Y148-T152 HydrophobicContact CE2-CG2 3.74Å; Y148-T152 PolarHBondContact O-N 3.34Å; Y148-T152 PolarHBondContact O-OG1 2.91Å; Y148-S246 WeakPolarHBondContact CE1-OG 3.27Å; Y148-S246 WeakPolarHBondContact OH-CB 3.43Å; Y148-S246 PolarHBondContact OH-OG 3Å; Y148-Y247 HydrophobicContact CD1-CD1 4.44Å; Y148-Y247 HydrophobicContact CD1-CE1 4.09Å; Y148-Y247 AromaticContact CE1-CD1 3.97Å; Y148-Y247 HydrophobicContact CE1-CD1 3.97Å; Y148-Y247 AromaticContact CE1-CE1 3.7Å; Y148-Y247 HydrophobicContact CE1-CE1 3.7Å; Y148-L250 HydrophobicContact CD1-CD1 3.62Å; Y148-L250 HydrophobicContact CE1-CD1 3.71Å |
| 149 | H | 96.4 | Very high | 95 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 9% | 0.093 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.1 | -48.3 | 178.3 | 170 | -90.2 | 0 | 0 | 0 | 112.6 | L145 H146 I151 T152 V153 Y247 | L145-H149 WeakPolarHBondContact O-CB 3.32Å; L145-H149 PolarHBondContact O-N 3.03Å; H146-H149 PolarHBondContact O-N 3.32Å; H149-I151 VanDerWaalsContact C-N 3.33Å; H149-I151 PolarHBondContact O-N 3.22Å; H149-T152 PolarHBondContact O-N 3.44Å; H149-T152 PolarHBondContact O-OG1 2.95Å; H149-V153 WeakPolarHBondContact O-CB 3.48Å; H149-V153 VanDerWaalsContact O-CG1 3.23Å; H149-V153 WeakPolarHBondContact O-CG1 3.43Å; H149-V153 PolarHBondContact O-N 3.37Å; H149-Y247 HydrophobicContact CB-CE1 4.24Å; H149-Y247 AromaticContact CD2-CD2 4Å; H149-Y247 AromaticContact CD2-CE2 3.54Å; H149-Y247 AromaticContact CD2-CZ 3.54Å; H149-Y247 PolarHBondContact O-OH 3.48Å |
| 150 | H | 96.8 | Very high | 95 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.3 | -38.2 | -178.7 | -82.8 | -65.7 | 0 | 0 | 0 | 113 | E128 L129 D131 H146 Y148 L154 | E128-H150 PolarHBondContact O-CE1 3.21Å; L129-H150 HydrophobicContact CD2-CB 3.87Å; D131-H150 IonicContact OD2-CE1 3.88Å; H146-H150 AromaticContact CD2-CD2 3.74Å; H146-H150 AromaticContact CE1-CD2 3.48Å; H146-H150 PolarHBondContact CE1-CD2 3.05Å; H146-H150 VanDerWaalsContact CE1-CD2 3.48Å; H146-H150 AromaticContact CE1-NE2 3.07Å; H146-H150 PolarHBondContact CE1-NE2 3.18Å; H146-H150 AromaticContact CG-CD2 3.93Å; H146-H150 AromaticContact ND1-CD2 3.77Å; H146-H150 AromaticContact ND1-NE2 3.56Å; H146-H150 AromaticContact NE2-CD2 3.5Å; H146-H150 AromaticContact NE2-NE2 3.51Å; H146-H150 PolarHBondContact O-CD2 3.19Å; H146-H150 PolarHBondContact O-N 3.29Å; Y148-H150 PolarHBondContact O-N 2.98Å; H150-L154 WeakPolarHBondContact O-CB 3.45Å; H150-L154 PolarHBondContact O-N 3.46Å |
| 151 | I | 96.6 | Very high | 95 | Very high | 28 Ų | 28 | 38.2 Ų | 38.2 | 14% | 0.144 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.5 | -54 | 174.2 | -70.8 | 175.9 | 0 | 0 | 0 | 110.3 | Y45 A46 W147 Y148 H149 V153 L154 L155 | Y45-I151 HydrophobicContact CD1-CD1 3.83Å; Y45-I151 HydrophobicContact CD1-CG1 3.5Å; Y45-I151 VanDerWaalsContact CD1-CG1 3.5Å; Y45-I151 HydrophobicContact CE1-CD1 3.9Å; Y45-I151 HydrophobicContact CE1-CG1 3.56Å; A46-I151 HydrophobicContact CB-CD1 4.46Å; W147-I151 HydrophobicContact CE3-CD1 3.82Å; W147-I151 HydrophobicContact CZ3-CD1 4.1Å; W147-I151 WeakPolarHBondContact O-CG1 3.43Å; W147-I151 PolarHBondContact O-N 2.99Å; Y148-I151 PolarHBondContact O-N 3.43Å; H149-I151 VanDerWaalsContact C-N 3.33Å; H149-I151 PolarHBondContact O-N 3.22Å; I151-V153 PolarHBondContact O-N 3.04Å; I151-L154 PolarHBondContact O-N 3.47Å; I151-L155 HydrophobicContact CG2-CD1 3.95Å; I151-L155 WeakPolarHBondContact O-CG 3.38Å; I151-L155 PolarHBondContact O-N 2.92Å; I151-L155 VanDerWaalsContact O-N 3.11Å |
| 152 | T | 96.8 | Very high | 94.8 | Very high | 31 Ų | 31 | 30.8 Ų | 30.8 | 19% | 0.19 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.5 | -35.6 | -170.9 | 44.5 | 0 | 0 | 0 | 0 | 112.6 | Y148 H149 Y156 Y247 | Y148-T152 HydrophobicContact CD2-CG2 4.17Å; Y148-T152 HydrophobicContact CE2-CG2 3.74Å; Y148-T152 PolarHBondContact O-N 3.34Å; Y148-T152 PolarHBondContact O-OG1 2.91Å; H149-T152 PolarHBondContact O-N 3.44Å; H149-T152 PolarHBondContact O-OG1 2.95Å; T152-Y156 VanDerWaalsContact O-CB 3.26Å; T152-Y156 WeakPolarHBondContact O-CB 3.25Å; T152-Y156 PolarHBondContact O-N 2.76Å; T152-Y247 WeakPolarHBondContact CB-OH 3.38Å; T152-Y247 WeakPolarHBondContact OG1-CE1 3.41Å; T152-Y247 PolarHBondContact OG1-OH 3.39Å |
| 153 | V | 96.2 | Very high | 94.6 | Very high | 13 Ų | 13 | 31.1 Ų | 31.1 | 8% | 0.079 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.8 | -33.8 | 176.3 | 79.1 | 0 | 0 | 0 | 0 | 112.2 | K125 H149 I151 S157 Y247 | K125-V153 HydrophobicContact CD-CG1 4.3Å; K125-V153 HydrophobicContact CD-CG2 4.46Å; H149-V153 WeakPolarHBondContact O-CB 3.48Å; H149-V153 VanDerWaalsContact O-CG1 3.23Å; H149-V153 WeakPolarHBondContact O-CG1 3.43Å; H149-V153 PolarHBondContact O-N 3.37Å; I151-V153 PolarHBondContact O-N 3.04Å; V153-S157 WeakPolarHBondContact O-CB 3.46Å; V153-S157 PolarHBondContact O-N 3.2Å; V153-S157 PolarHBondContact O-OG 3.26Å; V153-Y247 PolarHBondContact N-OH 2.88Å |
| 154 | L | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.2 | -51.9 | 174.4 | 177 | 67.2 | 0 | 0 | 0 | 110.7 | F41 K125 A126 L129 H150 I151 Y156 S157 W158 | F41-L154 HydrophobicContact CB-CD2 3.85Å; K125-L154 HydrophobicContact CB-CB 4.37Å; K125-L154 HydrophobicContact CB-CD1 3.78Å; A126-L154 HydrophobicContact CB-CD1 4.18Å; L129-L154 HydrophobicContact CD1-CD2 4.01Å; H150-L154 WeakPolarHBondContact O-CB 3.45Å; H150-L154 PolarHBondContact O-N 3.46Å; I151-L154 PolarHBondContact O-N 3.47Å; L154-Y156 PolarHBondContact O-N 3.2Å; L154-S157 PolarHBondContact O-OG 3.48Å; L154-S157 VanDerWaalsContact O-OG 3.11Å; L154-W158 PolarHBondContact O-N 2.96Å |
| 155 | L | 96.6 | Very high | 94.3 | Very high | 39 Ų | 39 | 25.2 Ų | 25.2 | 20% | 0.204 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.8 | -49.5 | 178.7 | -65.6 | 175.2 | 0 | 0 | 0 | 111.3 | S38 F39 I151 Y159 | S38-L155 WeakPolarHBondContact OG-CD2 3.46Å; F39-L155 HydrophobicContact CB-CD2 4.49Å; F39-L155 HydrophobicContact CD1-CD1 4.43Å; F39-L155 HydrophobicContact CD1-CD2 3.57Å; F39-L155 HydrophobicContact CE1-CD1 4.32Å; F39-L155 HydrophobicContact CE1-CD2 3.86Å; F39-L155 HydrophobicContact CG-CD2 3.98Å; I151-L155 HydrophobicContact CG2-CD1 3.95Å; I151-L155 WeakPolarHBondContact O-CG 3.38Å; I151-L155 PolarHBondContact O-N 2.92Å; I151-L155 VanDerWaalsContact O-N 3.11Å; L155-Y159 VanDerWaalsContact O-CB 3.26Å; L155-Y159 WeakPolarHBondContact O-CB 3.44Å; L155-Y159 PolarHBondContact O-N 3.01Å |
| 156 | Y | 96.2 | Very high | 94.1 | Very high | 23 Ų | 23 | 24.2 Ų | 24.2 | 9% | 0.09 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.6 | -42.4 | -175.7 | 178.9 | -103.9 | 0 | 0 | 0 | 112.9 | T152 L154 W158 Y159 S160 W239 A240 M243 | T152-Y156 VanDerWaalsContact O-CB 3.26Å; T152-Y156 WeakPolarHBondContact O-CB 3.25Å; T152-Y156 PolarHBondContact O-N 2.76Å; L154-Y156 PolarHBondContact O-N 3.2Å; Y156-W158 VanDerWaalsContact C-N 3.33Å; Y156-W158 PolarHBondContact O-N 3.43Å; Y156-Y159 PolarHBondContact O-N 3.2Å; Y156-S160 VanDerWaalsContact O-CB 3.29Å; Y156-S160 WeakPolarHBondContact O-CB 3.34Å; Y156-S160 PolarHBondContact O-N 3.24Å; Y156-S160 PolarHBondContact O-OG 3.41Å; Y156-W239 HydrophobicContact CD2-CB 4.14Å; Y156-W239 HydrophobicContact CE2-CB 4.21Å; Y156-A240 HydrophobicContact CE2-CB 3.94Å; Y156-A240 WeakPolarHBondContact OH-CB 3.21Å; Y156-M243 HydrophobicContact CD1-CE 3.32Å; Y156-M243 HydrophobicContact CD1-SD 3.69Å; Y156-M243 HydrophobicContact CE1-CE 3.67Å; Y156-M243 HydrophobicContact CG-CE 3.92Å; Y156-M243 HydrophobicContact CG-SD 3.77Å |
| 157 | S | 95.6 | Very high | 94 | Very high | 5 Ų | 5 | 21.9 Ų | 21.9 | 4% | 0.035 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.2 | -39.9 | 178.7 | 56.8 | 0 | 0 | 0 | 0 | 112.1 | K125 V153 L154 S160 Y161 | K125-S157 WeakPolarHBondContact CG-OG 3.48Å; V153-S157 WeakPolarHBondContact O-CB 3.46Å; V153-S157 PolarHBondContact O-N 3.2Å; V153-S157 PolarHBondContact O-OG 3.26Å; L154-S157 PolarHBondContact O-OG 3.48Å; L154-S157 VanDerWaalsContact O-OG 3.11Å; S157-S160 PolarHBondContact O-OG 3.04Å; S157-Y161 VanDerWaalsContact O-CB 3.31Å; S157-Y161 WeakPolarHBondContact O-CB 3.24Å; S157-Y161 PolarHBondContact O-N 3.13Å; S157-Y161 VanDerWaalsContact O-N 3.13Å |
| 158 | W | 95.1 | Very high | 93.8 | Very high | 6 Ų | 6 | 19.1 Ų | 19.1 | 2% | 0.023 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -70 | -41.5 | 178.3 | -76.7 | 46.7 | 0 | 0 | 0 | 111.8 | W30 M31 W35 K37 F41 V122 L123 L154 Y156 | W30-W158 AromaticContact CH2-CH2 3.73Å; W30-W158 HydrophobicContact CH2-CH2 3.73Å; W30-W158 AromaticContact CH2-CZ3 3.9Å; W30-W158 HydrophobicContact CH2-CZ3 3.9Å; W30-W158 HydrophobicContact CZ3-CH2 4.01Å; W30-W158 HydrophobicContact CZ3-CZ3 4.01Å; M31-W158 HydrophobicContact CE-CB 3.74Å; M31-W158 HydrophobicContact CE-CD2 3.88Å; M31-W158 HydrophobicContact CE-CE3 4.03Å; M31-W158 HydrophobicContact CE-CG 3.81Å; M31-W158 WeakPolarHBondContact CE-O 3.34Å; W35-W158 HydrophobicContact CB-CB 4.49Å; K37-W158 HydrophobicContact CB-CZ3 4.09Å; F41-W158 HydrophobicContact CD2-CH2 4.22Å; F41-W158 AromaticContact CE2-CH2 3.66Å; F41-W158 HydrophobicContact CE2-CH2 3.66Å; F41-W158 HydrophobicContact CE2-CZ2 4.26Å; F41-W158 HydrophobicContact CE2-CZ3 4.17Å; V122-W158 HydrophobicContact CG1-CB 4.45Å; V122-W158 HydrophobicContact CG1-CD2 4.49Å; V122-W158 HydrophobicContact CG1-CG 3.9Å; V122-W158 PolarHBondContact O-NE1 3.22Å; L123-W158 HydrophobicContact CD2-CZ2 4.09Å; L154-W158 PolarHBondContact O-N 2.96Å; Y156-W158 VanDerWaalsContact C-N 3.33Å; Y156-W158 PolarHBondContact O-N 3.43Å |
| 159 | Y | 94.4 | Very high | 93.7 | Very high | 36 Ų | 36 | 16.5 Ų | 16.5 | 14% | 0.141 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67.6 | -43 | 177.6 | 176.4 | -104 | 0 | 0 | 0 | 112.9 | W35 L155 Y156 K162 D235 N236 W239 | W35-Y159 HydrophobicContact CD2-CD2 4.43Å; W35-Y159 AromaticContact CE3-CD2 3.87Å; W35-Y159 HydrophobicContact CE3-CD2 3.87Å; W35-Y159 HydrophobicContact CH2-CD2 4.22Å; W35-Y159 AromaticContact CZ3-CD2 3.74Å; W35-Y159 HydrophobicContact CZ3-CD2 3.74Å; W35-Y159 HydrophobicContact CZ3-CE2 4.46Å; L155-Y159 VanDerWaalsContact O-CB 3.26Å; L155-Y159 WeakPolarHBondContact O-CB 3.44Å; L155-Y159 PolarHBondContact O-N 3.01Å; Y156-Y159 PolarHBondContact O-N 3.2Å; Y159-K162 HydrophobicContact CD2-CD 4.33Å; Y159-K162 VanDerWaalsContact CD2-CE 3.45Å; Y159-K162 VanDerWaalsContact CE2-CE 3.47Å; Y159-K162 WeakPolarHBondContact O-CD 3.43Å; Y159-K162 WeakPolarHBondContact O-CE 3.31Å; Y159-K162 VanDerWaalsContact O-CG 3.23Å; Y159-K162 WeakPolarHBondContact O-CG 3.36Å; Y159-D235 WeakPolarHBondContact OH-CB 3.13Å; Y159-D235 PolarHBondContact OH-OD2 3.45Å; Y159-N236 VanDerWaalsContact CD1-OD1 3.27Å; Y159-N236 WeakPolarHBondContact CD1-OD1 3.33Å; Y159-N236 WeakPolarHBondContact CE1-OD1 3.49Å; Y159-W239 AromaticContact CE1-CD1 3.89Å |
| 160 | S | 93.2 | Very high | 93.7 | Very high | 13 Ų | 13 | 18.7 Ų | 18.7 | 9% | 0.091 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -74.4 | -34.4 | -177.3 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | Y156 S157 K162 D163 M164 V165 N236 | Y156-S160 VanDerWaalsContact O-CB 3.29Å; Y156-S160 WeakPolarHBondContact O-CB 3.34Å; Y156-S160 PolarHBondContact O-N 3.24Å; Y156-S160 PolarHBondContact O-OG 3.41Å; S157-S160 PolarHBondContact O-OG 3.04Å; S160-K162 VanDerWaalsContact C-N 3.31Å; S160-K162 PolarHBondContact O-N 3.27Å; S160-D163 PolarHBondContact O-N 2.72Å; S160-M164 PolarHBondContact O-N 3.14Å; S160-V165 WeakPolarHBondContact O-CG2 3.49Å; S160-V165 PolarHBondContact O-N 3.24Å; S160-N236 WeakPolarHBondContact CA-OD1 3.34Å |
