| 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 | 38.4 | Very low | 40.6 | Very low | 249 Ų | 249 | 167.3 Ų | 167.3 | 100% | 1.227 | 86% | 0.861 | S | S | * | * | 0 | 98 | 0 | -88.7 | 163.3 | 149.7 | 0 | 0 | 108.5 | |||||
| 2 | R | 32.9 | Very low | 41.9 | Very low | 247 Ų | 247 | 162.9 Ų | 162.9 | 93% | 0.932 | 85% | 0.851 | S | S | * | * | trans | -97.2 | 115.7 | 171.5 | -87.6 | 179.5 | 174.5 | 170.4 | -2.3 | 107.3 | T4 | R2-T4 PolarHBondContact O-N 3.08Š| ||
| 3 | T | 35.2 | Very low | 43 | Very low | 145 Ų | 145 | 162.2 Ų | 162.2 | 89% | 0.89 | 84% | 0.844 | S | S | * | * | trans | -72.1 | 114 | 170.3 | 36.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4 | T | 37.8 | Very low | 44.3 | Very low | 138 Ų | 138 | 159.5 Ų | 159.5 | 85% | 0.847 | 83% | 0.831 | S | S | * | * | trans | -73.7 | 122.2 | 169.6 | 39.1 | 0 | 0 | 0 | 0 | 109.4 | R2 | R2-T4 PolarHBondContact O-N 3.08Š| ||
| 5 | R | 38.9 | Very low | 45.7 | Very low | 249 Ų | 249 | 151.9 Ų | 151.9 | 94% | 0.94 | 81% | 0.807 | S | S | * | * | trans | -72.9 | 120.7 | 169 | -120.7 | 174.4 | 175.6 | 174.9 | -2.6 | 107.1 | D7 | R5-D7 PolarHBondContact O-N 3.3Š| ||
| 6 | S | 38.3 | Very low | 47.2 | Very low | 104 Ų | 104 | 152.5 Ų | 152.5 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -74.7 | 115 | 173.3 | 65.8 | 0 | 0 | 0 | 0 | 109.5 | R8 | S6-R8 PolarHBondContact O-N 2.92Š| ||
| 7 | D | 39.2 | Very low | 48.7 | Very low | 161 Ų | 161 | 151.8 Ų | 151.8 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -62.6 | 118.2 | 163.5 | -87.6 | -33.5 | 0 | 0 | 0 | 109.2 | R5 S9 | R5-D7 PolarHBondContact O-N 3.3Å; D7-S9 PolarHBondContact O-N 2.91Å; D7-S9 VanDerWaalsContact O-N 3.14Å | ||
| 8 | R | 42.2 | Very low | 50.7 | Low | 243 Ų | 243 | 147.7 Ų | 147.7 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | trans | -75.2 | 96.3 | 169 | -76.3 | -178.2 | 175.3 | -173.4 | -1.7 | 107.8 | S6 S10 | S6-R8 PolarHBondContact O-N 2.92Å; R8-S10 PolarHBondContact O-N 2.73Å | ||
| 9 | S | 44.9 | Very low | 52.7 | Low | 108 Ų | 108 | 146.5 Ų | 146.5 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 116.4 | 164.7 | 48.9 | 0 | 0 | 0 | 0 | 109.4 | D7 S11 | D7-S9 PolarHBondContact O-N 2.91Å; D7-S9 VanDerWaalsContact O-N 3.14Å; S9-S11 PolarHBondContact O-N 3.12Å |
| 10 | S | 47.8 | Very low | 54.6 | Low | 115 Ų | 115 | 144 Ų | 144 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 118.9 | 171.9 | 50.4 | 0 | 0 | 0 | 0 | 109.8 | R8 | R8-S10 PolarHBondContact O-N 2.73Š|
| 11 | S | 51.3 | Low | 56.4 | Low | 81 Ų | 81 | 141.1 Ų | 141.1 | 57% | 0.566 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 136 | -177 | -55.4 | 0 | 0 | 0 | 0 | 112.3 | S9 M13 N14 | S9-S11 PolarHBondContact O-N 3.12Å; S11-M13 PolarHBondContact O-N 3.06Å; S11-N14 WeakPolarHBondContact O-CB 3.46Å; S11-N14 PolarHBondContact O-N 3.32Å |
| 12 | P | 56.5 | Low | 59 | Low | 115 Ų | 115 | 134.6 Ų | 134.6 | 75% | 0.747 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -58.4 | -23.7 | -177.9 | -24.1 | 31.9 | 0 | 0 | 0 | 115.2 | N14 | P12-N14 VanDerWaalsContact C-N 3.3Å; P12-N14 PolarHBondContact O-N 2.81Å |
| 13 | M | 55.9 | Low | 61.9 | Low | 153 Ų | 153 | 127.2 Ų | 127.2 | 75% | 0.754 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -68.9 | -28.5 | 178.6 | -62.3 | -135 | 80 | 0 | 0 | 112.8 | S11 Q17 | S11-M13 PolarHBondContact O-N 3.06Å; M13-Q17 PolarHBondContact O-N 3.03Å |
| 14 | N | 60.7 | Low | 64.8 | Low | 125 Ų | 125 | 126.1 Ų | 126.1 | 67% | 0.668 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -72.2 | -33.8 | -178.1 | -153.8 | 33.8 | 0 | 0 | 0 | 111.9 | S11 P12 D18 | S11-N14 WeakPolarHBondContact O-CB 3.46Å; S11-N14 PolarHBondContact O-N 3.32Å; P12-N14 VanDerWaalsContact C-N 3.3Å; P12-N14 PolarHBondContact O-N 2.81Å; N14-D18 WeakPolarHBondContact O-CB 3.3Å; N14-D18 PolarHBondContact O-N 2.85Å; N14-D18 VanDerWaalsContact O-N 3.12Å |
| 15 | G | 66.3 | Low | 67.6 | Low | 45 Ų | 45 | 128.1 Ų | 128.1 | 46% | 0.464 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -72.6 | -37.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | W19 | G15-W19 WeakPolarHBondContact O-CB 3.46Å; G15-W19 PolarHBondContact O-N 3.04Å |
| 16 | K | 69.4 | Low | 70.4 | Confident | 162 Ų | 162 | 117.2 Ų | 117.2 | 70% | 0.704 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.7 | -41.4 | 176.3 | -75.7 | -174.4 | 176 | -177.9 | 0 | 112.1 | E20 | K16-E20 PolarHBondContact O-N 3.26Å |