| 161 | Y | 92.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.008 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.9 | -37.1 | 179.1 | -174.6 | -84.3 | 0 | 0 | 0 | 112.4 | I28 M31 Y109 A118 Y119 V122 S157 D163 M164 | I28-Y161 HydrophobicContact CG1-CE1 4.05Å; M31-Y161 HydrophobicContact CB-CD1 3.77Å; M31-Y161 HydrophobicContact CB-CE1 4.19Å; M31-Y161 HydrophobicContact CG-CD1 3.49Å; M31-Y161 VanDerWaalsContact CG-CD1 3.49Å; M31-Y161 HydrophobicContact CG-CE1 3.73Å; M31-Y161 HydrophobicContact CG-CG 4.49Å; Y109-Y161 AromaticContact CD1-CD2 3.82Å; Y109-Y161 HydrophobicContact CD1-CD2 3.82Å; Y109-Y161 AromaticContact CD1-CE2 3.65Å; Y109-Y161 HydrophobicContact CD1-CE2 3.65Å; Y109-Y161 AromaticContact CE1-CD2 3.61Å; Y109-Y161 HydrophobicContact CE1-CD2 3.61Å; Y109-Y161 AromaticContact CE1-CE2 3.94Å; Y109-Y161 HydrophobicContact CE1-CE2 3.94Å; Y109-Y161 HydrophobicContact CE1-CG 4.34Å; A118-Y161 HydrophobicContact CB-CE2 3.88Å; Y119-Y161 HydrophobicContact CD2-CE1 4.17Å; V122-Y161 HydrophobicContact CB-CD2 4.46Å; V122-Y161 HydrophobicContact CG2-CD2 3.45Å; V122-Y161 VanDerWaalsContact CG2-CD2 3.45Å; V122-Y161 HydrophobicContact CG2-CE2 4.3Å; V122-Y161 HydrophobicContact CG2-CG 3.75Å; S157-Y161 VanDerWaalsContact O-CB 3.31Å; S157-Y161 WeakPolarHBondContact O-CB 3.24Å; S157-Y161 PolarHBondContact O-N 3.13Å; S157-Y161 VanDerWaalsContact O-N 3.13Å; Y161-D163 PolarHBondContact O-N 2.92Å; Y161-D163 VanDerWaalsContact O-N 3.14Å; Y161-M164 PolarHBondContact O-N 3.44Å |
| 162 | K | 88.6 | Confident | 93.6 | Very high | 24 Ų | 24 | 18 Ų | 18 | 10% | 0.104 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.7 | -30.6 | 178.6 | 96.1 | -167.8 | 165.7 | 59.5 | 0 | 112.7 | Q32 W35 Y159 S160 | Q32-K162 HydrophobicContact CG-CB 4.01Å; Q32-K162 PolarHBondContact NE2-O 3.33Å; W35-K162 HydrophobicContact CB-CD 4.34Å; W35-K162 HydrophobicContact CD2-CD 4.12Å; W35-K162 HydrophobicContact CG-CD 3.78Å; Y159-K162 HydrophobicContact CD2-CD 4.33Å; Y159-K162 VanDerWaalsContact CD2-CE 3.45Å; Y159-K162 VanDerWaalsContact CE2-CE 3.47Å; Y159-K162 WeakPolarHBondContact O-CD 3.43Å; Y159-K162 WeakPolarHBondContact O-CE 3.31Å; Y159-K162 VanDerWaalsContact O-CG 3.23Å; Y159-K162 WeakPolarHBondContact O-CG 3.36Å; S160-K162 VanDerWaalsContact C-N 3.31Å; S160-K162 PolarHBondContact O-N 3.27Å |
| 163 | D | 88.1 | Confident | 93.6 | Very high | 34 Ų | 34 | 17.3 Ų | 17.3 | 18% | 0.182 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 1.3 | -176.6 | -71.4 | -19 | 0 | 0 | 0 | 112.1 | S160 Y161 V165 R233 N236 | S160-D163 PolarHBondContact O-N 2.72Å; Y161-D163 PolarHBondContact O-N 2.92Å; Y161-D163 VanDerWaalsContact O-N 3.14Å; D163-V165 HydrophobicContact CB-CG2 4.04Å; D163-V165 PolarHBondContact O-N 3.46Å; D163-R233 VanDerWaalsContact CG-CD 3.45Å; D163-R233 IonicContact OD1-NH1 3.16Å; D163-R233 WeakPolarHBondContact OD2-CD 3.44Å; D163-R233 IonicContact OD2-CZ 3.5Å; D163-R233 IonicContact OD2-NH1 4Å; D163-R233 PolarHBondContact OD2-NH1 3.41Å; D163-R233 VanDerWaalsContact OD2-NH1 3.16Å; D163-N236 PolarHBondContact OD2-ND2 2.84Å |
| 164 | M | 89.9 | Confident | 93.6 | Very high | 46 Ų | 46 | 17.5 Ų | 17.5 | 23% | 0.227 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | 47.8 | -177.4 | -64.2 | -179.2 | -73.9 | 0 | 0 | 112.2 | I28 Q106 Y109 S160 Y161 A166 | I28-M164 HydrophobicContact CD1-CG 4.41Å; I28-M164 HydrophobicContact CD1-SD 3.61Å; I28-M164 HydrophobicContact CG1-SD 4.39Å; Q106-M164 WeakPolarHBondContact CG-O 3.29Å; Q106-M164 PolarHBondContact NE2-O 3.31Å; Y109-M164 HydrophobicContact CD1-CG 4.3Å; Y109-M164 HydrophobicContact CD2-CB 3.7Å; Y109-M164 HydrophobicContact CD2-CG 4.07Å; Y109-M164 VanDerWaalsContact CE2-C 3.41Å; Y109-M164 HydrophobicContact CE2-CB 3.91Å; Y109-M164 HydrophobicContact CG-CB 4.06Å; Y109-M164 HydrophobicContact CG-CG 3.9Å; S160-M164 PolarHBondContact O-N 3.14Å; Y161-M164 PolarHBondContact O-N 3.44Å; M164-A166 PolarHBondContact O-N 3.46Å |
| 165 | V | 90.2 | Very high | 93.7 | Very high | 7 Ų | 7 | 17.9 Ų | 17.9 | 4% | 0.042 | 9% | 0.088 | C | C | . | . | trans | -54.6 | 132.4 | -169.6 | 171.9 | 0 | 0 | 0 | 0 | 112 | Y109 S160 D163 G168 N236 | Y109-V165 PolarHBondContact OH-N 2.96Å; Y109-V165 PolarHBondContact OH-O 3.28Å; S160-V165 WeakPolarHBondContact O-CG2 3.49Å; S160-V165 PolarHBondContact O-N 3.24Å; D163-V165 HydrophobicContact CB-CG2 4.04Å; D163-V165 PolarHBondContact O-N 3.46Å; V165-G168 PolarHBondContact O-N 3.5Å; V165-N236 HydrophobicContact CG1-CB 4.39Å; V165-N236 HydrophobicContact CG2-CB 3.61Å; V165-N236 WeakPolarHBondContact CG2-OD1 3.17Å | ||
| 166 | A | 90.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.008 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 139.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I103 M164 G168 V221 | I103-A166 CarbonylContact O-C 3.54Å; M164-A166 PolarHBondContact O-N 3.46Å; A166-G168 VanDerWaalsContact C-N 3.26Å; A166-V221 HydrophobicContact CB-CG1 4.06Å; A166-V221 HydrophobicContact CB-CG2 4.28Å |
| 167 | G | 91.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.01 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | -8.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I103 G169 W170 F171 | I103-G167 WeakPolarHBondContact O-CA 3.38Å; I103-G167 PolarHBondContact O-N 3.47Å; G167-G169 VanDerWaalsContact C-N 3.28Å; G167-G169 PolarHBondContact O-N 3.35Å; G167-W170 WeakPolarHBondContact O-CB 3.34Å; G167-W170 PolarHBondContact O-N 3.19Å; G167-F171 WeakPolarHBondContact O-CD2 3.22Å; G167-F171 WeakPolarHBondContact O-CG 3.39Å; G167-F171 PolarHBondContact O-N 3.45Å |
| 168 | G | 92.8 | Very high | 93.9 | Very high | 5 Ų | 5 | 18.3 Ų | 18.3 | 5% | 0.052 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -51.6 | -43.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y109 V165 A166 W170 F171 M172 | Y109-G168 WeakPolarHBondContact OH-CA 3.37Å; V165-G168 PolarHBondContact O-N 3.5Å; A166-G168 VanDerWaalsContact C-N 3.26Å; G168-W170 VanDerWaalsContact C-N 3.32Å; G168-W170 PolarHBondContact O-N 3.37Å; G168-F171 PolarHBondContact O-N 3.45Å; G168-M172 WeakPolarHBondContact O-CB 3.44Å; G168-M172 VanDerWaalsContact O-CE 3.22Å; G168-M172 WeakPolarHBondContact O-CE 3.15Å; G168-M172 WeakPolarHBondContact O-CG 3.27Å; G168-M172 PolarHBondContact O-N 2.98Å |
| 169 | G | 93.7 | Very high | 94.1 | Very high | 5 Ų | 5 | 18.5 Ų | 18.5 | 5% | 0.052 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59 | -40.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | F108 G167 T173 | F108-G169 VanDerWaalsContact CD2-CA 3.47Å; F108-G169 VanDerWaalsContact CG-CA 3.5Å; G167-G169 VanDerWaalsContact C-N 3.28Å; G167-G169 PolarHBondContact O-N 3.35Å; G169-T173 WeakPolarHBondContact O-CB 3.38Å; G169-T173 PolarHBondContact O-N 2.86Å; G169-T173 PolarHBondContact O-OG1 3.36Å |
| 170 | W | 95.6 | Very high | 94.2 | Very high | 65 Ų | 65 | 17.3 Ų | 17.3 | 25% | 0.246 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66.5 | -47.6 | 173.5 | -79.3 | 98.9 | 0 | 0 | 0 | 111.5 | M90 L94 F99 S102 G167 G168 M172 T173 M174 V217 | M90-W170 HydrophobicContact CE-CD2 3.91Å; M90-W170 HydrophobicContact CE-CG 3.76Å; M90-W170 HydrophobicContact CE-CZ2 4.38Å; M90-W170 VanDerWaalsContact CE-NE1 3.32Å; L94-W170 HydrophobicContact CD2-CH2 4.44Å; F99-W170 HydrophobicContact CD2-CZ2 4.13Å; F99-W170 HydrophobicContact CE2-CH2 4.43Å; F99-W170 AromaticContact CE2-CZ2 3.98Å; F99-W170 HydrophobicContact CE2-CZ2 3.98Å; S102-W170 PolarHBondContact OG-NE1 2.95Å; G167-W170 WeakPolarHBondContact O-CB 3.34Å; G167-W170 PolarHBondContact O-N 3.19Å; G168-W170 VanDerWaalsContact C-N 3.32Å; G168-W170 PolarHBondContact O-N 3.37Å; W170-M172 PolarHBondContact O-N 3.49Å; W170-T173 PolarHBondContact O-N 3.16Å; W170-M174 WeakPolarHBondContact O-CB 3.4Å; W170-M174 VanDerWaalsContact O-CG 3.24Å; W170-M174 WeakPolarHBondContact O-CG 3.21Å; W170-M174 PolarHBondContact O-N 3.35Å; W170-V217 HydrophobicContact CB-CG1 4.45Å; W170-V217 HydrophobicContact CB-CG2 4.23Å; W170-V217 HydrophobicContact CG-CG2 4.45Å |
| 171 | F | 95.7 | Very high | 94.4 | Very high | 15 Ų | 15 | 20.9 Ų | 20.9 | 7% | 0.066 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.1 | -44.2 | -179.5 | -61.9 | -41.7 | 0 | 0 | 0 | 112.9 | G167 G168 M174 N175 G214 V217 S218 Y244 | G167-F171 WeakPolarHBondContact O-CD2 3.22Å; G167-F171 WeakPolarHBondContact O-CG 3.39Å; G167-F171 PolarHBondContact O-N 3.45Å; G168-F171 PolarHBondContact O-N 3.45Å; F171-M174 HydrophobicContact CB-CE 4.43Å; F171-M174 HydrophobicContact CD1-CE 3.83Å; F171-M174 VanDerWaalsContact O-CG 3.25Å; F171-M174 WeakPolarHBondContact O-CG 3.46Å; F171-N175 WeakPolarHBondContact O-CB 3.44Å; F171-N175 PolarHBondContact O-N 3.08Å; F171-G214 WeakPolarHBondContact CE1-O 3.45Å; F171-V217 HydrophobicContact CD1-CG1 4.44Å; F171-V217 HydrophobicContact CE1-CB 3.78Å; F171-V217 HydrophobicContact CE1-CG1 3.7Å; F171-V217 HydrophobicContact CE2-CG1 4.38Å; F171-V217 HydrophobicContact CZ-CB 4.12Å; F171-V217 HydrophobicContact CZ-CG1 3.66Å; F171-S218 WeakPolarHBondContact CZ-OG 3.23Å; F171-Y244 AromaticContact CD1-CE2 3.77Å; F171-Y244 HydrophobicContact CD1-CE2 3.77Å; F171-Y244 AromaticContact CD1-CZ 3.73Å; F171-Y244 VanDerWaalsContact CD1-OH 3.28Å; F171-Y244 WeakPolarHBondContact CD1-OH 3.48Å; F171-Y244 HydrophobicContact CE1-CD2 4.45Å; F171-Y244 AromaticContact CE1-CE2 3.68Å; F171-Y244 HydrophobicContact CE1-CE2 3.68Å; F171-Y244 HydrophobicContact CG-CE2 4.35Å; F171-Y244 HydrophobicContact CZ-CE2 4.2Å |
| 172 | M | 96.3 | Very high | 94.7 | Very high | 8 Ų | 8 | 21.5 Ų | 21.5 | 4% | 0.039 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.8 | -46.1 | 179.6 | -69.1 | -177.7 | -93.6 | 0 | 0 | 111.3 | F108 Y109 A118 F121 G168 W170 N175 Y176 | F108-M172 HydrophobicContact CD1-CE 3.5Å; F108-M172 VanDerWaalsContact CD1-CE 3.5Å; F108-M172 HydrophobicContact CE1-CB 4.3Å; F108-M172 HydrophobicContact CE1-CE 3.34Å; F108-M172 HydrophobicContact CE1-SD 3.81Å; F108-M172 HydrophobicContact CZ-CB 4.36Å; F108-M172 HydrophobicContact CZ-CE 4.45Å; Y109-M172 HydrophobicContact CD1-CE 4.38Å; Y109-M172 HydrophobicContact CE1-CE 3.58Å; A118-M172 HydrophobicContact CB-CE 4.18Å; A118-M172 HydrophobicContact CB-SD 3.91Å; F121-M172 HydrophobicContact CB-CG 4.47Å; F121-M172 HydrophobicContact CB-SD 4.23Å; F121-M172 HydrophobicContact CD1-CB 4.42Å; F121-M172 HydrophobicContact CD1-CG 3.58Å; F121-M172 HydrophobicContact CD1-SD 3.99Å; F121-M172 HydrophobicContact CD2-CB 4.25Å; F121-M172 HydrophobicContact CD2-CG 4.27Å; F121-M172 HydrophobicContact CE1-CG 3.77Å; F121-M172 HydrophobicContact CE2-CB 4.39Å; F121-M172 HydrophobicContact CE2-CG 4.42Å; F121-M172 HydrophobicContact CG-CB 4.25Å; F121-M172 HydrophobicContact CG-CG 3.84Å; F121-M172 HydrophobicContact CG-SD 4.19Å; F121-M172 HydrophobicContact CZ-CG 4.19Å; G168-M172 WeakPolarHBondContact O-CB 3.44Å; G168-M172 VanDerWaalsContact O-CE 3.22Å; G168-M172 WeakPolarHBondContact O-CE 3.15Å; G168-M172 WeakPolarHBondContact O-CG 3.27Å; G168-M172 PolarHBondContact O-N 2.98Å; W170-M172 PolarHBondContact O-N 3.49Å; M172-N175 PolarHBondContact O-N 3.42Å; M172-Y176 WeakPolarHBondContact O-CD2 3.31Å; M172-Y176 PolarHBondContact O-N 2.84Å |
| 173 | T | 96.4 | Very high | 95.1 | Very high | 15 Ų | 15 | 20.4 Ų | 20.4 | 9% | 0.092 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.8 | -43.2 | -178.1 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | T86 M90 G169 W170 N175 T177 | T86-T173 VanDerWaalsContact CB-OG1 3.3Å; T86-T173 WeakPolarHBondContact CB-OG1 3.3Å; T86-T173 PolarHBondContact OG1-OG1 3.42Å; M90-T173 HydrophobicContact CG-CG2 4.37Å; M90-T173 WeakPolarHBondContact CG-OG1 3.46Å; G169-T173 WeakPolarHBondContact O-CB 3.38Å; G169-T173 PolarHBondContact O-N 2.86Å; G169-T173 PolarHBondContact O-OG1 3.36Å; W170-T173 PolarHBondContact O-N 3.16Å; T173-N175 VanDerWaalsContact C-N 3.33Å; T173-N175 PolarHBondContact O-N 2.84Å; T173-T177 WeakPolarHBondContact O-CB 3.43Å; T173-T177 PolarHBondContact O-N 2.83Å; T173-T177 PolarHBondContact O-OG1 2.93Å |