| 17 | Q | 73.1 | Confident | 73.2 | Confident | 141 Ų | 141 | 114.5 Ų | 114.5 | 66% | 0.659 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -71.9 | -35.1 | -179.6 | -167.9 | 155.8 | -12.7 | 0 | 0 | 112.3 | M13 T21 | M13-Q17 PolarHBondContact O-N 3.03Å; Q17-T21 WeakPolarHBondContact O-CB 3.22Å; Q17-T21 PolarHBondContact O-N 3.11Å; Q17-T21 VanDerWaalsContact O-N 3.11Å; Q17-T21 PolarHBondContact O-OG1 3.47Å |
| 18 | D | 84.8 | Confident | 75.9 | Confident | 78 Ų | 78 | 109.4 Ų | 109.4 | 42% | 0.417 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.5 | -46.9 | 171.8 | -177.8 | 48.4 | 0 | 0 | 0 | 111.9 | N14 E20 T21 K22 | N14-D18 WeakPolarHBondContact O-CB 3.3Å; N14-D18 PolarHBondContact O-N 2.85Å; N14-D18 VanDerWaalsContact O-N 3.12Å; D18-E20 PolarHBondContact O-N 3.31Å; D18-T21 PolarHBondContact O-N 3.33Å; D18-K22 WeakPolarHBondContact O-CG 3.36Å; D18-K22 PolarHBondContact O-N 3.36Å; D18-K22 IonicContact OD1-NZ 3Å; D18-K22 VanDerWaalsContact OD2-CE 3.23Å; D18-K22 WeakPolarHBondContact OD2-CE 3.33Å; D18-K22 IonicContact OD2-NZ 3.01Å; D18-K22 PolarHBondContact OD2-NZ 3.39Å |
| 19 | W | 87.2 | Confident | 78.6 | Confident | 124 Ų | 124 | 100.3 Ų | 100.3 | 47% | 0.47 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.5 | -47.6 | 175 | 165.2 | -106.6 | 0 | 0 | 0 | 112.3 | G15 T21 K22 R23 L55 | G15-W19 WeakPolarHBondContact O-CB 3.46Å; G15-W19 PolarHBondContact O-N 3.04Å; W19-T21 VanDerWaalsContact C-N 3.25Å; W19-T21 PolarHBondContact O-N 3.03Å; W19-K22 PolarHBondContact O-N 3.15Å; W19-R23 WeakPolarHBondContact O-CB 3.42Å; W19-R23 PolarHBondContact O-N 2.93Å; W19-L55 HydrophobicContact CH2-CD2 4.42Å |
| 20 | E | 90.8 | Very high | 81.1 | Confident | 97 Ų | 97 | 95.2 Ų | 95.2 | 45% | 0.453 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.1 | -34.1 | -178.1 | -159.8 | -176.8 | 149.7 | 0 | 0 | 111.8 | K16 D18 K24 | K16-E20 PolarHBondContact O-N 3.26Å; D18-E20 PolarHBondContact O-N 3.31Å; E20-K24 WeakPolarHBondContact O-CB 3.45Å; E20-K24 WeakPolarHBondContact O-CG 3.28Å; E20-K24 PolarHBondContact O-N 3.45Å; E20-K24 WeakPolarHBondContact OE1-CE 3.42Å; E20-K24 IonicContact OE1-NZ 3.74Å; E20-K24 PolarHBondContact OE1-NZ 3.32Å |
| 21 | T | 93 | Very high | 83.4 | Confident | 84 Ų | 84 | 93.8 Ų | 93.8 | 52% | 0.515 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67 | -46.8 | 174.3 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | Q17 D18 W19 R23 K24 R25 | Q17-T21 WeakPolarHBondContact O-CB 3.22Å; Q17-T21 PolarHBondContact O-N 3.11Å; Q17-T21 VanDerWaalsContact O-N 3.11Å; Q17-T21 PolarHBondContact O-OG1 3.47Å; D18-T21 PolarHBondContact O-N 3.33Å; W19-T21 VanDerWaalsContact C-N 3.25Å; W19-T21 PolarHBondContact O-N 3.03Å; T21-R23 VanDerWaalsContact C-N 3.34Å; T21-R23 PolarHBondContact O-N 2.92Å; T21-K24 PolarHBondContact O-N 3.26Å; T21-R25 WeakPolarHBondContact O-CB 3.35Å; T21-R25 PolarHBondContact O-N 3.4Å |
| 22 | K | 93.3 | Very high | 85.6 | Confident | 112 Ų | 112 | 95.9 Ų | 95.9 | 49% | 0.487 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.6 | -44.5 | 174.2 | -74.1 | 170.5 | 175.3 | 165.7 | 0 | 111.7 | D18 W19 R25 K26 | D18-K22 WeakPolarHBondContact O-CG 3.36Å; D18-K22 PolarHBondContact O-N 3.36Å; D18-K22 IonicContact OD1-NZ 3Å; D18-K22 VanDerWaalsContact OD2-CE 3.23Å; D18-K22 WeakPolarHBondContact OD2-CE 3.33Å; D18-K22 IonicContact OD2-NZ 3.01Å; D18-K22 PolarHBondContact OD2-NZ 3.39Å; W19-K22 PolarHBondContact O-N 3.15Å; K22-R25 PolarHBondContact O-N 3.09Å; K22-K26 WeakPolarHBondContact O-CB 3.43Å; K22-K26 PolarHBondContact O-N 2.63Å |
| 23 | R | 94.4 | Very high | 87.6 | Confident | 91 Ų | 91 | 90.6 Ų | 90.6 | 34% | 0.343 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.8 | -48.7 | 176.8 | -174.4 | -179.5 | 177.3 | -87.3 | -3 | 111.6 | W19 T21 R25 K26 I27 L55 | W19-R23 WeakPolarHBondContact O-CB 3.42Å; W19-R23 PolarHBondContact O-N 2.93Å; T21-R23 VanDerWaalsContact C-N 3.34Å; T21-R23 PolarHBondContact O-N 2.92Å; R23-R25 VanDerWaalsContact C-N 3.33Å; R23-R25 PolarHBondContact O-N 2.93Å; R23-K26 PolarHBondContact O-N 3.32Å; R23-I27 HydrophobicContact CG-CD1 4.16Å; R23-I27 WeakPolarHBondContact O-CG1 3.4Å; R23-I27 PolarHBondContact O-N 3.26Å; R23-L55 HydrophobicContact CG-CD1 3.98Å |