| 174 | M | 97 | Very high | 95.5 | Very high | 18 Ų | 18 | 21 Ų | 21 | 9% | 0.089 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.3 | -40 | 175.7 | 72.4 | 179 | -167.7 | 0 | 0 | 111.5 | W170 F171 T177 V178 Q210 M213 Y244 | W170-M174 WeakPolarHBondContact O-CB 3.4Å; W170-M174 VanDerWaalsContact O-CG 3.24Å; W170-M174 WeakPolarHBondContact O-CG 3.21Å; W170-M174 PolarHBondContact O-N 3.35Å; F171-M174 HydrophobicContact CB-CE 4.43Å; F171-M174 HydrophobicContact CD1-CE 3.83Å; F171-M174 VanDerWaalsContact O-CG 3.25Å; F171-M174 WeakPolarHBondContact O-CG 3.46Å; M174-T177 PolarHBondContact O-N 3.22Å; M174-V178 WeakPolarHBondContact O-CG2 3.29Å; M174-V178 PolarHBondContact O-N 3.46Å; M174-Q210 HydrophobicContact CB-CG 4.18Å; M174-Q210 HydrophobicContact CE-CG 3.54Å; M174-Q210 HydrophobicContact CG-CG 3.62Å; M174-Q210 HydrophobicContact SD-CB 4.48Å; M174-Q210 HydrophobicContact SD-CG 3.5Å; M174-Q210 VanDerWaalsContact SD-CG 3.5Å; M174-M213 HydrophobicContact SD-CB 4.49Å; M174-Y244 HydrophobicContact CE-CD1 4.49Å; M174-Y244 HydrophobicContact CE-CE1 3.38Å; M174-Y244 VanDerWaalsContact CE-CZ 3.47Å; M174-Y244 WeakPolarHBondContact CE-OH 3.24Å |
| 175 | N | 97.7 | Very high | 95.8 | Very high | 7 Ų | 7 | 21.1 Ų | 21.1 | 4% | 0.037 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67 | -45.6 | 179.8 | -176.1 | -96.2 | 0 | 0 | 0 | 111.2 | F121 K125 F171 M172 T173 T177 V178 H179 | F121-N175 HydrophobicContact CE2-CB 3.66Å; F121-N175 WeakPolarHBondContact CE2-OD1 3.26Å; F121-N175 HydrophobicContact CZ-CB 3.83Å; K125-N175 PolarHBondContact NZ-OD1 3.45Å; F171-N175 WeakPolarHBondContact O-CB 3.44Å; F171-N175 PolarHBondContact O-N 3.08Å; M172-N175 PolarHBondContact O-N 3.42Å; T173-N175 VanDerWaalsContact C-N 3.33Å; T173-N175 PolarHBondContact O-N 2.84Å; N175-T177 VanDerWaalsContact C-N 3.25Å; N175-T177 PolarHBondContact O-N 3.42Å; N175-V178 PolarHBondContact O-N 3.01Å; N175-H179 PolarHBondContact ND2-CD2 3.25Å; N175-H179 PolarHBondContact ND2-NE2 2.89Å; N175-H179 VanDerWaalsContact O-CB 3.22Å; N175-H179 WeakPolarHBondContact O-CB 3.46Å; N175-H179 PolarHBondContact O-CD2 3Å; N175-H179 PolarHBondContact O-N 2.9Å |
| 176 | Y | 98 | Very high | 96 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -54.7 | -43.5 | 173 | -85.9 | -54.6 | 0 | 0 | 0 | 111.9 | F78 T86 W117 F121 M172 H179 A180 | F78-Y176 HydrophobicContact CD1-CE1 4.21Å; F78-Y176 AromaticContact CE1-CE1 3.57Å; F78-Y176 HydrophobicContact CE1-CE1 3.57Å; F78-Y176 AromaticContact CZ-CE1 3.82Å; F78-Y176 HydrophobicContact CZ-CE1 3.82Å; F78-Y176 WeakPolarHBondContact CZ-OH 3.3Å; T86-Y176 HydrophobicContact CG2-CD2 4.15Å; T86-Y176 HydrophobicContact CG2-CE2 4.08Å; W117-Y176 PolarHBondContact O-OH 2.94Å; F121-Y176 VanDerWaalsContact CA-OH 3.28Å; F121-Y176 WeakPolarHBondContact CA-OH 3.47Å; F121-Y176 HydrophobicContact CB-CE2 3.86Å; F121-Y176 WeakPolarHBondContact CB-OH 3.48Å; F121-Y176 HydrophobicContact CD2-CD1 4.41Å; F121-Y176 AromaticContact CD2-CD2 3.99Å; F121-Y176 HydrophobicContact CD2-CD2 3.99Å; F121-Y176 HydrophobicContact CD2-CE1 4.13Å; F121-Y176 AromaticContact CD2-CE2 3.65Å; F121-Y176 HydrophobicContact CD2-CE2 3.65Å; F121-Y176 HydrophobicContact CD2-CG 4.36Å; F121-Y176 AromaticContact CD2-CZ 3.74Å; F121-Y176 HydrophobicContact CG-CE2 4.19Å; F121-Y176 PolarHBondContact N-OH 3.34Å; F121-Y176 VanDerWaalsContact N-OH 3.15Å; M172-Y176 WeakPolarHBondContact O-CD2 3.31Å; M172-Y176 PolarHBondContact O-N 2.84Å; Y176-H179 PolarHBondContact O-N 2.92Å; Y176-A180 VanDerWaalsContact O-CB 3.27Å; Y176-A180 WeakPolarHBondContact O-CB 3.42Å; Y176-A180 PolarHBondContact O-N 3.2Å |
| 177 | T | 97.9 | Very high | 96.2 | Very high | 64 Ų | 64 | 25.9 Ų | 25.9 | 39% | 0.393 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -64.5 | -47.5 | -179.4 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | T173 M174 N175 A180 L181 | T173-T177 WeakPolarHBondContact O-CB 3.43Å; T173-T177 PolarHBondContact O-N 2.83Å; T173-T177 PolarHBondContact O-OG1 2.93Å; M174-T177 PolarHBondContact O-N 3.22Å; N175-T177 VanDerWaalsContact C-N 3.25Å; N175-T177 PolarHBondContact O-N 3.42Å; T177-A180 WeakPolarHBondContact O-CB 3.41Å; T177-A180 PolarHBondContact O-N 3.24Å; T177-L181 PolarHBondContact O-N 3.47Å |
| 178 | V | 97.8 | Very high | 96.4 | Very high | 11 Ų | 11 | 27.2 Ų | 27.2 | 7% | 0.067 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -69.5 | -38.3 | 178.7 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | M174 N175 L181 M182 A206 Q207 Q210 | M174-V178 WeakPolarHBondContact O-CG2 3.29Å; M174-V178 PolarHBondContact O-N 3.46Å; N175-V178 PolarHBondContact O-N 3.01Å; V178-L181 PolarHBondContact O-N 3.49Å; V178-M182 WeakPolarHBondContact O-CB 3.36Å; V178-M182 PolarHBondContact O-N 3.11Å; V178-A206 HydrophobicContact CG2-CB 4.34Å; V178-Q207 HydrophobicContact CG1-CB 4.4Å; V178-Q207 HydrophobicContact CG1-CG 3.42Å; V178-Q207 VanDerWaalsContact CG1-CG 3.42Å; V178-Q210 HydrophobicContact CG2-CB 4.14Å; V178-Q210 HydrophobicContact CG2-CG 4.44Å |
| 179 | H | 97.5 | Very high | 96.5 | Very high | 9 Ų | 9 | 32.8 Ų | 32.8 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.1 | -37.2 | 175.6 | -83 | -140.4 | 0 | 0 | 0 | 111.7 | E128 N175 Y176 L181 M182 Y183 | E128-H179 IonicContact OE1-ND1 3.89Å; E128-H179 IonicContact OE2-CE1 2.96Å; E128-H179 PolarHBondContact OE2-CE1 2.77Å; E128-H179 VanDerWaalsContact OE2-CE1 3.29Å; E128-H179 IonicContact OE2-ND1 3.78Å; N175-H179 PolarHBondContact ND2-CD2 3.25Å; N175-H179 PolarHBondContact ND2-NE2 2.89Å; N175-H179 VanDerWaalsContact O-CB 3.22Å; N175-H179 WeakPolarHBondContact O-CB 3.46Å; N175-H179 PolarHBondContact O-CD2 3Å; N175-H179 PolarHBondContact O-N 2.9Å; Y176-H179 PolarHBondContact O-N 2.92Å; H179-L181 VanDerWaalsContact C-N 3.32Å; H179-L181 PolarHBondContact O-N 2.77Å; H179-M182 PolarHBondContact O-N 2.89Å; H179-Y183 HydrophobicContact CB-CD2 4.04Å; H179-Y183 HydrophobicContact CB-CE2 4.19Å; H179-Y183 AromaticContact ND1-CE2 3.55Å; H179-Y183 WeakPolarHBondContact O-CB 3.34Å; H179-Y183 WeakPolarHBondContact O-CD2 3.41Å; H179-Y183 PolarHBondContact O-N 2.99Å |
| 180 | A | 97.8 | Very high | 96.4 | Very high | 11 Ų | 11 | 33.2 Ų | 33.2 | 9% | 0.091 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.7 | -46.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I80 Y176 T177 S184 | I80-A180 HydrophobicContact CB-CB 4.46Å; I80-A180 HydrophobicContact CG1-CB 3.68Å; Y176-A180 VanDerWaalsContact O-CB 3.27Å; Y176-A180 WeakPolarHBondContact O-CB 3.42Å; Y176-A180 PolarHBondContact O-N 3.2Å; T177-A180 WeakPolarHBondContact O-CB 3.41Å; T177-A180 PolarHBondContact O-N 3.24Å; A180-S184 WeakPolarHBondContact O-CB 3.27Å; A180-S184 PolarHBondContact O-N 3.07Å; A180-S184 VanDerWaalsContact O-N 3.15Å; A180-S184 PolarHBondContact O-OG 3.36Å |
| 181 | L | 97.1 | Very high | 96.3 | Very high | 89 Ų | 89 | 32 Ų | 32 | 47% | 0.466 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66.5 | -46.8 | 176.9 | -63.5 | 175.4 | 0 | 0 | 0 | 112.2 | T177 V178 H179 Y185 I203 | T177-L181 PolarHBondContact O-N 3.47Å; V178-L181 PolarHBondContact O-N 3.49Å; H179-L181 VanDerWaalsContact C-N 3.32Å; H179-L181 PolarHBondContact O-N 2.77Å; L181-Y185 WeakPolarHBondContact O-CB 3.45Å; L181-Y185 PolarHBondContact O-N 3.11Å; L181-Y185 VanDerWaalsContact O-N 3.09Å; L181-I203 HydrophobicContact CB-CG1 4.43Å |
| 182 | M | 97.3 | Very high | 96.1 | Very high | 15 Ų | 15 | 33.5 Ų | 33.5 | 7% | 0.074 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.4 | -50.1 | -177.1 | -176.3 | -170.4 | 71.9 | 0 | 0 | 112.2 | V178 H179 Y185 Y186 I203 Q207 | V178-M182 WeakPolarHBondContact O-CB 3.36Å; V178-M182 PolarHBondContact O-N 3.11Å; H179-M182 PolarHBondContact O-N 2.89Å; M182-Y185 WeakPolarHBondContact O-CB 3.43Å; M182-Y185 PolarHBondContact O-N 3.08Å; M182-Y186 HydrophobicContact CE-CE2 3.99Å; M182-Y186 HydrophobicContact CG-CD2 4.1Å; M182-Y186 HydrophobicContact CG-CE1 4.31Å; M182-Y186 HydrophobicContact CG-CE2 3.5Å; M182-Y186 PolarHBondContact O-N 2.86Å; M182-Y186 HydrophobicContact SD-CE2 3.75Å; M182-I203 HydrophobicContact CB-CG2 4.11Å; M182-I203 HydrophobicContact CG-CG2 4.37Å; M182-Q207 PolarHBondContact SD-NE2 3.28Å |
| 183 | Y | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.3 | -33.5 | -178.9 | -77.1 | -62.7 | 0 | 0 | 0 | 112.4 | L75 D131 H179 Y185 Y186 A187 | L75-Y183 HydrophobicContact CB-CD1 3.86Å; L75-Y183 HydrophobicContact CB-CD2 3.77Å; L75-Y183 HydrophobicContact CB-CE1 4.06Å; L75-Y183 HydrophobicContact CB-CE2 3.95Å; L75-Y183 HydrophobicContact CB-CG 3.73Å; L75-Y183 HydrophobicContact CD1-CD1 4.06Å; L75-Y183 HydrophobicContact CD1-CE1 3.46Å; L75-Y183 VanDerWaalsContact CD1-CE1 3.46Å; L75-Y183 HydrophobicContact CD1-CE2 4.12Å; L75-Y183 HydrophobicContact CG-CE1 4.41Å; D131-Y183 WeakPolarHBondContact OD2-CE1 3.27Å; D131-Y183 PolarHBondContact OD2-OH 2.93Å; H179-Y183 HydrophobicContact CB-CD2 4.04Å; H179-Y183 HydrophobicContact CB-CE2 4.19Å; H179-Y183 AromaticContact ND1-CE2 3.55Å; H179-Y183 WeakPolarHBondContact O-CB 3.34Å; H179-Y183 WeakPolarHBondContact O-CD2 3.41Å; H179-Y183 PolarHBondContact O-N 2.99Å; Y183-Y185 VanDerWaalsContact C-N 3.28Å; Y183-Y185 PolarHBondContact O-N 3.09Å; Y183-Y186 HydrophobicContact CD1-CD2 4.1Å; Y183-Y186 HydrophobicContact CE1-CD2 4.38Å; Y183-Y186 PolarHBondContact O-N 3.33Å; Y183-A187 WeakPolarHBondContact O-CB 3.3Å; Y183-A187 PolarHBondContact O-N 2.95Å |
| 184 | S | 96.9 | Very high | 95.4 | Very high | 48 Ų | 48 | 50.6 Ų | 50.6 | 34% | 0.336 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.6 | -42.8 | 171 | -62.7 | 0 | 0 | 0 | 0 | 111.1 | A180 A187 A188 | A180-S184 WeakPolarHBondContact O-CB 3.27Å; A180-S184 PolarHBondContact O-N 3.07Å; A180-S184 VanDerWaalsContact O-N 3.15Å; A180-S184 PolarHBondContact O-OG 3.36Å; S184-A187 PolarHBondContact O-N 3.34Å; S184-A188 WeakPolarHBondContact O-CB 3.22Å; S184-A188 PolarHBondContact O-N 3.34Å |
| 185 | Y | 96.1 | Very high | 95 | Very high | 47 Ų | 47 | 51.1 Ų | 51.1 | 18% | 0.184 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 174 | 172.6 | -93.7 | 0 | 0 | 0 | 112.2 | L181 M182 Y183 A188 R189 V195 F199 A200 I203 | L181-Y185 WeakPolarHBondContact O-CB 3.45Å; L181-Y185 PolarHBondContact O-N 3.11Å; L181-Y185 VanDerWaalsContact O-N 3.09Å; M182-Y185 WeakPolarHBondContact O-CB 3.43Å; M182-Y185 PolarHBondContact O-N 3.08Å; Y183-Y185 VanDerWaalsContact C-N 3.28Å; Y183-Y185 PolarHBondContact O-N 3.09Å; Y185-A188 PolarHBondContact O-N 2.84Å; Y185-R189 HydrophobicContact CD1-CG 4.26Å; Y185-R189 HydrophobicContact CD2-CG 4.39Å; Y185-R189 HydrophobicContact CE1-CG 3.84Å; Y185-R189 HydrophobicContact CE2-CG 3.99Å; Y185-R189 HydrophobicContact CG-CG 4.49Å; Y185-R189 WeakPolarHBondContact O-CB 3.38Å; Y185-R189 VanDerWaalsContact O-CG 3.23Å; Y185-R189 WeakPolarHBondContact O-CG 3.43Å; Y185-R189 PolarHBondContact O-N 2.78Å; Y185-V195 HydrophobicContact CD2-CB 4.15Å; Y185-V195 HydrophobicContact CD2-CG1 3.68Å; Y185-V195 HydrophobicContact CD2-CG2 4.41Å; Y185-V195 HydrophobicContact CE2-CB 3.75Å; Y185-V195 HydrophobicContact CE2-CG1 3.56Å; Y185-V195 HydrophobicContact CE2-CG2 4.37Å; Y185-F199 HydrophobicContact CD2-CB 4.38Å; Y185-F199 HydrophobicContact CE2-CB 4.46Å; Y185-A200 HydrophobicContact CE2-CB 4.35Å; Y185-I203 HydrophobicContact CD1-CD1 4.08Å; Y185-I203 HydrophobicContact CD2-CD1 3.79Å; Y185-I203 HydrophobicContact CG-CD1 3.47Å; Y185-I203 VanDerWaalsContact CG-CD1 3.47Å |
| 186 | Y | 94.4 | Very high | 94.6 | Very high | 98 Ų | 98 | 54.1 Ų | 54.1 | 38% | 0.384 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 177.2 | -66.8 | -18.3 | 0 | 0 | 0 | 113 | M182 Y183 R189 A190 | M182-Y186 HydrophobicContact CE-CE2 3.99Å; M182-Y186 HydrophobicContact CG-CD2 4.1Å; M182-Y186 HydrophobicContact CG-CE1 4.31Å; M182-Y186 HydrophobicContact CG-CE2 3.5Å; M182-Y186 PolarHBondContact O-N 2.86Å; M182-Y186 HydrophobicContact SD-CE2 3.75Å; Y183-Y186 HydrophobicContact CD1-CD2 4.1Å; Y183-Y186 HydrophobicContact CE1-CD2 4.38Å; Y183-Y186 PolarHBondContact O-N 3.33Å; Y186-R189 PolarHBondContact O-N 2.72Å; Y186-A190 VanDerWaalsContact O-CB 3.26Å; Y186-A190 WeakPolarHBondContact O-CB 3.38Å; Y186-A190 PolarHBondContact O-N 3.28Å |
| 187 | A | 96 | Very high | 94 | Very high | 10 Ų | 10 | 59.6 Ų | 59.6 | 8% | 0.083 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.2 | -48 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | L73 Y183 S184 R189 A190 A191 | L73-A187 HydrophobicContact CB-CB 4.29Å; Y183-A187 WeakPolarHBondContact O-CB 3.3Å; Y183-A187 PolarHBondContact O-N 2.95Å; S184-A187 PolarHBondContact O-N 3.34Å; A187-R189 PolarHBondContact O-N 2.93Å; A187-A190 PolarHBondContact O-N 3.11Å; A187-A191 WeakPolarHBondContact O-CB 3.17Å; A187-A191 PolarHBondContact O-N 2.63Å |
| 188 | A | 95.7 | Very high | 93.7 | Very high | 29 Ų | 29 | 60.6 Ų | 60.6 | 24% | 0.24 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61 | -45.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S184 Y185 A191 G192 F193 V195 | S184-A188 WeakPolarHBondContact O-CB 3.22Å; S184-A188 PolarHBondContact O-N 3.34Å; Y185-A188 PolarHBondContact O-N 2.84Å; A188-A191 PolarHBondContact O-N 2.72Å; A188-G192 PolarHBondContact O-N 2.97Å; A188-F193 HydrophobicContact CB-CB 4.49Å; A188-F193 HydrophobicContact CB-CD2 4.45Å; A188-F193 WeakPolarHBondContact O-CB 3.39Å; A188-F193 WeakPolarHBondContact O-CD2 3.46Å; A188-F193 PolarHBondContact O-N 3.42Å; A188-V195 HydrophobicContact CB-CG2 3.93Å |
| 189 | R | 93.1 | Very high | 93.5 | Very high | 123 Ų | 123 | 65.8 Ų | 65.8 | 46% | 0.464 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 177.1 | -72.2 | -67.8 | -61 | -175 | 1.9 | 112.2 | Y185 Y186 A187 A191 G192 V195 | Y185-R189 HydrophobicContact CD1-CG 4.26Å; Y185-R189 HydrophobicContact CD2-CG 4.39Å; Y185-R189 HydrophobicContact CE1-CG 3.84Å; Y185-R189 HydrophobicContact CE2-CG 3.99Å; Y185-R189 HydrophobicContact CG-CG 4.49Å; Y185-R189 WeakPolarHBondContact O-CB 3.38Å; Y185-R189 VanDerWaalsContact O-CG 3.23Å; Y185-R189 WeakPolarHBondContact O-CG 3.43Å; Y185-R189 PolarHBondContact O-N 2.78Å; Y186-R189 PolarHBondContact O-N 2.72Å; A187-R189 PolarHBondContact O-N 2.93Å; R189-A191 VanDerWaalsContact C-N 3.34Å; R189-G192 PolarHBondContact O-N 2.94Å; R189-V195 HydrophobicContact CG-CB 4.41Å; R189-V195 HydrophobicContact CG-CG2 4.03Å |
| 190 | A | 92.7 | Very high | 93.2 | Very high | 14 Ų | 14 | 66 Ų | 66 | 12% | 0.116 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.4 | -34.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R65 L68 V69 Y186 A187 G192 | R65-A190 WeakPolarHBondContact CG-O 3.27Å; R65-A190 PolarHBondContact NE-O 2.8Å; L68-A190 HydrophobicContact CD2-CB 4.02Å; L68-A190 HydrophobicContact CG-CB 3.95Å; V69-A190 HydrophobicContact CB-CB 4.44Å; V69-A190 HydrophobicContact CG2-CB 3.48Å; V69-A190 VanDerWaalsContact CG2-CB 3.48Å; V69-A190 WeakPolarHBondContact CG2-O 3.17Å; Y186-A190 VanDerWaalsContact O-CB 3.26Å; Y186-A190 WeakPolarHBondContact O-CB 3.38Å; Y186-A190 PolarHBondContact O-N 3.28Å; A187-A190 PolarHBondContact O-N 3.11Å; A190-G192 PolarHBondContact O-N 3.49Å |
| 191 | A | 93.4 | Very high | 93 | Very high | 39 Ų | 39 | 67.3 Ų | 67.3 | 32% | 0.322 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69.2 | -12.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R65 V69 A187 A188 R189 F193 | R65-A191 VanDerWaalsContact NH2-C 3.31Å; R65-A191 PolarHBondContact NH2-O 3.03Å; V69-A191 HydrophobicContact CG1-CB 4.4Å; V69-A191 HydrophobicContact CG2-CB 4.15Å; V69-A191 VanDerWaalsContact CG2-N 3.3Å; A187-A191 WeakPolarHBondContact O-CB 3.17Å; A187-A191 PolarHBondContact O-N 2.63Å; A188-A191 PolarHBondContact O-N 2.72Å; R189-A191 VanDerWaalsContact C-N 3.34Å; A191-F193 HydrophobicContact CB-CD2 3.77Å; A191-F193 HydrophobicContact CB-CE2 3.8Å |
| 192 | G | 90.8 | Very high | 92.9 | Very high | 47 Ų | 47 | 67.5 Ų | 67.5 | 49% | 0.485 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98 | 6.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A188 R189 A190 | A188-G192 PolarHBondContact O-N 2.97Å; R189-G192 PolarHBondContact O-N 2.94Å; A190-G192 PolarHBondContact O-N 3.49Å |
| 193 | F | 91.4 | Very high | 92.8 | Very high | 140 Ų | 140 | 67.7 Ų | 67.7 | 61% | 0.614 | 35% | 0.347 | S | S | * | . | trans | -68.2 | 134.8 | 174 | -64.8 | -74.2 | 0 | 0 | 0 | 110.3 | A188 A191 V195 | A188-F193 HydrophobicContact CB-CB 4.49Å; A188-F193 HydrophobicContact CB-CD2 4.45Å; A188-F193 WeakPolarHBondContact O-CB 3.39Å; A188-F193 WeakPolarHBondContact O-CD2 3.46Å; A188-F193 PolarHBondContact O-N 3.42Å; A191-F193 HydrophobicContact CB-CD2 3.77Å; A191-F193 HydrophobicContact CB-CE2 3.8Å; F193-V195 VanDerWaalsContact C-N 3.32Å; F193-V195 PolarHBondContact O-N 2.85Å | ||
| 194 | R | 87.5 | Confident | 92.7 | Very high | 242 Ų | 242 | 68 Ų | 68 | 91% | 0.913 | 35% | 0.349 | S | S | * | . | trans | -81 | 81.1 | 177 | -164.4 | 177.5 | -170.5 | 154.2 | 0.8 | 109.5 | P196 | R194-P196 WeakPolarHBondContact O-CD 3.46Š| ||
| 195 | V | 88.9 | Confident | 92.7 | Very high | 28 Ų | 28 | 68.1 Ų | 68.1 | 17% | 0.17 | 35% | 0.35 | C | S | . | . | trans | -72.2 | 129.2 | 177.8 | -168.3 | 0 | 0 | 0 | 0 | 110.6 | Y185 A188 R189 F193 F199 | Y185-V195 HydrophobicContact CD2-CB 4.15Å; Y185-V195 HydrophobicContact CD2-CG1 3.68Å; Y185-V195 HydrophobicContact CD2-CG2 4.41Å; Y185-V195 HydrophobicContact CE2-CB 3.75Å; Y185-V195 HydrophobicContact CE2-CG1 3.56Å; Y185-V195 HydrophobicContact CE2-CG2 4.37Å; A188-V195 HydrophobicContact CB-CG2 3.93Å; R189-V195 HydrophobicContact CG-CB 4.41Å; R189-V195 HydrophobicContact CG-CG2 4.03Å; F193-V195 VanDerWaalsContact C-N 3.32Å; F193-V195 PolarHBondContact O-N 2.85Å; V195-F199 HydrophobicContact CG1-CB 3.85Å; V195-F199 HydrophobicContact CG1-CD2 3.86Å; V195-F199 HydrophobicContact CG1-CG 3.97Å | ||
| 196 | P | 88 | Confident | 92.7 | Very high | 71 Ų | 71 | 67.2 Ų | 67.2 | 46% | 0.461 | 35% | 0.352 | S | S | . | . | trans | -61.4 | 150.7 | 178.6 | -24.6 | 33.7 | 0 | 0 | 0 | 113.9 | R194 P198 F199 | R194-P196 WeakPolarHBondContact O-CD 3.46Å; P196-P198 VanDerWaalsContact C-CD 3.43Å; P196-F199 HydrophobicContact CB-CD2 3.93Å; P196-F199 HydrophobicContact CB-CE2 4.22Å; P196-F199 HydrophobicContact CG-CD2 4.02Å; P196-F199 HydrophobicContact CG-CE2 3.92Å; P196-F199 PolarHBondContact O-N 3.03Å | ||
| 197 | R | 86.7 | Confident | 92.9 | Very high | 116 Ų | 116 | 63.5 Ų | 63.5 | 44% | 0.438 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -56.7 | -37.5 | 178.2 | -179.2 | 175 | 168.4 | 152.2 | -5.1 | 114.6 | F199 A200 V201 Y259 E263 | R197-F199 PolarHBondContact O-N 2.84Å; R197-A200 WeakPolarHBondContact O-CB 3.43Å; R197-A200 PolarHBondContact O-N 3.24Å; R197-V201 PolarHBondContact O-N 3.06Å; R197-Y259 PolarHBondContact NH2-O 2.84Å; R197-E263 IonicContact CZ-OE1 2.76Å; R197-E263 IonicContact NE-OE1 3.52Å; R197-E263 IonicContact NH2-OE1 3.74Å; R197-E263 PolarHBondContact NH2-OE1 3.44Å |
| 198 | P | 91.3 | Very high | 92.9 | Very high | 85 Ų | 85 | 64.7 Ų | 64.7 | 55% | 0.552 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -55.8 | -34.9 | 178.1 | -29.4 | 36.7 | 0 | 0 | 0 | 114.1 | P196 A200 V201 V202 | P196-P198 VanDerWaalsContact C-CD 3.43Å; P198-A200 VanDerWaalsContact C-N 3.33Å; P198-A200 PolarHBondContact O-N 3.37Å; P198-V201 WeakPolarHBondContact O-CB 3.4Å; P198-V201 PolarHBondContact O-N 3.43Å; P198-V202 WeakPolarHBondContact O-CG2 3.49Å; P198-V202 PolarHBondContact O-N 3.36Å |
| 199 | F | 92.5 | Very high | 93 | Very high | 120 Ų | 120 | 65.6 Ų | 65.6 | 53% | 0.526 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 176.3 | -71.2 | -83.1 | 0 | 0 | 0 | 112.1 | Y185 V195 P196 R197 V201 V202 I203 | Y185-F199 HydrophobicContact CD2-CB 4.38Å; Y185-F199 HydrophobicContact CE2-CB 4.46Å; V195-F199 HydrophobicContact CG1-CB 3.85Å; V195-F199 HydrophobicContact CG1-CD2 3.86Å; V195-F199 HydrophobicContact CG1-CG 3.97Å; P196-F199 HydrophobicContact CB-CD2 3.93Å; P196-F199 HydrophobicContact CB-CE2 4.22Å; P196-F199 HydrophobicContact CG-CD2 4.02Å; P196-F199 HydrophobicContact CG-CE2 3.92Å; P196-F199 PolarHBondContact O-N 3.03Å; R197-F199 PolarHBondContact O-N 2.84Å; F199-V201 VanDerWaalsContact C-N 3.31Å; F199-V201 PolarHBondContact O-N 3.2Å; F199-V202 PolarHBondContact O-N 3.09Å; F199-I203 WeakPolarHBondContact O-CD1 3.46Å; F199-I203 VanDerWaalsContact O-CG1 3.25Å; F199-I203 WeakPolarHBondContact O-CG1 3.24Å; F199-I203 PolarHBondContact O-N 3.37Å |
| 200 | A | 91.4 | Very high | 93.2 | Very high | 13 Ų | 13 | 60 Ų | 60 | 11% | 0.107 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y185 R197 P198 I203 T204 Y259 | Y185-A200 HydrophobicContact CE2-CB 4.35Å; R197-A200 WeakPolarHBondContact O-CB 3.43Å; R197-A200 PolarHBondContact O-N 3.24Å; P198-A200 VanDerWaalsContact C-N 3.33Å; P198-A200 PolarHBondContact O-N 3.37Å; A200-I203 PolarHBondContact O-N 3.41Å; A200-T204 PolarHBondContact O-N 3.26Å; A200-T204 PolarHBondContact O-OG1 2.88Å; A200-Y259 WeakPolarHBondContact CB-OH 3.49Å; A200-Y259 PolarHBondContact O-OH 3.19Å |
| 201 | V | 93.7 | Very high | 93.5 | Very high | 39 Ų | 39 | 59.5 Ų | 59.5 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63 | -49.3 | 174.6 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | R197 P198 F199 I203 T204 S205 F255 Y259 | R197-V201 PolarHBondContact O-N 3.06Å; P198-V201 WeakPolarHBondContact O-CB 3.4Å; P198-V201 PolarHBondContact O-N 3.43Å; F199-V201 VanDerWaalsContact C-N 3.31Å; F199-V201 PolarHBondContact O-N 3.2Å; V201-I203 VanDerWaalsContact C-N 3.32Å; V201-I203 PolarHBondContact O-N 2.9Å; V201-T204 PolarHBondContact O-N 3.02Å; V201-S205 WeakPolarHBondContact O-CB 3.22Å; V201-S205 PolarHBondContact O-N 3.05Å; V201-S205 PolarHBondContact O-OG 3.39Å; V201-F255 HydrophobicContact CG1-CE2 3.85Å; V201-F255 HydrophobicContact CG1-CZ 3.97Å; V201-Y259 HydrophobicContact CG2-CD1 3.59Å; V201-Y259 HydrophobicContact CG2-CE1 3.65Å; V201-Y259 HydrophobicContact CG2-CG 4.05Å |
| 202 | V | 95.6 | Very high | 93.7 | Very high | 94 Ų | 94 | 59.5 Ų | 59.5 | 57% | 0.57 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -57.6 | -44 | 178.3 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | P198 F199 S205 A206 | P198-V202 WeakPolarHBondContact O-CG2 3.49Å; P198-V202 PolarHBondContact O-N 3.36Å; F199-V202 PolarHBondContact O-N 3.09Å; V202-S205 PolarHBondContact O-N 2.89Å; V202-A206 WeakPolarHBondContact O-CB 3.39Å; V202-A206 PolarHBondContact O-N 3.42Å |
| 203 | I | 96 | Very high | 93.9 | Very high | 18 Ų | 18 | 61.8 Ų | 61.8 | 9% | 0.092 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 178.3 | -67.6 | 162.3 | 0 | 0 | 0 | 110.9 | L181 M182 Y185 F199 A200 V201 S205 A206 Q207 | L181-I203 HydrophobicContact CB-CG1 4.43Å; M182-I203 HydrophobicContact CB-CG2 4.11Å; M182-I203 HydrophobicContact CG-CG2 4.37Å; Y185-I203 HydrophobicContact CD1-CD1 4.08Å; Y185-I203 HydrophobicContact CD2-CD1 3.79Å; Y185-I203 HydrophobicContact CG-CD1 3.47Å; Y185-I203 VanDerWaalsContact CG-CD1 3.47Å; F199-I203 WeakPolarHBondContact O-CD1 3.46Å; F199-I203 VanDerWaalsContact O-CG1 3.25Å; F199-I203 WeakPolarHBondContact O-CG1 3.24Å; F199-I203 PolarHBondContact O-N 3.37Å; A200-I203 PolarHBondContact O-N 3.41Å; V201-I203 VanDerWaalsContact C-N 3.32Å; V201-I203 PolarHBondContact O-N 2.9Å; I203-S205 VanDerWaalsContact C-N 3.31Å; I203-S205 PolarHBondContact O-N 3.19Å; I203-A206 PolarHBondContact O-N 3.49Å; I203-Q207 WeakPolarHBondContact O-CG 3.25Å; I203-Q207 PolarHBondContact O-N 3.32Å |