| 24 | K | 95.2 | Very high | 89.4 | Confident | 122 Ų | 122 | 85 Ų | 85 | 53% | 0.53 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 178.1 | -76.7 | 172.2 | -174.4 | 162.8 | 0 | 111.7 | E20 T21 I27 A28 | E20-K24 WeakPolarHBondContact O-CB 3.45Å; E20-K24 WeakPolarHBondContact O-CG 3.28Å; E20-K24 PolarHBondContact O-N 3.45Å; E20-K24 WeakPolarHBondContact OE1-CE 3.42Å; E20-K24 IonicContact OE1-NZ 3.74Å; E20-K24 PolarHBondContact OE1-NZ 3.32Å; T21-K24 PolarHBondContact O-N 3.26Å; K24-I27 PolarHBondContact O-N 3.02Å; K24-A28 PolarHBondContact O-N 3.14Å |
| 25 | R | 96.3 | Very high | 91.1 | Very high | 180 Ų | 180 | 83.4 Ų | 83.4 | 68% | 0.679 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.5 | -47.7 | 175.7 | -175.5 | 177.1 | 179.1 | 174.5 | 1.6 | 111.8 | T21 K22 R23 I27 A28 D29 | T21-R25 WeakPolarHBondContact O-CB 3.35Å; T21-R25 PolarHBondContact O-N 3.4Å; K22-R25 PolarHBondContact O-N 3.09Å; R23-R25 VanDerWaalsContact C-N 3.33Å; R23-R25 PolarHBondContact O-N 2.93Å; R25-I27 VanDerWaalsContact C-N 3.34Å; R25-I27 PolarHBondContact O-N 2.73Å; R25-A28 WeakPolarHBondContact O-CB 3.29Å; R25-A28 PolarHBondContact O-N 3.37Å; R25-A28 VanDerWaalsContact O-N 3.1Å; R25-D29 PolarHBondContact O-N 3.26Å |
| 26 | K | 97.3 | Very high | 92.3 | Very high | 21 Ų | 21 | 84.2 Ų | 84.2 | 9% | 0.091 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 178.6 | -168.7 | 171.3 | -160.7 | -176.8 | 0 | 112.1 | K22 R23 A28 D29 I30 M47 S50 E51 G53 L55 | K22-K26 WeakPolarHBondContact O-CB 3.43Å; K22-K26 PolarHBondContact O-N 2.63Å; R23-K26 PolarHBondContact O-N 3.32Å; K26-A28 VanDerWaalsContact C-N 3.34Å; K26-A28 PolarHBondContact O-N 3.05Å; K26-D29 PolarHBondContact O-N 3.49Å; K26-I30 HydrophobicContact CG-CD1 4.21Å; K26-I30 VanDerWaalsContact O-CG1 3.28Å; K26-I30 WeakPolarHBondContact O-CG1 3.44Å; K26-I30 PolarHBondContact O-N 3.01Å; K26-M47 WeakPolarHBondContact CE-O 3.45Å; K26-M47 HydrophobicContact CG-SD 3.85Å; K26-M47 PolarHBondContact NZ-O 3.45Å; K26-S50 WeakPolarHBondContact CE-OG 3.44Å; K26-S50 PolarHBondContact NZ-O 3.29Å; K26-S50 PolarHBondContact NZ-OG 2.83Å; K26-E51 PolarHBondContact NZ-O 3.24Å; K26-G53 WeakPolarHBondContact CE-O 3.5Å; K26-G53 PolarHBondContact NZ-O 2.78Å; K26-L55 HydrophobicContact CB-CD1 4.14Å; K26-L55 HydrophobicContact CD-CD1 4.05Å; K26-L55 HydrophobicContact CD-CD2 4.21Å; K26-L55 HydrophobicContact CD-CG 4.18Å; K26-L55 HydrophobicContact CG-CD1 4.13Å |
| 27 | I | 97.3 | Very high | 93.2 | Very high | 47 Ų | 47 | 82.8 Ų | 82.8 | 24% | 0.241 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 175.2 | -66.3 | 170.1 | 0 | 0 | 0 | 111 | R23 K24 R25 I30 T31 L55 I59 | R23-I27 HydrophobicContact CG-CD1 4.16Å; R23-I27 WeakPolarHBondContact O-CG1 3.4Å; R23-I27 PolarHBondContact O-N 3.26Å; K24-I27 PolarHBondContact O-N 3.02Å; R25-I27 VanDerWaalsContact C-N 3.34Å; R25-I27 PolarHBondContact O-N 2.73Å; I27-I30 PolarHBondContact O-N 3.5Å; I27-T31 WeakPolarHBondContact O-CB 3.42Å; I27-T31 PolarHBondContact O-N 2.87Å; I27-T31 PolarHBondContact O-OG1 3.2Å; I27-L55 HydrophobicContact CD1-CD1 4.26Å; I27-L55 HydrophobicContact CG1-CD1 3.65Å; I27-I59 HydrophobicContact CG1-CD1 4.07Å |
| 28 | A | 97.2 | Very high | 94 | Very high | 54 Ų | 54 | 79.7 Ų | 79.7 | 45% | 0.446 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K24 R25 K26 I30 T31 Q32 | K24-A28 PolarHBondContact O-N 3.14Å; R25-A28 WeakPolarHBondContact O-CB 3.29Å; R25-A28 PolarHBondContact O-N 3.37Å; R25-A28 VanDerWaalsContact O-N 3.1Å; K26-A28 VanDerWaalsContact C-N 3.34Å; K26-A28 PolarHBondContact O-N 3.05Å; A28-I30 PolarHBondContact O-N 3.1Å; A28-T31 PolarHBondContact O-N 3.41Å; A28-Q32 WeakPolarHBondContact O-CB 3.24Å; A28-Q32 PolarHBondContact O-N 3.39Å |
| 29 | D | 97.6 | Very high | 94.3 | Very high | 51 Ų | 51 | 77.2 Ų | 77.2 | 27% | 0.273 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 178.5 | -66.3 | -17.8 | 0 | 0 | 0 | 111.4 | R25 K26 Q32 A33 M47 | R25-D29 PolarHBondContact O-N 3.26Å; K26-D29 PolarHBondContact O-N 3.49Å; D29-Q32 PolarHBondContact O-N 2.74Å; D29-A33 WeakPolarHBondContact O-CB 3.13Å; D29-A33 PolarHBondContact O-N 3.2Å; D29-M47 HydrophobicContact CB-SD 4.25Å |
| 30 | I | 97.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.01 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 174.6 | -67.9 | 168.2 | 0 | 0 | 0 | 111 | K26 I27 A28 Q32 A33 L34 L44 M47 L54 I59 V63 | K26-I30 HydrophobicContact CG-CD1 4.21Å; K26-I30 VanDerWaalsContact O-CG1 3.28Å; K26-I30 WeakPolarHBondContact O-CG1 3.44Å; K26-I30 PolarHBondContact O-N 3.01Å; I27-I30 PolarHBondContact O-N 3.5Å; A28-I30 PolarHBondContact O-N 3.1Å; I30-Q32 VanDerWaalsContact C-N 3.32Å; I30-Q32 PolarHBondContact O-N 2.77Å; I30-A33 PolarHBondContact O-N 3.16Å; I30-L34 HydrophobicContact CG2-CD1 4.02Å; I30-L34 WeakPolarHBondContact O-CG 3.4Å; I30-L34 PolarHBondContact O-N 3.37Å; I30-L44 HydrophobicContact CG2-CD2 4.03Å; I30-M47 HydrophobicContact CD1-CB 4.09Å; I30-M47 HydrophobicContact CD1-CG 4.44Å; I30-M47 HydrophobicContact CG1-CB 3.78Å; I30-M47 HydrophobicContact CG1-CG 3.71Å; I30-L54 HydrophobicContact CD1-CD2 4.14Å; I30-I59 HydrophobicContact CD1-CG2 4.11Å; I30-I59 HydrophobicContact CG2-CG2 3.87Å; I30-V63 HydrophobicContact CG2-CG2 3.86Å |
| 31 | T | 97.3 | Very high | 94.9 | Very high | 85 Ų | 85 | 69.9 Ų | 69.9 | 52% | 0.521 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | -179.5 | -55 | 0 | 0 | 0 | 0 | 110.9 | I27 A28 L34 S35 | I27-T31 WeakPolarHBondContact O-CB 3.42Å; I27-T31 PolarHBondContact O-N 2.87Å; I27-T31 PolarHBondContact O-OG1 3.2Å; A28-T31 PolarHBondContact O-N 3.41Å; T31-L34 PolarHBondContact O-N 3.29Å; T31-S35 WeakPolarHBondContact O-CB 3.46Å; T31-S35 PolarHBondContact O-N 3.03Å; T31-S35 VanDerWaalsContact O-N 3.09Å |
| 32 | Q | 97.3 | Very high | 95 | Very high | 125 Ų | 125 | 68.2 Ų | 68.2 | 58% | 0.584 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.4 | -46.5 | 175.3 | -177.1 | 177.6 | -2.3 | 0 | 0 | 111 | A28 D29 I30 L34 S35 V36 | A28-Q32 WeakPolarHBondContact O-CB 3.24Å; A28-Q32 PolarHBondContact O-N 3.39Å; D29-Q32 PolarHBondContact O-N 2.74Å; I30-Q32 VanDerWaalsContact C-N 3.32Å; I30-Q32 PolarHBondContact O-N 2.77Å; Q32-L34 VanDerWaalsContact C-N 3.28Å; Q32-L34 PolarHBondContact O-N 3.14Å; Q32-S35 PolarHBondContact O-N 2.88Å; Q32-S35 PolarHBondContact O-OG 3.41Å; Q32-V36 PolarHBondContact O-N 3.45Å |
| 33 | A | 96.8 | Very high | 95.1 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 3% | 0.033 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.9 | -35.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D29 I30 V36 D40 T43 L44 | D29-A33 WeakPolarHBondContact O-CB 3.13Å; D29-A33 PolarHBondContact O-N 3.2Å; I30-A33 PolarHBondContact O-N 3.16Å; A33-V36 VanDerWaalsContact O-CG2 3.32Å; A33-V36 WeakPolarHBondContact O-CG2 3.34Å; A33-D40 HydrophobicContact CB-CB 4.1Å; A33-D40 PolarHBondContact O-N 2.9Å; A33-T43 HydrophobicContact CB-CG2 3.81Å; A33-L44 HydrophobicContact CB-CD2 3.74Å; A33-L44 HydrophobicContact CB-CG 4.11Å |
| 34 | L | 95.3 | Very high | 95.3 | Very high | 36 Ų | 36 | 59.5 Ų | 59.5 | 19% | 0.188 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -73.3 | -25.3 | 174.2 | -71.3 | 168.7 | 0 | 0 | 0 | 113.5 | I30 T31 Q32 V39 L44 Q62 V63 | I30-L34 HydrophobicContact CG2-CD1 4.02Å; I30-L34 WeakPolarHBondContact O-CG 3.4Å; I30-L34 PolarHBondContact O-N 3.37Å; T31-L34 PolarHBondContact O-N 3.29Å; Q32-L34 VanDerWaalsContact C-N 3.28Å; Q32-L34 PolarHBondContact O-N 3.14Å; L34-V39 HydrophobicContact CD2-CG1 4.41Å; L34-L44 HydrophobicContact CD2-CD1 3.86Å; L34-L44 HydrophobicContact CD2-CD2 4.4Å; L34-L44 HydrophobicContact CG-CD1 4.49Å; L34-L44 HydrophobicContact CG-CD2 4.2Å; L34-Q62 HydrophobicContact CD1-CB 4Å; L34-V63 HydrophobicContact CD1-CG2 4.11Å; L34-V63 HydrophobicContact CD2-CG2 4.36Å |
| 35 | S | 94.9 | Very high | 95.4 | Very high | 90 Ų | 90 | 54.9 Ų | 54.9 | 63% | 0.629 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -85.2 | -17.6 | -174.1 | 72.8 | 0 | 0 | 0 | 0 | 115.2 | T31 Q32 | T31-S35 WeakPolarHBondContact O-CB 3.46Å; T31-S35 PolarHBondContact O-N 3.03Å; T31-S35 VanDerWaalsContact O-N 3.09Å; Q32-S35 PolarHBondContact O-N 2.88Å; Q32-S35 PolarHBondContact O-OG 3.41Å |
| 36 | V | 93.1 | Very high | 95.4 | Very high | 63 Ų | 63 | 52.9 Ų | 52.9 | 38% | 0.382 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -84.4 | 151.8 | -178.8 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | Q32 A33 P38 V39 D40 | Q32-V36 PolarHBondContact O-N 3.45Å; A33-V36 VanDerWaalsContact O-CG2 3.32Å; A33-V36 WeakPolarHBondContact O-CG2 3.34Å; V36-P38 CarbonylContact C-O 3.54Å; V36-P38 CarbonylContact O-C 3.47Å; V36-V39 VanDerWaalsContact O-CA 3.3Å; V36-V39 WeakPolarHBondContact O-CA 3.45Å; V36-V39 PolarHBondContact O-N 2.81Å; V36-V39 VanDerWaalsContact O-N 3.13Å; V36-D40 HydrophobicContact CG2-CB 3.89Å |