| 204 | T | 94.9 | Very high | 94.2 | Very high | 7 Ų | 7 | 55.1 Ų | 55.1 | 4% | 0.043 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.5 | -36.7 | 178.8 | -48.9 | 0 | 0 | 0 | 0 | 111.5 | A200 V201 Q207 I208 F254 F255 Y259 | A200-T204 PolarHBondContact O-N 3.26Å; A200-T204 PolarHBondContact O-OG1 2.88Å; V201-T204 PolarHBondContact O-N 3.02Å; T204-Q207 WeakPolarHBondContact O-CB 3.36Å; T204-Q207 PolarHBondContact O-N 3.19Å; T204-I208 HydrophobicContact CG2-CD1 4.49Å; T204-I208 WeakPolarHBondContact O-CG1 3.07Å; T204-I208 PolarHBondContact O-N 3.36Å; T204-F254 HydrophobicContact CG2-CD1 3.91Å; T204-F254 HydrophobicContact CG2-CE1 4.1Å; T204-F255 HydrophobicContact CG2-CB 4.23Å; T204-F255 HydrophobicContact CG2-CD2 3.78Å; T204-Y259 HydrophobicContact CG2-CE2 4.16Å; T204-Y259 PolarHBondContact OG1-OH 3.44Å |
| 205 | S | 96 | Very high | 94.6 | Very high | 51 Ų | 51 | 45.5 Ų | 45.5 | 36% | 0.357 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 173 | -63.3 | 0 | 0 | 0 | 0 | 112 | V201 V202 I203 Q207 I208 A209 F255 | V201-S205 WeakPolarHBondContact O-CB 3.22Å; V201-S205 PolarHBondContact O-N 3.05Å; V201-S205 PolarHBondContact O-OG 3.39Å; V202-S205 PolarHBondContact O-N 2.89Å; I203-S205 VanDerWaalsContact C-N 3.31Å; I203-S205 PolarHBondContact O-N 3.19Å; S205-Q207 VanDerWaalsContact C-N 3.34Å; S205-Q207 PolarHBondContact O-N 3.22Å; S205-I208 PolarHBondContact O-N 2.78Å; S205-A209 WeakPolarHBondContact O-CB 3.37Å; S205-A209 PolarHBondContact O-N 3.46Å; S205-F255 WeakPolarHBondContact OG-CE2 3.46Å |
| 206 | A | 97.4 | Very high | 95 | Very high | 27 Ų | 27 | 48.3 Ų | 48.3 | 22% | 0.223 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V178 V202 I203 A209 Q210 | V178-A206 HydrophobicContact CG2-CB 4.34Å; V202-A206 WeakPolarHBondContact O-CB 3.39Å; V202-A206 PolarHBondContact O-N 3.42Å; I203-A206 PolarHBondContact O-N 3.49Å; A206-A209 PolarHBondContact O-N 3.08Å; A206-Q210 WeakPolarHBondContact O-CB 3.4Å; A206-Q210 PolarHBondContact O-N 3.47Å |
| 207 | Q | 97.3 | Very high | 95.4 | Very high | 20 Ų | 20 | 45.4 Ų | 45.4 | 9% | 0.093 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 173.1 | -72.2 | 171.9 | -38.2 | 0 | 0 | 112.1 | V178 M182 I203 T204 S205 Q210 M211 F251 | V178-Q207 HydrophobicContact CG1-CB 4.4Å; V178-Q207 HydrophobicContact CG1-CG 3.42Å; V178-Q207 VanDerWaalsContact CG1-CG 3.42Å; M182-Q207 PolarHBondContact SD-NE2 3.28Å; I203-Q207 WeakPolarHBondContact O-CG 3.25Å; I203-Q207 PolarHBondContact O-N 3.32Å; T204-Q207 WeakPolarHBondContact O-CB 3.36Å; T204-Q207 PolarHBondContact O-N 3.19Å; S205-Q207 VanDerWaalsContact C-N 3.34Å; S205-Q207 PolarHBondContact O-N 3.22Å; Q207-Q210 WeakPolarHBondContact O-CB 3.49Å; Q207-Q210 PolarHBondContact O-N 2.93Å; Q207-M211 WeakPolarHBondContact O-CG 3.43Å; Q207-M211 PolarHBondContact O-N 3.5Å; Q207-F251 HydrophobicContact CB-CD1 4.04Å; Q207-F251 HydrophobicContact CB-CE1 4.01Å; Q207-F251 HydrophobicContact CG-CE1 4.28Å; Q207-F251 VanDerWaalsContact OE1-CE1 3.29Å |
| 208 | I | 97.4 | Very high | 95.8 | Very high | 35 Ų | 35 | 40 Ų | 40 | 18% | 0.179 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.9 | -46.1 | 176.4 | -69.7 | 168.1 | 0 | 0 | 0 | 110.8 | T204 S205 Q210 M211 A212 L248 F251 F255 | T204-I208 HydrophobicContact CG2-CD1 4.49Å; T204-I208 WeakPolarHBondContact O-CG1 3.07Å; T204-I208 PolarHBondContact O-N 3.36Å; S205-I208 PolarHBondContact O-N 2.78Å; I208-Q210 VanDerWaalsContact C-N 3.27Å; I208-Q210 PolarHBondContact O-N 3.18Å; I208-M211 PolarHBondContact O-N 3.2Å; I208-M211 VanDerWaalsContact O-N 3.08Å; I208-A212 PolarHBondContact O-N 2.87Å; I208-L248 HydrophobicContact CG2-CD1 3.85Å; I208-F251 HydrophobicContact CG1-CB 3.81Å; I208-F255 HydrophobicContact CD1-CB 3.73Å; I208-F255 HydrophobicContact CD1-CD2 4.04Å; I208-F255 HydrophobicContact CD1-CG 3.99Å |
| 209 | A | 97.5 | Very high | 96 | Very high | 48 Ų | 48 | 37.9 Ų | 37.9 | 40% | 0.397 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.4 | -39.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | S205 A206 M211 A212 M213 | S205-A209 WeakPolarHBondContact O-CB 3.37Å; S205-A209 PolarHBondContact O-N 3.46Å; A206-A209 PolarHBondContact O-N 3.08Å; A209-M211 VanDerWaalsContact C-N 3.34Å; A209-M211 PolarHBondContact O-N 3.05Å; A209-A212 PolarHBondContact O-N 2.66Å; A209-M213 WeakPolarHBondContact O-CG 3.43Å; A209-M213 PolarHBondContact O-N 2.98Å |
| 210 | Q | 97.6 | Very high | 96.1 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 3% | 0.033 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.1 | -44.8 | 173.1 | -176.7 | -161 | -58.3 | 0 | 0 | 111.8 | M174 V178 A206 Q207 I208 M213 G214 | M174-Q210 HydrophobicContact CB-CG 4.18Å; M174-Q210 HydrophobicContact CE-CG 3.54Å; M174-Q210 HydrophobicContact CG-CG 3.62Å; M174-Q210 HydrophobicContact SD-CB 4.48Å; M174-Q210 HydrophobicContact SD-CG 3.5Å; M174-Q210 VanDerWaalsContact SD-CG 3.5Å; V178-Q210 HydrophobicContact CG2-CB 4.14Å; V178-Q210 HydrophobicContact CG2-CG 4.44Å; A206-Q210 WeakPolarHBondContact O-CB 3.4Å; A206-Q210 PolarHBondContact O-N 3.47Å; Q207-Q210 WeakPolarHBondContact O-CB 3.49Å; Q207-Q210 PolarHBondContact O-N 2.93Å; I208-Q210 VanDerWaalsContact C-N 3.27Å; I208-Q210 PolarHBondContact O-N 3.18Å; Q210-M213 PolarHBondContact O-N 3.2Å; Q210-G214 PolarHBondContact O-N 3.46Å |
| 211 | M | 97.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.9 | -39.4 | 179.9 | -54.1 | -46.4 | 157.1 | 0 | 0 | 112.1 | Q207 I208 A209 G214 L215 Y244 Y247 L248 F251 | Q207-M211 WeakPolarHBondContact O-CG 3.43Å; Q207-M211 PolarHBondContact O-N 3.5Å; I208-M211 PolarHBondContact O-N 3.2Å; I208-M211 VanDerWaalsContact O-N 3.08Å; A209-M211 VanDerWaalsContact C-N 3.34Å; A209-M211 PolarHBondContact O-N 3.05Å; M211-G214 PolarHBondContact O-N 2.86Å; M211-L215 PolarHBondContact O-N 3.44Å; M211-Y244 HydrophobicContact CB-CD1 4.47Å; M211-Y244 HydrophobicContact SD-CD1 3.68Å; M211-Y244 HydrophobicContact SD-CE1 3.98Å; M211-Y247 HydrophobicContact CE-CD2 4.11Å; M211-Y247 HydrophobicContact SD-CD2 3.71Å; M211-Y247 HydrophobicContact SD-CG 4.22Å; M211-L248 HydrophobicContact CB-CB 3.87Å; M211-L248 HydrophobicContact CB-CD1 4.18Å; M211-F251 HydrophobicContact CE-CD2 4.37Å; M211-F251 HydrophobicContact CE-CE2 4.11Å |
| 212 | A | 97.7 | Very high | 96.2 | Very high | 40 Ų | 40 | 36.7 Ų | 36.7 | 33% | 0.331 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.4 | -47.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I208 A209 G214 L215 T216 | I208-A212 PolarHBondContact O-N 2.87Å; A209-A212 PolarHBondContact O-N 2.66Å; A212-G214 VanDerWaalsContact C-N 3.28Å; A212-G214 PolarHBondContact O-N 3.27Å; A212-L215 PolarHBondContact O-N 3.45Å; A212-T216 PolarHBondContact O-N 2.87Å; A212-T216 PolarHBondContact O-OG1 3.49Å; A212-T216 VanDerWaalsContact O-OG1 3.13Å |
| 213 | M | 96.8 | Very high | 96.1 | Very high | 95 Ų | 95 | 39.8 Ų | 39.8 | 47% | 0.468 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.7 | -38.2 | 174.2 | -71.5 | -167.3 | -61.3 | 0 | 0 | 111.8 | M174 A209 Q210 L215 T216 V217 | M174-M213 HydrophobicContact SD-CB 4.49Å; A209-M213 WeakPolarHBondContact O-CG 3.43Å; A209-M213 PolarHBondContact O-N 2.98Å; Q210-M213 PolarHBondContact O-N 3.2Å; M213-L215 VanDerWaalsContact C-N 3.34Å; M213-L215 PolarHBondContact O-N 2.99Å; M213-T216 PolarHBondContact O-N 3.49Å; M213-V217 WeakPolarHBondContact O-CG2 3.28Å; M213-V217 PolarHBondContact O-N 3.28Å |
| 214 | G | 96.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.7 | -42 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | F171 Q210 M211 A212 S218 | F171-G214 WeakPolarHBondContact CE1-O 3.45Å; Q210-G214 PolarHBondContact O-N 3.46Å; M211-G214 PolarHBondContact O-N 2.86Å; A212-G214 VanDerWaalsContact C-N 3.28Å; A212-G214 PolarHBondContact O-N 3.27Å; G214-S218 WeakPolarHBondContact O-CB 3.42Å; G214-S218 PolarHBondContact O-N 3.41Å; G214-S218 PolarHBondContact O-OG 2.91Å |
| 215 | L | 97.3 | Very high | 95.7 | Very high | 40 Ų | 40 | 41.6 Ų | 41.6 | 21% | 0.209 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.5 | -42.9 | 173.1 | -70.2 | 173.5 | 0 | 0 | 0 | 112 | M211 A212 M213 S218 G219 T241 L245 L248 | M211-L215 PolarHBondContact O-N 3.44Å; A212-L215 PolarHBondContact O-N 3.45Å; M213-L215 VanDerWaalsContact C-N 3.34Å; M213-L215 PolarHBondContact O-N 2.99Å; L215-S218 PolarHBondContact O-N 3.24Å; L215-G219 PolarHBondContact O-N 2.92Å; L215-T241 HydrophobicContact CD2-CG2 4.06Å; L215-T241 WeakPolarHBondContact CD2-O 3.45Å; L215-L245 HydrophobicContact CD1-CD1 4.31Å; L215-L245 HydrophobicContact CD2-CB 4.1Å; L215-L248 HydrophobicContact CD1-CD2 3.69Å |
| 216 | T | 96.9 | Very high | 95.2 | Very high | 87 Ų | 87 | 45 Ų | 45 | 53% | 0.534 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.4 | -48.6 | 177.1 | -55 | 0 | 0 | 0 | 0 | 111.4 | A212 M213 S218 G219 L220 | A212-T216 PolarHBondContact O-N 2.87Å; A212-T216 PolarHBondContact O-OG1 3.49Å; A212-T216 VanDerWaalsContact O-OG1 3.13Å; M213-T216 PolarHBondContact O-N 3.49Å; T216-S218 VanDerWaalsContact C-N 3.33Å; T216-S218 PolarHBondContact O-N 2.93Å; T216-G219 PolarHBondContact O-N 3.29Å; T216-L220 HydrophobicContact CG2-CD1 4.14Å; T216-L220 HydrophobicContact CG2-CG 4.48Å; T216-L220 VanDerWaalsContact O-CG 3.31Å; T216-L220 WeakPolarHBondContact O-CG 3.45Å; T216-L220 PolarHBondContact O-N 3.47Å |
| 217 | V | 95.7 | Very high | 94.7 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 177.4 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | I103 W170 F171 M213 G219 L220 V221 | I103-V217 HydrophobicContact CG2-CG1 4.28Å; W170-V217 HydrophobicContact CB-CG1 4.45Å; W170-V217 HydrophobicContact CB-CG2 4.23Å; W170-V217 HydrophobicContact CG-CG2 4.45Å; F171-V217 HydrophobicContact CD1-CG1 4.44Å; F171-V217 HydrophobicContact CE1-CB 3.78Å; F171-V217 HydrophobicContact CE1-CG1 3.7Å; F171-V217 HydrophobicContact CE2-CG1 4.38Å; F171-V217 HydrophobicContact CZ-CB 4.12Å; F171-V217 HydrophobicContact CZ-CG1 3.66Å; M213-V217 WeakPolarHBondContact O-CG2 3.28Å; M213-V217 PolarHBondContact O-N 3.28Å; V217-G219 PolarHBondContact O-N 2.89Å; V217-L220 PolarHBondContact O-N 3Å; V217-V221 HydrophobicContact CG1-CG2 4.36Å; V217-V221 VanDerWaalsContact O-CG2 3.32Å; V217-V221 WeakPolarHBondContact O-CG2 3.23Å; V217-V221 PolarHBondContact O-N 3.1Å |
| 218 | S | 95.4 | Very high | 93.8 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 177.8 | -56.9 | 0 | 0 | 0 | 0 | 112.2 | F171 G214 L215 T216 V221 Y222 | F171-S218 WeakPolarHBondContact CZ-OG 3.23Å; G214-S218 WeakPolarHBondContact O-CB 3.42Å; G214-S218 PolarHBondContact O-N 3.41Å; G214-S218 PolarHBondContact O-OG 2.91Å; L215-S218 PolarHBondContact O-N 3.24Å; T216-S218 VanDerWaalsContact C-N 3.33Å; T216-S218 PolarHBondContact O-N 2.93Å; S218-V221 PolarHBondContact O-N 3.31Å; S218-Y222 PolarHBondContact O-N 3.39Å |
| 219 | G | 94.9 | Very high | 92.8 | Very high | 39 Ų | 39 | 53.7 Ų | 53.7 | 40% | 0.402 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.2 | -35.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L215 T216 V217 Y222 R223 | L215-G219 PolarHBondContact O-N 2.92Å; T216-G219 PolarHBondContact O-N 3.29Å; V217-G219 PolarHBondContact O-N 2.89Å; G219-Y222 PolarHBondContact O-N 2.94Å; G219-R223 WeakPolarHBondContact O-CB 3.45Å; G219-R223 PolarHBondContact O-N 2.97Å |
| 220 | L | 94.6 | Very high | 92.2 | Very high | 34 Ų | 34 | 51.6 Ų | 51.6 | 18% | 0.178 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.4 | -43.6 | 174.8 | -70.9 | 174.5 | 0 | 0 | 0 | 111.9 | F99 I103 T216 V217 Y222 R223 W224 | F99-L220 HydrophobicContact CE1-CD1 3.71Å; F99-L220 HydrophobicContact CZ-CD1 4.02Å; I103-L220 HydrophobicContact CD1-CB 4.37Å; I103-L220 HydrophobicContact CD1-CD1 3.59Å; T216-L220 HydrophobicContact CG2-CD1 4.14Å; T216-L220 HydrophobicContact CG2-CG 4.48Å; T216-L220 VanDerWaalsContact O-CG 3.31Å; T216-L220 WeakPolarHBondContact O-CG 3.45Å; T216-L220 PolarHBondContact O-N 3.47Å; V217-L220 PolarHBondContact O-N 3Å; L220-Y222 VanDerWaalsContact C-N 3.33Å; L220-Y222 PolarHBondContact O-N 2.75Å; L220-R223 PolarHBondContact O-N 3.38Å; L220-W224 HydrophobicContact CB-CE3 4.03Å; L220-W224 HydrophobicContact CB-CH2 4.1Å; L220-W224 HydrophobicContact CB-CZ3 3.78Å; L220-W224 HydrophobicContact CD1-CH2 4.05Å; L220-W224 HydrophobicContact CD1-CZ3 4.34Å; L220-W224 HydrophobicContact CD2-CH2 4.04Å; L220-W224 HydrophobicContact CD2-CZ2 3.98Å; L220-W224 HydrophobicContact CG-CH2 4.3Å; L220-W224 HydrophobicContact CG-CZ3 4.45Å; L220-W224 WeakPolarHBondContact O-CB 3.22Å; L220-W224 PolarHBondContact O-N 3.08Å |