| 37 | D | 88 | Confident | 95.4 | Very high | 132 Ų | 132 | 53.3 Ų | 53.3 | 71% | 0.706 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -120.3 | 115.7 | 176.6 | -173.5 | 15.9 | 0 | 0 | 0 | 110.5 | P328 | D37-P328 WeakPolarHBondContact OD1-CG 3.48Š|
| 38 | P | 88.8 | Confident | 95.4 | Very high | 76 Ų | 76 | 51 Ų | 51 | 49% | 0.494 | 29% | 0.289 | S | S | . | . | S | Bend | cis | -69.8 | 155.4 | -1.8 | 31.6 | -35.7 | 0 | 0 | 0 | 112.4 | V36 D40 | V36-P38 CarbonylContact C-O 3.54Å; V36-P38 CarbonylContact O-C 3.47Å; P38-D40 PolarHBondContact O-N 2.77Å |
| 39 | V | 92.4 | Very high | 95.4 | Very high | 25 Ų | 25 | 51.7 Ų | 51.7 | 15% | 0.152 | 29% | 0.285 | C | S | . | . | trans | -55.3 | 134.4 | 176.6 | 170.7 | 0 | 0 | 0 | 0 | 110.3 | L34 V36 V41 L44 W66 | L34-V39 HydrophobicContact CD2-CG1 4.41Å; V36-V39 VanDerWaalsContact O-CA 3.3Å; V36-V39 WeakPolarHBondContact O-CA 3.45Å; V36-V39 PolarHBondContact O-N 2.81Å; V36-V39 VanDerWaalsContact O-N 3.13Å; V39-V41 VanDerWaalsContact C-N 3.28Å; V39-V41 HydrophobicContact CG1-CG2 4.36Å; V39-V41 PolarHBondContact O-N 2.81Å; V39-L44 HydrophobicContact CG1-CD1 3.79Å; V39-W66 HydrophobicContact CB-CD2 4.24Å; V39-W66 HydrophobicContact CB-CE3 4Å; V39-W66 HydrophobicContact CB-CH2 4.14Å; V39-W66 HydrophobicContact CB-CZ2 4.36Å; V39-W66 HydrophobicContact CB-CZ3 3.95Å; V39-W66 HydrophobicContact CG1-CD2 3.88Å; V39-W66 HydrophobicContact CG1-CE3 4.04Å; V39-W66 HydrophobicContact CG1-CG 4.19Å; V39-W66 HydrophobicContact CG1-CZ3 4.47Å; V39-W66 HydrophobicContact CG2-CD2 4.35Å; V39-W66 HydrophobicContact CG2-CE3 4.29Å; V39-W66 HydrophobicContact CG2-CH2 3.59Å; V39-W66 HydrophobicContact CG2-CZ2 3.62Å; V39-W66 HydrophobicContact CG2-CZ3 3.94Å | ||
| 40 | D | 94.9 | Very high | 95.3 | Very high | 60 Ų | 60 | 51.3 Ų | 51.3 | 32% | 0.321 | 29% | 0.286 | S | S | . | . | trans | -81.3 | 75.4 | -179.1 | -175.3 | -2.9 | 0 | 0 | 0 | 111.3 | A33 V36 P38 A42 T43 L44 | A33-D40 HydrophobicContact CB-CB 4.1Å; A33-D40 PolarHBondContact O-N 2.9Å; V36-D40 HydrophobicContact CG2-CB 3.89Å; P38-D40 PolarHBondContact O-N 2.77Å; D40-A42 PolarHBondContact O-N 3.27Å; D40-A42 PolarHBondContact OD1-N 3.42Å; D40-T43 PolarHBondContact O-N 3.32Å; D40-T43 VanDerWaalsContact O-N 3.14Å; D40-T43 PolarHBondContact OD1-N 2.79Å; D40-T43 PolarHBondContact OD1-OG1 3.09Å; D40-T43 WeakPolarHBondContact OD2-CB 3.21Å; D40-T43 PolarHBondContact OD2-OG1 3.41Å; D40-L44 WeakPolarHBondContact O-CG 3.38Å; D40-L44 PolarHBondContact O-N 3Å; D40-L44 VanDerWaalsContact O-N 3.12Å | ||
| 41 | V | 94.9 | Very high | 95.2 | Very high | 8 Ų | 8 | 57.7 Ų | 57.7 | 5% | 0.048 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.8 | -30.2 | 178.5 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | V39 L44 R45 W66 | V39-V41 VanDerWaalsContact C-N 3.28Å; V39-V41 HydrophobicContact CG1-CG2 4.36Å; V39-V41 PolarHBondContact O-N 2.81Å; V41-L44 PolarHBondContact O-N 3.15Å; V41-R45 PolarHBondContact O-N 3.45Å; V41-W66 HydrophobicContact CG2-CB 4.43Å; V41-W66 HydrophobicContact CG2-CE3 4.39Å |
| 42 | A | 94.6 | Very high | 95 | Very high | 49 Ų | 49 | 54.5 Ų | 54.5 | 41% | 0.405 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D40 R46 | D40-A42 PolarHBondContact O-N 3.27Å; D40-A42 PolarHBondContact OD1-N 3.42Å; A42-R46 WeakPolarHBondContact O-CG 3.36Å; A42-R46 PolarHBondContact O-N 3.15Å; A42-R46 VanDerWaalsContact O-N 3.11Å; A42-R46 PolarHBondContact O-NH1 3.4Å |
| 43 | T | 96.3 | Very high | 95 | Very high | 19 Ų | 19 | 48.6 Ų | 48.6 | 12% | 0.117 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.7 | -44 | 171.6 | -66.1 | 0 | 0 | 0 | 0 | 111.3 | A33 D40 R45 R46 M47 | A33-T43 HydrophobicContact CB-CG2 3.81Å; D40-T43 PolarHBondContact O-N 3.32Å; D40-T43 VanDerWaalsContact O-N 3.14Å; D40-T43 PolarHBondContact OD1-N 2.79Å; D40-T43 PolarHBondContact OD1-OG1 3.09Å; D40-T43 WeakPolarHBondContact OD2-CB 3.21Å; D40-T43 PolarHBondContact OD2-OG1 3.41Å; T43-R45 VanDerWaalsContact C-N 3.34Å; T43-R45 PolarHBondContact O-N 3.38Å; T43-R46 PolarHBondContact O-N 3.23Å; T43-R46 VanDerWaalsContact O-N 3.16Å; T43-R46 PolarHBondContact OG1-NH2 3.27Å; T43-M47 HydrophobicContact CG2-CG 4.24Å; T43-M47 WeakPolarHBondContact O-CG 3.29Å; T43-M47 PolarHBondContact O-N 3.23Å |