| 221 | V | 93.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.7 | -46.7 | 173.7 | 172 | 0 | 0 | 0 | 0 | 110.1 | I103 A166 V217 S218 R223 W224 M225 I237 | I103-V221 HydrophobicContact CG2-CG2 3.48Å; I103-V221 VanDerWaalsContact CG2-CG2 3.48Å; A166-V221 HydrophobicContact CB-CG1 4.06Å; A166-V221 HydrophobicContact CB-CG2 4.28Å; V217-V221 HydrophobicContact CG1-CG2 4.36Å; V217-V221 VanDerWaalsContact O-CG2 3.32Å; V217-V221 WeakPolarHBondContact O-CG2 3.23Å; V217-V221 PolarHBondContact O-N 3.1Å; S218-V221 PolarHBondContact O-N 3.31Å; V221-R223 PolarHBondContact O-N 3.32Å; V221-W224 PolarHBondContact O-N 2.92Å; V221-M225 WeakPolarHBondContact O-CB 3.49Å; V221-M225 PolarHBondContact O-N 2.97Å; V221-I237 HydrophobicContact CG1-CD1 3.89Å; V221-I237 HydrophobicContact CG1-CG1 4.11Å |
| 222 | Y | 93.6 | Very high | 91 | Very high | 112 Ų | 112 | 56 Ų | 56 | 44% | 0.439 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -55.5 | -50.6 | 175 | 177.9 | -104.1 | 0 | 0 | 0 | 112.3 | S218 G219 L220 W224 M225 Q226 M234 | S218-Y222 PolarHBondContact O-N 3.39Å; G219-Y222 PolarHBondContact O-N 2.94Å; L220-Y222 VanDerWaalsContact C-N 3.33Å; L220-Y222 PolarHBondContact O-N 2.75Å; Y222-W224 PolarHBondContact O-N 3.44Å; Y222-M225 HydrophobicContact CD2-CE 4.48Å; Y222-M225 PolarHBondContact O-N 3.44Å; Y222-Q226 WeakPolarHBondContact O-CG 3.14Å; Y222-Q226 PolarHBondContact O-N 2.9Å; Y222-M234 HydrophobicContact CD2-CE 4.06Å; Y222-M234 HydrophobicContact CD2-SD 3.77Å; Y222-M234 HydrophobicContact CE2-CE 3.58Å; Y222-M234 HydrophobicContact CE2-SD 3.62Å |
| 223 | R | 93 | Very high | 90.5 | Very high | 158 Ų | 158 | 59.8 Ų | 59.8 | 60% | 0.596 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.6 | -44.2 | -178.4 | -176.1 | -178.3 | 177.8 | -176.3 | 0.5 | 112.2 | G219 L220 V221 | G219-R223 WeakPolarHBondContact O-CB 3.45Å; G219-R223 PolarHBondContact O-N 2.97Å; L220-R223 PolarHBondContact O-N 3.38Å; V221-R223 PolarHBondContact O-N 3.32Å |
| 224 | W | 92.2 | Very high | 90.1 | Very high | 27 Ų | 27 | 59.2 Ų | 59.2 | 10% | 0.102 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -81.2 | -23.7 | -177.1 | -64.6 | -33.4 | 0 | 0 | 0 | 113.4 | F99 R100 I103 L220 V221 Y222 Q226 Q227 G228 D229 C230 | F99-W224 HydrophobicContact CD1-CH2 4.19Å; F99-W224 HydrophobicContact CE1-CH2 4.22Å; R100-W224 HydrophobicContact CB-CH2 3.91Å; R100-W224 HydrophobicContact CB-CZ2 4.01Å; R100-W224 HydrophobicContact CB-CZ3 4.27Å; R100-W224 HydrophobicContact CG-CD2 3.78Å; R100-W224 HydrophobicContact CG-CE3 3.91Å; R100-W224 HydrophobicContact CG-CG 4.42Å; R100-W224 HydrophobicContact CG-CH2 3.9Å; R100-W224 HydrophobicContact CG-CZ2 3.76Å; R100-W224 HydrophobicContact CG-CZ3 3.97Å; R100-W224 VanDerWaalsContact NE-CD1 3.3Å; I103-W224 HydrophobicContact CB-CE3 4.44Å; I103-W224 HydrophobicContact CB-CZ3 3.79Å; I103-W224 HydrophobicContact CD1-CH2 4.04Å; I103-W224 HydrophobicContact CD1-CZ3 3.66Å; I103-W224 HydrophobicContact CG1-CZ3 4.27Å; I103-W224 HydrophobicContact CG2-CE3 4.15Å; I103-W224 HydrophobicContact CG2-CZ3 3.85Å; L220-W224 HydrophobicContact CB-CE3 4.03Å; L220-W224 HydrophobicContact CB-CH2 4.1Å; L220-W224 HydrophobicContact CB-CZ3 3.78Å; L220-W224 HydrophobicContact CD1-CH2 4.05Å; L220-W224 HydrophobicContact CD1-CZ3 4.34Å; L220-W224 HydrophobicContact CD2-CH2 4.04Å; L220-W224 HydrophobicContact CD2-CZ2 3.98Å; L220-W224 HydrophobicContact CG-CH2 4.3Å; L220-W224 HydrophobicContact CG-CZ3 4.45Å; L220-W224 WeakPolarHBondContact O-CB 3.22Å; L220-W224 PolarHBondContact O-N 3.08Å; V221-W224 PolarHBondContact O-N 2.92Å; Y222-W224 PolarHBondContact O-N 3.44Å; W224-Q226 VanDerWaalsContact C-N 3.33Å; W224-Q227 PolarHBondContact O-N 3.29Å; W224-Q227 VanDerWaalsContact O-N 3.15Å; W224-G228 PolarHBondContact O-N 3.04Å; W224-D229 PolarHBondContact O-N 3.28Å; W224-C230 HydrophobicContact CB-CB 3.91Å |
| 225 | M | 90.6 | Very high | 89.9 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 18% | 0.177 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 170 | -177.2 | -176.3 | 75.7 | 0 | 0 | 111 | V221 Y222 Q227 G228 C230 S232 M234 I237 | V221-M225 WeakPolarHBondContact O-CB 3.49Å; V221-M225 PolarHBondContact O-N 2.97Å; Y222-M225 HydrophobicContact CD2-CE 4.48Å; Y222-M225 PolarHBondContact O-N 3.44Å; M225-Q227 PolarHBondContact O-N 3.17Å; M225-G228 PolarHBondContact O-N 3.01Å; M225-G228 VanDerWaalsContact O-N 3.09Å; M225-C230 HydrophobicContact CB-CB 4.4Å; M225-C230 WeakPolarHBondContact CG-O 3.14Å; M225-S232 VanDerWaalsContact SD-O 3.39Å; M225-M234 HydrophobicContact CE-CE 3.3Å; M225-M234 HydrophobicContact CE-SD 3.93Å; M225-I237 HydrophobicContact CE-CD1 3.83Å; M225-I237 HydrophobicContact SD-CD1 3.68Å |
| 226 | Q | 86.3 | Confident | 89.7 | Confident | 122 Ų | 122 | 59.9 Ų | 59.9 | 57% | 0.57 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -20.4 | 174.9 | -65.5 | -63.2 | -33.1 | 0 | 0 | 113.3 | Y222 W224 | Y222-Q226 WeakPolarHBondContact O-CG 3.14Å; Y222-Q226 PolarHBondContact O-N 2.9Å; W224-Q226 VanDerWaalsContact C-N 3.33Å |
| 227 | Q | 86.4 | Confident | 89.5 | Confident | 99 Ų | 99 | 56.2 Ų | 56.2 | 46% | 0.463 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -3 | 178.1 | -64.3 | 177 | -10.2 | 0 | 0 | 112.9 | W224 M225 | W224-Q227 PolarHBondContact O-N 3.29Å; W224-Q227 VanDerWaalsContact O-N 3.15Å; M225-Q227 PolarHBondContact O-N 3.17Å |
| 228 | G | 79.3 | Confident | 89.4 | Confident | 67 Ų | 67 | 59 Ų | 59 | 69% | 0.691 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | -5.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | W224 M225 | W224-G228 PolarHBondContact O-N 3.04Å; M225-G228 PolarHBondContact O-N 3.01Å; M225-G228 VanDerWaalsContact O-N 3.09Å |
| 229 | D | 74.8 | Confident | 89.4 | Confident | 100 Ų | 100 | 65.9 Ų | 65.9 | 54% | 0.535 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -94.9 | 0.5 | -171.4 | -66.8 | -40.4 | 0 | 0 | 0 | 114.2 | R100 W224 | R100-D229 IonicContact CZ-OD2 3.4Å; R100-D229 IonicContact NH1-OD2 3.53Å; R100-D229 IonicContact NH2-OD2 2.67Å; R100-D229 PolarHBondContact NH2-OD2 3.37Å; W224-D229 PolarHBondContact O-N 3.28Å |
| 230 | C | 84.7 | Confident | 89.4 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.02 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -139.3 | 90.7 | -169.5 | -148.1 | 0 | 0 | 0 | 0 | 111 | C104 W224 M225 S232 | C104-C230 WeakPolarHBondContact CA-SG 3.34Å; C104-C230 HydrophobicContact CB-CB 3.86Å; C104-C230 WeakPolarHBondContact CB-SG 3.41Å; C104-C230 WeakPolarHBondContact SG-CB 3.48Å; C104-C230 CovalentContact SG-SG 2.05Å; C104-C230 PolarHBondContact SG-SG 3.05Å; W224-C230 HydrophobicContact CB-CB 3.91Å; M225-C230 HydrophobicContact CB-CB 4.4Å; M225-C230 WeakPolarHBondContact CG-O 3.14Å; C230-S232 PolarHBondContact O-N 3.05Å; C230-S232 VanDerWaalsContact O-N 3.1Å |
| 231 | P | 83.2 | Confident | 89.5 | Confident | 75 Ų | 75 | 65 Ų | 65 | 49% | 0.487 | 32% | 0.323 | S | S | . | . | trans | -68.2 | 112 | 179.7 | 27.6 | -32.7 | 0 | 0 | 0 | 109.8 | ||||
| 232 | S | 87 | Confident | 89.6 | Confident | 26 Ų | 26 | 69.2 Ų | 69.2 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | trans | -152.4 | 173.5 | 175.4 | -165.8 | 0 | 0 | 0 | 0 | 109.3 | M225 C230 | M225-S232 VanDerWaalsContact SD-O 3.39Å; C230-S232 PolarHBondContact O-N 3.05Å; C230-S232 VanDerWaalsContact O-N 3.1Å | ||
| 233 | R | 87.7 | Confident | 89.8 | Confident | 121 Ų | 121 | 64.5 Ų | 64.5 | 46% | 0.457 | 33% | 0.327 | S | S | . | . | trans | -115.3 | 138.4 | -179.4 | -52.2 | -179.4 | 96.8 | -150.8 | 2.5 | 110.2 | D163 D235 N236 I237 | D163-R233 VanDerWaalsContact CG-CD 3.45Å; D163-R233 IonicContact OD1-NH1 3.16Å; D163-R233 WeakPolarHBondContact OD2-CD 3.44Å; D163-R233 IonicContact OD2-CZ 3.5Å; D163-R233 IonicContact OD2-NH1 4Å; D163-R233 PolarHBondContact OD2-NH1 3.41Å; D163-R233 VanDerWaalsContact OD2-NH1 3.16Å; R233-D235 VanDerWaalsContact C-N 3.3Å; R233-D235 WeakPolarHBondContact CB-OD1 3.16Å; R233-D235 IonicContact NH1-OD2 3.66Å; R233-D235 PolarHBondContact O-N 3.19Å; R233-N236 PolarHBondContact O-N 3.06Å; R233-I237 WeakPolarHBondContact O-CG1 3.42Å; R233-I237 PolarHBondContact O-N 3.32Å | ||
| 234 | M | 89.4 | Confident | 89.9 | Confident | 82 Ų | 82 | 57.6 Ų | 57.6 | 40% | 0.404 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.1 | -40.1 | -175.3 | -167.8 | 63.9 | 76.6 | 0 | 0 | 112.1 | Y222 M225 N236 I237 T238 | Y222-M234 HydrophobicContact CD2-CE 4.06Å; Y222-M234 HydrophobicContact CD2-SD 3.77Å; Y222-M234 HydrophobicContact CE2-CE 3.58Å; Y222-M234 HydrophobicContact CE2-SD 3.62Å; M225-M234 HydrophobicContact CE-CE 3.3Å; M225-M234 HydrophobicContact CE-SD 3.93Å; M234-N236 VanDerWaalsContact C-N 3.34Å; M234-N236 PolarHBondContact O-N 2.72Å; M234-I237 PolarHBondContact O-N 3.44Å; M234-T238 PolarHBondContact O-N 2.54Å; M234-T238 PolarHBondContact O-OG1 2.93Å; M234-T238 VanDerWaalsContact O-OG1 3.08Å |
| 235 | D | 91.5 | Very high | 90.2 | Very high | 55 Ų | 55 | 60 Ų | 60 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -53.7 | -49.1 | 175.3 | 53.8 | 1.6 | 0 | 0 | 0 | 111.8 | Y159 R233 I237 T238 W239 | Y159-D235 WeakPolarHBondContact OH-CB 3.13Å; Y159-D235 PolarHBondContact OH-OD2 3.45Å; R233-D235 VanDerWaalsContact C-N 3.3Å; R233-D235 WeakPolarHBondContact CB-OD1 3.16Å; R233-D235 IonicContact NH1-OD2 3.66Å; R233-D235 PolarHBondContact O-N 3.19Å; D235-I237 PolarHBondContact O-N 3.44Å; D235-T238 PolarHBondContact O-N 2.88Å; D235-W239 PolarHBondContact O-N 3.42Å |
| 236 | N | 92.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 178.3 | -82.3 | -77.4 | 0 | 0 | 0 | 112.4 | Y159 S160 D163 V165 R233 M234 W239 A240 | Y159-N236 VanDerWaalsContact CD1-OD1 3.27Å; Y159-N236 WeakPolarHBondContact CD1-OD1 3.33Å; Y159-N236 WeakPolarHBondContact CE1-OD1 3.49Å; S160-N236 WeakPolarHBondContact CA-OD1 3.34Å; D163-N236 PolarHBondContact OD2-ND2 2.84Å; V165-N236 HydrophobicContact CG1-CB 4.39Å; V165-N236 HydrophobicContact CG2-CB 3.61Å; V165-N236 WeakPolarHBondContact CG2-OD1 3.17Å; R233-N236 PolarHBondContact O-N 3.06Å; M234-N236 VanDerWaalsContact C-N 3.34Å; M234-N236 PolarHBondContact O-N 2.72Å; N236-W239 PolarHBondContact O-N 3.47Å; N236-A240 VanDerWaalsContact O-CB 3.23Å; N236-A240 WeakPolarHBondContact O-CB 2.9Å; N236-A240 PolarHBondContact O-N 2.9Å |
| 237 | I | 92.8 | Very high | 91 | Very high | 10 Ų | 10 | 53.9 Ų | 53.9 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 178.5 | -62.1 | 166.1 | 0 | 0 | 0 | 110.4 | V221 M225 R233 M234 D235 A240 T241 | V221-I237 HydrophobicContact CG1-CD1 3.89Å; V221-I237 HydrophobicContact CG1-CG1 4.11Å; M225-I237 HydrophobicContact CE-CD1 3.83Å; M225-I237 HydrophobicContact SD-CD1 3.68Å; R233-I237 WeakPolarHBondContact O-CG1 3.42Å; R233-I237 PolarHBondContact O-N 3.32Å; M234-I237 PolarHBondContact O-N 3.44Å; D235-I237 PolarHBondContact O-N 3.44Å; I237-A240 PolarHBondContact O-N 3.2Å; I237-T241 WeakPolarHBondContact O-CB 3.44Å; I237-T241 PolarHBondContact O-N 3.23Å; I237-T241 PolarHBondContact O-OG1 3.32Å |
| 238 | T | 94.6 | Very high | 91.5 | Very high | 68 Ų | 68 | 50.9 Ų | 50.9 | 42% | 0.417 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.6 | -50.3 | 176.1 | -59.1 | 0 | 0 | 0 | 0 | 110.8 | M234 D235 A240 T241 L242 | M234-T238 PolarHBondContact O-N 2.54Å; M234-T238 PolarHBondContact O-OG1 2.93Å; M234-T238 VanDerWaalsContact O-OG1 3.08Å; D235-T238 PolarHBondContact O-N 2.88Å; T238-A240 PolarHBondContact O-N 3.03Å; T238-T241 PolarHBondContact O-N 3.06Å; T238-L242 HydrophobicContact CG2-CD1 4.02Å; T238-L242 HydrophobicContact CG2-CG 4.47Å; T238-L242 WeakPolarHBondContact O-CB 3.47Å; T238-L242 WeakPolarHBondContact O-CG 3.41Å; T238-L242 PolarHBondContact O-N 3.02Å |
| 239 | W | 94.8 | Very high | 92.4 | Very high | 148 Ų | 148 | 53 Ų | 53 | 56% | 0.561 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.3 | -39.4 | 178.3 | -68.2 | 125 | 0 | 0 | 0 | 112.7 | Y156 Y159 D235 N236 L242 M243 | Y156-W239 HydrophobicContact CD2-CB 4.14Å; Y156-W239 HydrophobicContact CE2-CB 4.21Å; Y159-W239 AromaticContact CE1-CD1 3.89Å; D235-W239 PolarHBondContact O-N 3.42Å; N236-W239 PolarHBondContact O-N 3.47Å; W239-L242 HydrophobicContact CE3-CD1 3.98Å; W239-L242 HydrophobicContact CZ3-CD1 4.04Å; W239-M243 VanDerWaalsContact O-CB 3.29Å; W239-M243 WeakPolarHBondContact O-CB 3.43Å; W239-M243 PolarHBondContact O-N 2.87Å |
| 240 | A | 95.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.4 | -51.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | Y156 N236 I237 T238 L242 M243 Y244 | Y156-A240 HydrophobicContact CE2-CB 3.94Å; Y156-A240 WeakPolarHBondContact OH-CB 3.21Å; N236-A240 VanDerWaalsContact O-CB 3.23Å; N236-A240 WeakPolarHBondContact O-CB 2.9Å; N236-A240 PolarHBondContact O-N 2.9Å; I237-A240 PolarHBondContact O-N 3.2Å; T238-A240 PolarHBondContact O-N 3.03Å; A240-L242 PolarHBondContact O-N 3.45Å; A240-M243 PolarHBondContact O-N 2.78Å; A240-Y244 HydrophobicContact CB-CD2 4.47Å; A240-Y244 WeakPolarHBondContact O-CB 3.4Å; A240-Y244 WeakPolarHBondContact O-CD2 3.32Å; A240-Y244 PolarHBondContact O-N 3.47Å |
| 241 | T | 95.8 | Very high | 93.9 | Very high | 52 Ų | 52 | 50.9 Ų | 50.9 | 32% | 0.319 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | -176.8 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | L215 I237 T238 M243 L245 | L215-T241 HydrophobicContact CD2-CG2 4.06Å; L215-T241 WeakPolarHBondContact CD2-O 3.45Å; I237-T241 WeakPolarHBondContact O-CB 3.44Å; I237-T241 PolarHBondContact O-N 3.23Å; I237-T241 PolarHBondContact O-OG1 3.32Å; T238-T241 PolarHBondContact O-N 3.06Å; T241-M243 PolarHBondContact O-N 3.38Å; T241-L245 WeakPolarHBondContact O-CB 3.32Å; T241-L245 PolarHBondContact O-N 2.93Å |
| 242 | L | 96.5 | Very high | 94.4 | Very high | 92 Ų | 92 | 49.6 Ų | 49.6 | 48% | 0.482 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | 177 | -71.5 | 174.1 | 0 | 0 | 0 | 112 | T238 W239 A240 S246 | T238-L242 HydrophobicContact CG2-CD1 4.02Å; T238-L242 HydrophobicContact CG2-CG 4.47Å; T238-L242 WeakPolarHBondContact O-CB 3.47Å; T238-L242 WeakPolarHBondContact O-CG 3.41Å; T238-L242 PolarHBondContact O-N 3.02Å; W239-L242 HydrophobicContact CE3-CD1 3.98Å; W239-L242 HydrophobicContact CZ3-CD1 4.04Å; A240-L242 PolarHBondContact O-N 3.45Å; L242-S246 WeakPolarHBondContact O-CB 3.37Å; L242-S246 PolarHBondContact O-N 2.97Å; L242-S246 PolarHBondContact O-OG 2.83Å |
| 243 | M | 96.5 | Very high | 94.8 | Very high | 12 Ų | 12 | 52.1 Ų | 52.1 | 6% | 0.059 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.8 | -50.8 | 178.8 | -177.5 | -168.6 | 65.1 | 0 | 0 | 111.8 | Y156 W239 A240 T241 L245 S246 Y247 | Y156-M243 HydrophobicContact CD1-CE 3.32Å; Y156-M243 HydrophobicContact CD1-SD 3.69Å; Y156-M243 HydrophobicContact CE1-CE 3.67Å; Y156-M243 HydrophobicContact CG-CE 3.92Å; Y156-M243 HydrophobicContact CG-SD 3.77Å; W239-M243 VanDerWaalsContact O-CB 3.29Å; W239-M243 WeakPolarHBondContact O-CB 3.43Å; W239-M243 PolarHBondContact O-N 2.87Å; A240-M243 PolarHBondContact O-N 2.78Å; T241-M243 PolarHBondContact O-N 3.38Å; M243-L245 VanDerWaalsContact C-N 3.32Å; M243-L245 PolarHBondContact O-N 3.27Å; M243-S246 PolarHBondContact O-N 3.13Å; M243-S246 PolarHBondContact O-OG 3.1Å; M243-Y247 HydrophobicContact CE-CE2 4.29Å; M243-Y247 HydrophobicContact CG-CD2 4.06Å; M243-Y247 HydrophobicContact CG-CE1 4Å; M243-Y247 HydrophobicContact CG-CE2 3.42Å; M243-Y247 VanDerWaalsContact CG-CE2 3.42Å; M243-Y247 WeakPolarHBondContact CG-OH 3.49Å; M243-Y247 WeakPolarHBondContact O-CD1 3.14Å; M243-Y247 PolarHBondContact O-N 2.98Å; M243-Y247 HydrophobicContact SD-CE2 3.74Å |
| 244 | Y | 96.8 | Very high | 95.1 | Very high | 13 Ų | 13 | 49.1 Ų | 49.1 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66 | -35.2 | -179.3 | -80.3 | -67 | 0 | 0 | 0 | 112.3 | F171 M174 M211 A240 L248 | F171-Y244 AromaticContact CD1-CE2 3.77Å; F171-Y244 HydrophobicContact CD1-CE2 3.77Å; F171-Y244 AromaticContact CD1-CZ 3.73Å; F171-Y244 VanDerWaalsContact CD1-OH 3.28Å; F171-Y244 WeakPolarHBondContact CD1-OH 3.48Å; F171-Y244 HydrophobicContact CE1-CD2 4.45Å; F171-Y244 AromaticContact CE1-CE2 3.68Å; F171-Y244 HydrophobicContact CE1-CE2 3.68Å; F171-Y244 HydrophobicContact CG-CE2 4.35Å; F171-Y244 HydrophobicContact CZ-CE2 4.2Å; M174-Y244 HydrophobicContact CE-CD1 4.49Å; M174-Y244 HydrophobicContact CE-CE1 3.38Å; M174-Y244 VanDerWaalsContact CE-CZ 3.47Å; M174-Y244 WeakPolarHBondContact CE-OH 3.24Å; M211-Y244 HydrophobicContact CB-CD1 4.47Å; M211-Y244 HydrophobicContact SD-CD1 3.68Å; M211-Y244 HydrophobicContact SD-CE1 3.98Å; A240-Y244 HydrophobicContact CB-CD2 4.47Å; A240-Y244 WeakPolarHBondContact O-CB 3.4Å; A240-Y244 WeakPolarHBondContact O-CD2 3.32Å; A240-Y244 PolarHBondContact O-N 3.47Å; Y244-L248 WeakPolarHBondContact O-CB 3.43Å; Y244-L248 PolarHBondContact O-N 3.34Å |
| 245 | L | 97.4 | Very high | 95.3 | Very high | 79 Ų | 79 | 47 Ų | 47 | 41% | 0.414 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.3 | -46.2 | 175.5 | -179.2 | 61.1 | 0 | 0 | 0 | 111.1 | L215 T241 M243 Y247 L248 L249 | L215-L245 HydrophobicContact CD1-CD1 4.31Å; L215-L245 HydrophobicContact CD2-CB 4.1Å; T241-L245 WeakPolarHBondContact O-CB 3.32Å; T241-L245 PolarHBondContact O-N 2.93Å; M243-L245 VanDerWaalsContact C-N 3.32Å; M243-L245 PolarHBondContact O-N 3.27Å; L245-Y247 VanDerWaalsContact C-N 3.3Å; L245-Y247 PolarHBondContact O-N 3.21Å; L245-L248 PolarHBondContact O-N 3.48Å; L245-L249 WeakPolarHBondContact O-CG 3.46Å; L245-L249 PolarHBondContact O-N 3.43Å; L245-L249 VanDerWaalsContact O-N 3.1Å |
| 246 | S | 97.6 | Very high | 95.4 | Very high | 25 Ų | 25 | 50.5 Ų | 50.5 | 18% | 0.175 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 178.2 | 76.7 | 0 | 0 | 0 | 0 | 111.2 | Y148 L242 M243 L249 L250 | Y148-S246 WeakPolarHBondContact CE1-OG 3.27Å; Y148-S246 WeakPolarHBondContact OH-CB 3.43Å; Y148-S246 PolarHBondContact OH-OG 3Å; L242-S246 WeakPolarHBondContact O-CB 3.37Å; L242-S246 PolarHBondContact O-N 2.97Å; L242-S246 PolarHBondContact O-OG 2.83Å; M243-S246 PolarHBondContact O-N 3.13Å; M243-S246 PolarHBondContact O-OG 3.1Å; S246-L249 PolarHBondContact O-N 2.98Å; S246-L250 WeakPolarHBondContact O-CB 3.39Å; S246-L250 VanDerWaalsContact O-CG 3.24Å; S246-L250 WeakPolarHBondContact O-CG 3.32Å; S246-L250 PolarHBondContact O-N 3.37Å |
| 247 | Y | 97.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 175.8 | -65.3 | -8.8 | 0 | 0 | 0 | 112.2 | Y148 H149 T152 V153 M211 M243 L245 L249 L250 F251 | Y148-Y247 HydrophobicContact CD1-CD1 4.44Å; Y148-Y247 HydrophobicContact CD1-CE1 4.09Å; Y148-Y247 AromaticContact CE1-CD1 3.97Å; Y148-Y247 HydrophobicContact CE1-CD1 3.97Å; Y148-Y247 AromaticContact CE1-CE1 3.7Å; Y148-Y247 HydrophobicContact CE1-CE1 3.7Å; H149-Y247 HydrophobicContact CB-CE1 4.24Å; H149-Y247 AromaticContact CD2-CD2 4Å; H149-Y247 AromaticContact CD2-CE2 3.54Å; H149-Y247 AromaticContact CD2-CZ 3.54Å; H149-Y247 PolarHBondContact O-OH 3.48Å; T152-Y247 WeakPolarHBondContact CB-OH 3.38Å; T152-Y247 WeakPolarHBondContact OG1-CE1 3.41Å; T152-Y247 PolarHBondContact OG1-OH 3.39Å; V153-Y247 PolarHBondContact N-OH 2.88Å; M211-Y247 HydrophobicContact CE-CD2 4.11Å; M211-Y247 HydrophobicContact SD-CD2 3.71Å; M211-Y247 HydrophobicContact SD-CG 4.22Å; M243-Y247 HydrophobicContact CE-CE2 4.29Å; M243-Y247 HydrophobicContact CG-CD2 4.06Å; M243-Y247 HydrophobicContact CG-CE1 4Å; M243-Y247 HydrophobicContact CG-CE2 3.42Å; M243-Y247 VanDerWaalsContact CG-CE2 3.42Å; M243-Y247 WeakPolarHBondContact CG-OH 3.49Å; M243-Y247 WeakPolarHBondContact O-CD1 3.14Å; M243-Y247 PolarHBondContact O-N 2.98Å; M243-Y247 HydrophobicContact SD-CE2 3.74Å; L245-Y247 VanDerWaalsContact C-N 3.3Å; L245-Y247 PolarHBondContact O-N 3.21Å; Y247-L249 VanDerWaalsContact C-N 3.29Å; Y247-L249 PolarHBondContact O-N 3.19Å; Y247-L250 PolarHBondContact O-N 2.92Å; Y247-F251 WeakPolarHBondContact O-CB 3.32Å; Y247-F251 WeakPolarHBondContact O-CD2 3.25Å; Y247-F251 PolarHBondContact O-N 3.44Å |
| 248 | L | 97.3 | Very high | 95.2 | Very high | 36 Ų | 36 | 56.3 Ų | 56.3 | 19% | 0.188 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.1 | -46.2 | 178.4 | 180 | 60.9 | 0 | 0 | 0 | 111 | I208 M211 L215 Y244 L245 S252 | I208-L248 HydrophobicContact CG2-CD1 3.85Å; M211-L248 HydrophobicContact CB-CB 3.87Å; M211-L248 HydrophobicContact CB-CD1 4.18Å; L215-L248 HydrophobicContact CD1-CD2 3.69Å; Y244-L248 WeakPolarHBondContact O-CB 3.43Å; Y244-L248 PolarHBondContact O-N 3.34Å; L245-L248 PolarHBondContact O-N 3.48Å; L248-S252 WeakPolarHBondContact O-CB 3.48Å; L248-S252 PolarHBondContact O-N 3.17Å; L248-S252 PolarHBondContact O-OG 2.86Å |
| 249 | L | 97.2 | Very high | 94.9 | Very high | 113 Ų | 113 | 54 Ų | 54 | 59% | 0.592 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.7 | -46.1 | 177.8 | -65.5 | 176.1 | 0 | 0 | 0 | 112 | L245 S246 Y247 S252 N253 | L245-L249 WeakPolarHBondContact O-CG 3.46Å; L245-L249 PolarHBondContact O-N 3.43Å; L245-L249 VanDerWaalsContact O-N 3.1Å; S246-L249 PolarHBondContact O-N 2.98Å; Y247-L249 VanDerWaalsContact C-N 3.29Å; Y247-L249 PolarHBondContact O-N 3.19Å; L249-S252 PolarHBondContact O-N 3.49Å; L249-N253 VanDerWaalsContact O-CB 3.31Å; L249-N253 WeakPolarHBondContact O-CB 3.47Å; L249-N253 PolarHBondContact O-N 3.36Å |
| 250 | L | 95.6 | Very high | 94.7 | Very high | 41 Ų | 41 | 51 Ų | 51 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.4 | -43.1 | -177.6 | -70.7 | 169.3 | 0 | 0 | 0 | 112.5 | F144 L145 Y148 S246 Y247 F254 | F144-L250 HydrophobicContact CD1-CD2 4.11Å; F144-L250 HydrophobicContact CE1-CD1 4.19Å; F144-L250 HydrophobicContact CE1-CD2 4.12Å; L145-L250 HydrophobicContact CD1-CB 3.45Å; L145-L250 VanDerWaalsContact CD1-CB 3.45Å; L145-L250 HydrophobicContact CD1-CD1 3.99Å; L145-L250 HydrophobicContact CD1-CG 4.34Å; L145-L250 HydrophobicContact CG-CB 4.44Å; Y148-L250 HydrophobicContact CD1-CD1 3.62Å; Y148-L250 HydrophobicContact CE1-CD1 3.71Å; S246-L250 WeakPolarHBondContact O-CB 3.39Å; S246-L250 VanDerWaalsContact O-CG 3.24Å; S246-L250 WeakPolarHBondContact O-CG 3.32Å; S246-L250 PolarHBondContact O-N 3.37Å; Y247-L250 PolarHBondContact O-N 2.92Å; L250-F254 WeakPolarHBondContact O-CB 3.44Å; L250-F254 PolarHBondContact O-N 2.89Å |
| 251 | F | 94.6 | Very high | 94.3 | Very high | 17 Ų | 17 | 57.2 Ų | 57.2 | 8% | 0.075 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.9 | -38.9 | 176.4 | -85.9 | -84.1 | 0 | 0 | 0 | 111.8 | L145 Q207 I208 M211 Y247 F254 F255 | L145-F251 HydrophobicContact CD1-CD2 3.78Å; L145-F251 HydrophobicContact CD1-CE2 3.66Å; L145-F251 HydrophobicContact CD1-CG 4.47Å; L145-F251 HydrophobicContact CD1-CZ 4.26Å; L145-F251 HydrophobicContact CD2-CD1 4.04Å; L145-F251 HydrophobicContact CD2-CD2 4.23Å; L145-F251 HydrophobicContact CD2-CE1 4Å; L145-F251 HydrophobicContact CD2-CE2 4.2Å; L145-F251 HydrophobicContact CD2-CG 4.16Å; L145-F251 HydrophobicContact CD2-CZ 4.08Å; L145-F251 HydrophobicContact CG-CE2 4.3Å; L145-F251 HydrophobicContact CG-CZ 4.41Å; Q207-F251 HydrophobicContact CB-CD1 4.04Å; Q207-F251 HydrophobicContact CB-CE1 4.01Å; Q207-F251 HydrophobicContact CG-CE1 4.28Å; Q207-F251 VanDerWaalsContact OE1-CE1 3.29Å; I208-F251 HydrophobicContact CG1-CB 3.81Å; M211-F251 HydrophobicContact CE-CD2 4.37Å; M211-F251 HydrophobicContact CE-CE2 4.11Å; Y247-F251 WeakPolarHBondContact O-CB 3.32Å; Y247-F251 WeakPolarHBondContact O-CD2 3.25Å; Y247-F251 PolarHBondContact O-N 3.44Å; F251-F254 PolarHBondContact O-N 2.96Å; F251-F255 WeakPolarHBondContact O-CB 3.43Å; F251-F255 PolarHBondContact O-N 3.44Å |