| 44 | L | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 177.9 | -62.4 | -179.2 | 0 | 0 | 0 | 112.5 | I30 A33 L34 V39 D40 V41 M47 A48 V63 W66 L67 | I30-L44 HydrophobicContact CG2-CD2 4.03Å; A33-L44 HydrophobicContact CB-CD2 3.74Å; A33-L44 HydrophobicContact CB-CG 4.11Å; L34-L44 HydrophobicContact CD2-CD1 3.86Å; L34-L44 HydrophobicContact CD2-CD2 4.4Å; L34-L44 HydrophobicContact CG-CD1 4.49Å; L34-L44 HydrophobicContact CG-CD2 4.2Å; V39-L44 HydrophobicContact CG1-CD1 3.79Å; D40-L44 WeakPolarHBondContact O-CG 3.38Å; D40-L44 PolarHBondContact O-N 3Å; D40-L44 VanDerWaalsContact O-N 3.12Å; V41-L44 PolarHBondContact O-N 3.15Å; L44-M47 PolarHBondContact O-N 2.87Å; L44-A48 WeakPolarHBondContact O-CB 3.47Å; L44-A48 PolarHBondContact O-N 3.41Å; L44-V63 HydrophobicContact CB-CG1 4.03Å; L44-V63 HydrophobicContact CD1-CG1 4.26Å; L44-V63 HydrophobicContact CD2-CG1 4.3Å; L44-V63 HydrophobicContact CD2-CG2 4.01Å; L44-V63 HydrophobicContact CG-CG1 4.42Å; L44-W66 HydrophobicContact CD1-CB 3.91Å; L44-W66 HydrophobicContact CD1-CG 4.16Å; L44-L67 HydrophobicContact CB-CD2 4.32Å |
| 45 | R | 97 | Very high | 95 | Very high | 25 Ų | 25 | 48.3 Ų | 48.3 | 9% | 0.094 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.4 | -48 | 173.4 | -79.1 | -175.1 | 176.4 | 140.2 | 8.8 | 112 | V41 T43 M47 A48 I49 L67 A238 E320 S323 | V41-R45 PolarHBondContact O-N 3.45Å; T43-R45 VanDerWaalsContact C-N 3.34Å; T43-R45 PolarHBondContact O-N 3.38Å; R45-M47 VanDerWaalsContact C-N 3.27Å; R45-M47 PolarHBondContact O-N 3.4Å; R45-A48 PolarHBondContact O-N 3.48Å; R45-I49 VanDerWaalsContact O-CG1 3.31Å; R45-I49 WeakPolarHBondContact O-CG1 3.45Å; R45-I49 PolarHBondContact O-N 3.2Å; R45-L67 HydrophobicContact CB-CD2 4.42Å; R45-L67 HydrophobicContact CG-CD2 3.59Å; R45-A238 HydrophobicContact CB-CB 4.36Å; R45-A238 HydrophobicContact CG-CB 4.23Å; R45-E320 IonicContact NH1-OE1 2.91Å; R45-S323 VanDerWaalsContact CZ-OG 3.31Å; R45-S323 PolarHBondContact NH1-OG 3.25Å; R45-S323 PolarHBondContact NH2-OG 3.39Å |
| 46 | R | 96.4 | Very high | 95.1 | Very high | 138 Ų | 138 | 45.5 Ų | 45.5 | 52% | 0.521 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.7 | -40.3 | 176.8 | -71.9 | -168.9 | -58.5 | -86 | 3.8 | 111.9 | A42 T43 I49 S50 | A42-R46 WeakPolarHBondContact O-CG 3.36Å; A42-R46 PolarHBondContact O-N 3.15Å; A42-R46 VanDerWaalsContact O-N 3.11Å; A42-R46 PolarHBondContact O-NH1 3.4Å; T43-R46 PolarHBondContact O-N 3.23Å; T43-R46 VanDerWaalsContact O-N 3.16Å; T43-R46 PolarHBondContact OG1-NH2 3.27Å; R46-I49 PolarHBondContact O-N 3.24Å; R46-S50 VanDerWaalsContact O-CB 3.29Å; R46-S50 WeakPolarHBondContact O-CB 3.46Å; R46-S50 PolarHBondContact O-N 3.03Å; R46-S50 PolarHBondContact O-OG 3.21Å |
| 47 | M | 97.7 | Very high | 95.3 | Very high | 30 Ų | 30 | 45.1 Ų | 45.1 | 15% | 0.148 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.1 | -41.1 | 178.4 | -66.1 | -58.7 | 100.4 | 0 | 0 | 112.1 | K26 D29 I30 T43 L44 R45 S50 | K26-M47 WeakPolarHBondContact CE-O 3.45Å; K26-M47 HydrophobicContact CG-SD 3.85Å; K26-M47 PolarHBondContact NZ-O 3.45Å; D29-M47 HydrophobicContact CB-SD 4.25Å; I30-M47 HydrophobicContact CD1-CB 4.09Å; I30-M47 HydrophobicContact CD1-CG 4.44Å; I30-M47 HydrophobicContact CG1-CB 3.78Å; I30-M47 HydrophobicContact CG1-CG 3.71Å; T43-M47 HydrophobicContact CG2-CG 4.24Å; T43-M47 WeakPolarHBondContact O-CG 3.29Å; T43-M47 PolarHBondContact O-N 3.23Å; L44-M47 PolarHBondContact O-N 2.87Å; R45-M47 VanDerWaalsContact C-N 3.27Å; R45-M47 PolarHBondContact O-N 3.4Å; M47-S50 PolarHBondContact O-OG 2.89Å |
| 48 | A | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.5 | -34.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L44 R45 L54 L67 R231 D234 A238 | L44-A48 WeakPolarHBondContact O-CB 3.47Å; L44-A48 PolarHBondContact O-N 3.41Å; R45-A48 PolarHBondContact O-N 3.48Å; A48-L54 HydrophobicContact CB-CD1 4.41Å; A48-L54 HydrophobicContact CB-CD2 3.96Å; A48-L54 HydrophobicContact CB-CG 4.04Å; A48-L67 HydrophobicContact CB-CD1 4.04Å; A48-R231 PolarHBondContact O-NH1 3.31Å; A48-D234 HydrophobicContact CB-CB 4.38Å; A48-D234 WeakPolarHBondContact CB-O 3.37Å; A48-A238 HydrophobicContact CB-CB 3.8Å |