| 252 | S | 95.6 | Very high | 93.3 | Very high | 48 Ų | 48 | 62.5 Ų | 62.5 | 34% | 0.336 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 175 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | L248 L249 F255 Y256 | L248-S252 WeakPolarHBondContact O-CB 3.48Å; L248-S252 PolarHBondContact O-N 3.17Å; L248-S252 PolarHBondContact O-OG 2.86Å; L249-S252 PolarHBondContact O-N 3.49Å; S252-F255 PolarHBondContact O-N 3.29Å; S252-Y256 WeakPolarHBondContact O-CB 3.5Å; S252-Y256 PolarHBondContact O-N 3.49Å |
| 253 | N | 95.2 | Very high | 92.2 | Very high | 78 Ų | 78 | 61.9 Ų | 61.9 | 42% | 0.417 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 173.9 | 176 | 54.4 | 0 | 0 | 0 | 111.7 | L249 F255 Y256 Q257 | L249-N253 VanDerWaalsContact O-CB 3.31Å; L249-N253 WeakPolarHBondContact O-CB 3.47Å; L249-N253 PolarHBondContact O-N 3.36Å; N253-F255 VanDerWaalsContact C-N 3.35Å; N253-F255 PolarHBondContact O-N 3.38Å; N253-Y256 PolarHBondContact O-N 2.05Å; N253-Q257 PolarHBondContact ND2-NE2 2.84Å; N253-Q257 WeakPolarHBondContact O-CB 3.09Å; N253-Q257 VanDerWaalsContact O-CG 3.3Å; N253-Q257 WeakPolarHBondContact O-CG 3.01Å; N253-Q257 PolarHBondContact O-N 2.9Å; N253-Q257 PolarHBondContact OD1-NE2 3.09Å |
| 254 | F | 93.7 | Very high | 90.9 | Very high | 58 Ų | 58 | 64.2 Ų | 64.2 | 25% | 0.254 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 174.9 | 172.7 | -97.8 | 0 | 0 | 0 | 112.1 | L143 L145 T204 L250 F251 Q257 T258 | L143-F254 HydrophobicContact CD1-CD2 4.28Å; L143-F254 HydrophobicContact CD1-CE2 3.91Å; L145-F254 HydrophobicContact CD2-CB 4.18Å; L145-F254 HydrophobicContact CD2-CG 4.42Å; T204-F254 HydrophobicContact CG2-CD1 3.91Å; T204-F254 HydrophobicContact CG2-CE1 4.1Å; L250-F254 WeakPolarHBondContact O-CB 3.44Å; L250-F254 PolarHBondContact O-N 2.89Å; F251-F254 PolarHBondContact O-N 2.96Å; F254-Q257 PolarHBondContact O-N 3.13Å; F254-T258 WeakPolarHBondContact CE2-OG1 3.31Å; F254-T258 HydrophobicContact CZ-CG2 4.34Å; F254-T258 WeakPolarHBondContact O-CB 2.97Å; F254-T258 PolarHBondContact O-N 3.2Å; F254-T258 PolarHBondContact O-OG1 3.2Å |
| 255 | F | 93.3 | Very high | 89.5 | Confident | 37 Ų | 37 | 69.5 Ų | 69.5 | 16% | 0.162 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 178.2 | -174.1 | -82.1 | 0 | 0 | 0 | 111.6 | V201 T204 S205 I208 F251 S252 N253 Q257 T258 Y259 L260 | V201-F255 HydrophobicContact CG1-CE2 3.85Å; V201-F255 HydrophobicContact CG1-CZ 3.97Å; T204-F255 HydrophobicContact CG2-CB 4.23Å; T204-F255 HydrophobicContact CG2-CD2 3.78Å; S205-F255 WeakPolarHBondContact OG-CE2 3.46Å; I208-F255 HydrophobicContact CD1-CB 3.73Å; I208-F255 HydrophobicContact CD1-CD2 4.04Å; I208-F255 HydrophobicContact CD1-CG 3.99Å; F251-F255 WeakPolarHBondContact O-CB 3.43Å; F251-F255 PolarHBondContact O-N 3.44Å; S252-F255 PolarHBondContact O-N 3.29Å; N253-F255 VanDerWaalsContact C-N 3.35Å; N253-F255 PolarHBondContact O-N 3.38Å; F255-Q257 PolarHBondContact O-N 2.94Å; F255-T258 PolarHBondContact O-N 3.27Å; F255-Y259 HydrophobicContact CB-CD2 4.4Å; F255-Y259 HydrophobicContact CD1-CD2 4.4Å; F255-Y259 AromaticContact CD2-CD2 3.5Å; F255-Y259 HydrophobicContact CD2-CD2 3.5Å; F255-Y259 VanDerWaalsContact CD2-CD2 3.5Å; F255-Y259 AromaticContact CD2-CE2 3.86Å; F255-Y259 HydrophobicContact CD2-CE2 3.86Å; F255-Y259 AromaticContact CE2-CD2 3.74Å; F255-Y259 HydrophobicContact CE2-CD2 3.74Å; F255-Y259 HydrophobicContact CE2-CE2 4.2Å; F255-Y259 AromaticContact CG-CD2 3.85Å; F255-Y259 HydrophobicContact CG-CD2 3.85Å; F255-Y259 HydrophobicContact CZ-CD2 4.28Å; F255-Y259 PolarHBondContact O-N 3.44Å; F255-L260 HydrophobicContact CD1-CD1 4.24Å; F255-L260 HydrophobicContact CD1-CG 4.25Å; F255-L260 HydrophobicContact CE1-CD1 4.15Å; F255-L260 HydrophobicContact CE1-CD2 4.25Å; F255-L260 HydrophobicContact CE1-CG 4Å |
| 256 | Y | 93.4 | Very high | 88.2 | Confident | 130 Ų | 130 | 68.8 Ų | 68.8 | 51% | 0.51 | 34% | 0.341 | S | S | . | . | I | π-helix | trans | -58 | -48.4 | 177 | 176.8 | -97.8 | 0 | 0 | 0 | 111.8 | S252 N253 T258 L260 R261 | S252-Y256 WeakPolarHBondContact O-CB 3.5Å; S252-Y256 PolarHBondContact O-N 3.49Å; N253-Y256 PolarHBondContact O-N 2.05Å; Y256-T258 PolarHBondContact O-N 3.09Å; Y256-L260 HydrophobicContact CD2-CB 4.2Å; Y256-L260 HydrophobicContact CD2-CD1 4.06Å; Y256-L260 PolarHBondContact O-N 3.23Å; Y256-R261 HydrophobicContact CE1-CB 4.36Å; Y256-R261 WeakPolarHBondContact O-CB 3.15Å; Y256-R261 PolarHBondContact O-N 3.42Å |
| 257 | Q | 91.2 | Very high | 86.5 | Confident | 97 Ų | 97 | 76.1 Ų | 76.1 | 45% | 0.453 | 37% | 0.37 | S | S | . | . | I | π-helix | trans | -67.8 | -37 | -178.7 | -68.8 | -174.1 | 19.2 | 0 | 0 | 113 | N253 F254 F255 | N253-Q257 PolarHBondContact ND2-NE2 2.84Å; N253-Q257 WeakPolarHBondContact O-CB 3.09Å; N253-Q257 VanDerWaalsContact O-CG 3.3Å; N253-Q257 WeakPolarHBondContact O-CG 3.01Å; N253-Q257 PolarHBondContact O-N 2.9Å; N253-Q257 PolarHBondContact OD1-NE2 3.09Å; F254-Q257 PolarHBondContact O-N 3.13Å; F255-Q257 PolarHBondContact O-N 2.94Å |
| 258 | T | 88.9 | Confident | 84.9 | Confident | 34 Ų | 34 | 80.6 Ų | 80.6 | 21% | 0.209 | 40% | 0.402 | C | S | . | . | I | π-helix | trans | -86.4 | -40.6 | -171.3 | -56.6 | 0 | 0 | 0 | 0 | 112.8 | F254 F255 Y256 R262 | F254-T258 WeakPolarHBondContact CE2-OG1 3.31Å; F254-T258 HydrophobicContact CZ-CG2 4.34Å; F254-T258 WeakPolarHBondContact O-CB 2.97Å; F254-T258 PolarHBondContact O-N 3.2Å; F254-T258 PolarHBondContact O-OG1 3.2Å; F255-T258 PolarHBondContact O-N 3.27Å; Y256-T258 PolarHBondContact O-N 3.09Å; T258-R262 VanDerWaalsContact O-CD 3.26Å; T258-R262 WeakPolarHBondContact O-CD 3.46Å |
| 259 | Y | 89.7 | Confident | 82.5 | Confident | 20 Ų | 20 | 89.5 Ų | 89.5 | 8% | 0.078 | 44% | 0.442 | C | S | . | . | I | π-helix | trans | -104.9 | -55 | -172.1 | -57.2 | -64.2 | 0 | 0 | 0 | 111.7 | R197 A200 V201 T204 F255 E263 | R197-Y259 PolarHBondContact NH2-O 2.84Å; A200-Y259 WeakPolarHBondContact CB-OH 3.49Å; A200-Y259 PolarHBondContact O-OH 3.19Å; V201-Y259 HydrophobicContact CG2-CD1 3.59Å; V201-Y259 HydrophobicContact CG2-CE1 3.65Å; V201-Y259 HydrophobicContact CG2-CG 4.05Å; T204-Y259 HydrophobicContact CG2-CE2 4.16Å; T204-Y259 PolarHBondContact OG1-OH 3.44Å; F255-Y259 HydrophobicContact CB-CD2 4.4Å; F255-Y259 HydrophobicContact CD1-CD2 4.4Å; F255-Y259 AromaticContact CD2-CD2 3.5Å; F255-Y259 HydrophobicContact CD2-CD2 3.5Å; F255-Y259 VanDerWaalsContact CD2-CD2 3.5Å; F255-Y259 AromaticContact CD2-CE2 3.86Å; F255-Y259 HydrophobicContact CD2-CE2 3.86Å; F255-Y259 AromaticContact CE2-CD2 3.74Å; F255-Y259 HydrophobicContact CE2-CD2 3.74Å; F255-Y259 HydrophobicContact CE2-CE2 4.2Å; F255-Y259 AromaticContact CG-CD2 3.85Å; F255-Y259 HydrophobicContact CG-CD2 3.85Å; F255-Y259 HydrophobicContact CZ-CD2 4.28Å; F255-Y259 PolarHBondContact O-N 3.44Å; Y259-E263 WeakPolarHBondContact O-CB 3.49Å; Y259-E263 VanDerWaalsContact O-CG 3.24Å; Y259-E263 WeakPolarHBondContact O-CG 3.47Å; Y259-E263 PolarHBondContact O-N 3.4Å |
| 260 | L | 89.3 | Confident | 81.8 | Confident | 85 Ų | 85 | 88.3 Ų | 88.3 | 45% | 0.445 | 44% | 0.435 | S | S | . | . | I | π-helix | trans | -75.1 | -51.8 | -172.6 | -59.2 | 179.3 | 0 | 0 | 0 | 112.9 | F255 Y256 R262 E263 A264 | F255-L260 HydrophobicContact CD1-CD1 4.24Å; F255-L260 HydrophobicContact CD1-CG 4.25Å; F255-L260 HydrophobicContact CE1-CD1 4.15Å; F255-L260 HydrophobicContact CE1-CD2 4.25Å; F255-L260 HydrophobicContact CE1-CG 4Å; Y256-L260 HydrophobicContact CD2-CB 4.2Å; Y256-L260 HydrophobicContact CD2-CD1 4.06Å; Y256-L260 PolarHBondContact O-N 3.23Å; L260-R262 VanDerWaalsContact C-N 3.31Å; L260-R262 PolarHBondContact O-N 3.48Å; L260-E263 PolarHBondContact O-N 2.92Å; L260-A264 PolarHBondContact O-N 3.26Å |
| 261 | R | 86.8 | Confident | 81.1 | Confident | 132 Ų | 132 | 90.8 Ų | 90.8 | 50% | 0.498 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.6 | -36 | -177.5 | -171.8 | 177.2 | -177.1 | -170.4 | 1.8 | 112.4 | Y256 K265 | Y256-R261 HydrophobicContact CE1-CB 4.36Å; Y256-R261 WeakPolarHBondContact O-CB 3.15Å; Y256-R261 PolarHBondContact O-N 3.42Å; R261-K265 PolarHBondContact O-N 3Å |
| 262 | R | 75.3 | Confident | 80.3 | Confident | 163 Ų | 163 | 94.9 Ų | 94.9 | 62% | 0.615 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -68.9 | -40.4 | 176.4 | -85.4 | -179.5 | 153.7 | -175.4 | -4.7 | 112.1 | T258 L260 K265 A266 | T258-R262 VanDerWaalsContact O-CD 3.26Å; T258-R262 WeakPolarHBondContact O-CD 3.46Å; L260-R262 VanDerWaalsContact C-N 3.31Å; L260-R262 PolarHBondContact O-N 3.48Å; R262-K265 PolarHBondContact O-N 3.5Å; R262-A266 WeakPolarHBondContact O-CB 3.2Å; R262-A266 PolarHBondContact O-N 3Å |
| 263 | E | 74.3 | Confident | 79.4 | Confident | 79 Ų | 79 | 97.6 Ų | 97.6 | 37% | 0.369 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.3 | -39.1 | 176 | -77.3 | 169 | -157.1 | 0 | 0 | 112 | R197 Y259 L260 K265 A266 K267 | R197-E263 IonicContact CZ-OE1 2.76Å; R197-E263 IonicContact NE-OE1 3.52Å; R197-E263 IonicContact NH2-OE1 3.74Å; R197-E263 PolarHBondContact NH2-OE1 3.44Å; Y259-E263 WeakPolarHBondContact O-CB 3.49Å; Y259-E263 VanDerWaalsContact O-CG 3.24Å; Y259-E263 WeakPolarHBondContact O-CG 3.47Å; Y259-E263 PolarHBondContact O-N 3.4Å; L260-E263 PolarHBondContact O-N 2.92Å; E263-K265 VanDerWaalsContact C-N 3.32Å; E263-K265 PolarHBondContact O-N 3.31Å; E263-A266 PolarHBondContact O-N 3.1Å; E263-K267 WeakPolarHBondContact O-CG 3.21Å; E263-K267 PolarHBondContact O-N 2.67Å |
| 264 | A | 68.1 | Low | 78.4 | Confident | 61 Ų | 61 | 98.9 Ų | 98.9 | 50% | 0.504 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L260 K267 S268 | L260-A264 PolarHBondContact O-N 3.26Å; A264-K267 PolarHBondContact O-N 3.41Å; A264-S268 PolarHBondContact O-N 3.44Å; A264-S268 PolarHBondContact O-OG 3.41Å |
| 265 | K | 67.1 | Low | 77.4 | Confident | 124 Ų | 124 | 101.6 Ų | 101.6 | 54% | 0.539 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.6 | -35.9 | 175.1 | -75.1 | -171.6 | 175.1 | -165.8 | 0 | 113.6 | R261 R262 E263 K267 S268 Q269 | R261-K265 PolarHBondContact O-N 3Å; R262-K265 PolarHBondContact O-N 3.5Å; E263-K265 VanDerWaalsContact C-N 3.32Å; E263-K265 PolarHBondContact O-N 3.31Å; K265-K267 VanDerWaalsContact C-N 3.31Å; K265-S268 PolarHBondContact O-N 3.5Å; K265-S268 PolarHBondContact O-OG 3.15Å; K265-S268 VanDerWaalsContact O-OG 3.08Å; K265-Q269 PolarHBondContact O-N 3.46Å |
| 266 | A | 70.1 | Confident | 76.3 | Confident | 63 Ų | 63 | 106.2 Ų | 106.2 | 52% | 0.521 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73 | -24.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R262 E263 | R262-A266 WeakPolarHBondContact O-CB 3.2Å; R262-A266 PolarHBondContact O-N 3Å; E263-A266 PolarHBondContact O-N 3.1Å |
| 267 | K | 63.8 | Low | 75 | Confident | 180 Ų | 180 | 104.4 Ų | 104.4 | 78% | 0.783 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -85.3 | -18.7 | 173.3 | -71.4 | -178.5 | -180 | -176.6 | 0 | 113.4 | E263 A264 K265 | E263-K267 WeakPolarHBondContact O-CG 3.21Å; E263-K267 PolarHBondContact O-N 2.67Å; A264-K267 PolarHBondContact O-N 3.41Å; K265-K267 VanDerWaalsContact C-N 3.31Å |
| 268 | S | 62 | Low | 73.6 | Confident | 96 Ų | 96 | 105 Ų | 105 | 67% | 0.671 | 52% | 0.523 | S | S | * | . | trans | -93.3 | 0.6 | 177.7 | 73.6 | 0 | 0 | 0 | 0 | 113.6 | A264 K265 | A264-S268 PolarHBondContact O-N 3.44Å; A264-S268 PolarHBondContact O-OG 3.41Å; K265-S268 PolarHBondContact O-N 3.5Å; K265-S268 PolarHBondContact O-OG 3.15Å; K265-S268 VanDerWaalsContact O-OG 3.08Å | ||
| 269 | Q | 48 | Very low | 72.2 | Confident | 223 Ų | 223 | 111.5 Ų | 111.5 | 100% | 1.042 | 55% | 0.551 | S | S | * | * | trans | -110.1 | 0 | 171.8 | -76.3 | -173.7 | -38.1 | 0 | 0 | 108.5 | K265 | K265-Q269 PolarHBondContact O-N 3.46Š|
Retrieved 269 of 269 residues in 617.7 ms
(Link to these results)