| 49 | I | 96.9 | Very high | 96.2 | Very high | 68 Ų | 68 | 42.2 Ų | 42.2 | 35% | 0.349 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -74.2 | -44.9 | 176.3 | -66.4 | 165.4 | 0 | 0 | 0 | 111.2 | R45 R46 R231 F235 A238 | R45-I49 VanDerWaalsContact O-CG1 3.31Å; R45-I49 WeakPolarHBondContact O-CG1 3.45Å; R45-I49 PolarHBondContact O-N 3.2Å; R46-I49 PolarHBondContact O-N 3.24Å; I49-R231 PolarHBondContact O-NH2 2.96Å; I49-F235 HydrophobicContact CG1-CD2 4.16Å; I49-F235 HydrophobicContact CG1-CE2 4.48Å; I49-F235 HydrophobicContact CG2-CD2 4.35Å; I49-F235 HydrophobicContact CG2-CE2 4.27Å; I49-A238 HydrophobicContact CD1-CB 4.24Å; I49-A238 HydrophobicContact CG1-CB 3.82Å |
| 50 | S | 95.7 | Very high | 96.5 | Very high | 43 Ų | 43 | 42 Ų | 42 | 30% | 0.301 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -60.6 | 157.4 | -176.9 | 66.1 | 0 | 0 | 0 | 0 | 113.8 | K26 R46 M47 G52 G53 R231 | K26-S50 WeakPolarHBondContact CE-OG 3.44Å; K26-S50 PolarHBondContact NZ-O 3.29Å; K26-S50 PolarHBondContact NZ-OG 2.83Å; R46-S50 VanDerWaalsContact O-CB 3.29Å; R46-S50 WeakPolarHBondContact O-CB 3.46Å; R46-S50 PolarHBondContact O-N 3.03Å; R46-S50 PolarHBondContact O-OG 3.21Å; M47-S50 PolarHBondContact O-OG 2.89Å; S50-G52 PolarHBondContact O-N 3.25Å; S50-G53 PolarHBondContact O-N 3.48Å; S50-R231 PolarHBondContact O-NH2 3.44Å |
| 51 | E | 94.9 | Very high | 96.6 | Very high | 135 Ų | 135 | 41.3 Ų | 41.3 | 63% | 0.631 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -39.9 | 127.7 | -176.9 | -169 | -177.8 | -173.9 | 0 | 0 | 113.7 | K26 G53 E283 | K26-E51 PolarHBondContact NZ-O 3.24Å; E51-G53 VanDerWaalsContact C-N 3.29Å; E51-G53 PolarHBondContact O-N 3.48Å; E51-E283 WeakPolarHBondContact CA-OE2 3.45Å; E51-E283 HydrophobicContact CG-CG 4.19Å |
| 52 | G | 93.8 | Very high | 96.6 | Very high | 19 Ų | 19 | 46 Ų | 46 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | -1.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S50 L55 E283 | S50-G52 PolarHBondContact O-N 3.25Å; G52-L55 PolarHBondContact O-N 3.16Å; G52-E283 WeakPolarHBondContact CA-OE1 3.29Å; G52-E283 PolarHBondContact N-OE1 3.43Å; G52-E283 PolarHBondContact N-OE2 2.79Å |
| 53 | G | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -140.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K26 S50 E51 L55 | K26-G53 WeakPolarHBondContact CE-O 3.5Å; K26-G53 PolarHBondContact NZ-O 2.78Å; S50-G53 PolarHBondContact O-N 3.48Å; E51-G53 VanDerWaalsContact C-N 3.29Å; E51-G53 PolarHBondContact O-N 3.48Å; G53-L55 VanDerWaalsContact C-N 3.26Å; G53-L55 PolarHBondContact O-N 3.19Å |
| 54 | L | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 3.9 | -175.7 | -64.9 | 176.9 | 0 | 0 | 0 | 114.5 | I30 A48 T56 I59 R60 V63 L67 D234 | I30-L54 HydrophobicContact CD1-CD2 4.14Å; A48-L54 HydrophobicContact CB-CD1 4.41Å; A48-L54 HydrophobicContact CB-CD2 3.96Å; A48-L54 HydrophobicContact CB-CG 4.04Å; L54-T56 PolarHBondContact O-N 3.18Å; L54-I59 HydrophobicContact CB-CG2 4.06Å; L54-I59 HydrophobicContact CD2-CG2 4.4Å; L54-I59 WeakPolarHBondContact O-CB 3.16Å; L54-I59 WeakPolarHBondContact O-CD1 3.44Å; L54-I59 WeakPolarHBondContact O-CG2 3.35Å; L54-R60 HydrophobicContact CB-CG 3.94Å; L54-R60 HydrophobicContact CD1-CG 4.08Å; L54-V63 HydrophobicContact CD1-CB 3.84Å; L54-V63 HydrophobicContact CD1-CG1 3.62Å; L54-V63 HydrophobicContact CD2-CB 4.33Å; L54-V63 HydrophobicContact CD2-CG1 3.82Å; L54-V63 HydrophobicContact CD2-CG2 4.45Å; L54-V63 HydrophobicContact CG-CG1 4.4Å; L54-L67 HydrophobicContact CD1-CD1 4.4Å; L54-D234 HydrophobicContact CD1-CB 4.48Å; L54-D234 HydrophobicContact CG-CB 4.25Å; L54-D234 PolarHBondContact N-OD2 3.42Å |
| 55 | L | 95.5 | Very high | 96.8 | Very high | 34 Ų | 34 | 43 Ų | 43 | 18% | 0.178 | 22% | 0.215 | C | C | . | . | trans | 69.7 | -48.9 | 172.7 | -50.5 | 170.4 | 0 | 0 | 0 | 116.4 | W19 R23 K26 I27 G52 G53 | W19-L55 HydrophobicContact CH2-CD2 4.42Å; R23-L55 HydrophobicContact CG-CD1 3.98Å; K26-L55 HydrophobicContact CB-CD1 4.14Å; K26-L55 HydrophobicContact CD-CD1 4.05Å; K26-L55 HydrophobicContact CD-CD2 4.21Å; K26-L55 HydrophobicContact CD-CG 4.18Å; K26-L55 HydrophobicContact CG-CD1 4.13Å; I27-L55 HydrophobicContact CD1-CD1 4.26Å; I27-L55 HydrophobicContact CG1-CD1 3.65Å; G52-L55 PolarHBondContact O-N 3.16Å; G53-L55 VanDerWaalsContact C-N 3.26Å; G53-L55 PolarHBondContact O-N 3.19Å | ||
| 56 | T | 97 | Very high | 96.7 | Very high | 32 Ų | 32 | 44.2 Ų | 44.2 | 20% | 0.196 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -141.1 | 157.6 | -175.7 | 82 | 0 | 0 | 0 | 0 | 112.9 | L54 E58 I59 R60 | L54-T56 PolarHBondContact O-N 3.18Å; T56-E58 VanDerWaalsContact C-N 3.31Å; T56-E58 WeakPolarHBondContact CB-OE2 3.46Å; T56-E58 PolarHBondContact O-N 3.4Å; T56-E58 PolarHBondContact OG1-OE2 2.92Å; T56-I59 PolarHBondContact O-N 3.05Å; T56-R60 WeakPolarHBondContact O-CG 3.33Å; T56-R60 PolarHBondContact O-N 3.42Å; T56-R60 VanDerWaalsContact O-N 3.09Å |
| 57 | D | 97.3 | Very high | 96.7 | Very high | 55 Ų | 55 | 37.7 Ų | 37.7 | 29% | 0.294 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.4 | -32.2 | -178.5 | -63 | -20.6 | 0 | 0 | 0 | 111.8 | I59 R60 C61 V150 | D57-I59 VanDerWaalsContact C-N 3.26Å; D57-I59 PolarHBondContact O-N 3.11Å; D57-R60 WeakPolarHBondContact O-CA 3.15Å; D57-R60 WeakPolarHBondContact O-CB 3.42Å; D57-R60 PolarHBondContact O-N 3.16Å; D57-R60 IonicContact OD1-CZ 2.68Å; D57-R60 IonicContact OD1-NH1 3.81Å; D57-R60 PolarHBondContact OD1-NH1 3.36Å; D57-C61 PolarHBondContact O-N 3.4Å; D57-C61 PolarHBondContact O-SG 2.99Å; D57-V150 HydrophobicContact CB-CG1 4.05Å |
| 58 | E | 97.3 | Very high | 96.6 | Very high | 127 Ų | 127 | 36.2 Ų | 36.2 | 59% | 0.593 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -63.9 | -33.1 | 175.3 | -55.2 | 77.7 | -167.7 | 0 | 0 | 112.3 | T56 Q62 | T56-E58 VanDerWaalsContact C-N 3.31Å; T56-E58 WeakPolarHBondContact CB-OE2 3.46Å; T56-E58 PolarHBondContact O-N 3.4Å; T56-E58 PolarHBondContact OG1-OE2 2.92Å; E58-Q62 PolarHBondContact O-NE2 2.9Å |
| 59 | I | 97.8 | Very high | 96.3 | Very high | 19 Ų | 19 | 37.2 Ų | 37.2 | 10% | 0.097 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -73.4 | -40.5 | 172.9 | -66.6 | 174.8 | 0 | 0 | 0 | 109.7 | I27 I30 L54 T56 D57 C61 Q62 V63 | I27-I59 HydrophobicContact CG1-CD1 4.07Å; I30-I59 HydrophobicContact CD1-CG2 4.11Å; I30-I59 HydrophobicContact CG2-CG2 3.87Å; L54-I59 HydrophobicContact CB-CG2 4.06Å; L54-I59 HydrophobicContact CD2-CG2 4.4Å; L54-I59 WeakPolarHBondContact O-CB 3.16Å; L54-I59 WeakPolarHBondContact O-CD1 3.44Å; L54-I59 WeakPolarHBondContact O-CG2 3.35Å; T56-I59 PolarHBondContact O-N 3.05Å; D57-I59 VanDerWaalsContact C-N 3.26Å; D57-I59 PolarHBondContact O-N 3.11Å; I59-C61 PolarHBondContact O-N 3.13Å; I59-Q62 WeakPolarHBondContact O-CB 3.25Å; I59-Q62 PolarHBondContact O-N 2.53Å; I59-V63 HydrophobicContact CG2-CG2 3.82Å; I59-V63 WeakPolarHBondContact O-CB 3.42Å; I59-V63 WeakPolarHBondContact O-CG2 3.47Å; I59-V63 PolarHBondContact O-N 3.32Å |
| 60 | R | 98.3 | Very high | 96.1 | Very high | 20 Ų | 20 | 34.2 Ų | 34.2 | 8% | 0.075 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.5 | -42 | 178.2 | -67.8 | 172.5 | -176.9 | 120 | 1.2 | 112.4 | L54 T56 D57 Q62 V63 W64 V150 V230 D234 | L54-R60 HydrophobicContact CB-CG 3.94Å; L54-R60 HydrophobicContact CD1-CG 4.08Å; T56-R60 WeakPolarHBondContact O-CG 3.33Å; T56-R60 PolarHBondContact O-N 3.42Å; T56-R60 VanDerWaalsContact O-N 3.09Å; D57-R60 WeakPolarHBondContact O-CA 3.15Å; D57-R60 WeakPolarHBondContact O-CB 3.42Å; D57-R60 PolarHBondContact O-N 3.16Å; D57-R60 IonicContact OD1-CZ 2.68Å; D57-R60 IonicContact OD1-NH1 3.81Å; D57-R60 PolarHBondContact OD1-NH1 3.36Å; R60-Q62 PolarHBondContact O-N 3.25Å; R60-Q62 VanDerWaalsContact O-N 3.15Å; R60-V63 PolarHBondContact O-N 3.23Å; R60-V63 VanDerWaalsContact O-N 3.16Å; R60-W64 HydrophobicContact CB-CD2 3.97Å; R60-W64 HydrophobicContact CB-CG 4.2Å; R60-W64 HydrophobicContact CB-CZ2 4.29Å; R60-W64 HydrophobicContact CG-CD2 4.48Å; R60-W64 HydrophobicContact CG-CZ2 4.14Å; R60-W64 WeakPolarHBondContact O-CB 3.37Å; R60-W64 PolarHBondContact O-N 3.33Å; R60-V150 HydrophobicContact CB-CG1 3.75Å; R60-V150 HydrophobicContact CG-CG1 4.37Å; R60-V230 VanDerWaalsContact CD-CG1 3.48Å; R60-D234 IonicContact CZ-OD2 2.79Å; R60-D234 IonicContact NE-OD1 3.49Å; R60-D234 PolarHBondContact NE-OD1 3.08Å; R60-D234 IonicContact NE-OD2 3.11Å; R60-D234 PolarHBondContact NE-OD2 2.98Å; R60-D234 IonicContact NH2-OD2 3.93Å; R60-D234 PolarHBondContact NH2-OD2 3.47Å |
| 61 | C | 96.8 | Very high | 95.5 | Very high | 46 Ų | 46 | 34.4 Ų | 34.4 | 31% | 0.311 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -53.1 | -33.9 | 172.1 | -70.7 | 0 | 0 | 0 | 0 | 112.8 | D57 I59 P65 L155 | D57-C61 PolarHBondContact O-N 3.4Å; D57-C61 PolarHBondContact O-SG 2.99Å; I59-C61 PolarHBondContact O-N 3.13Å; C61-P65 WeakPolarHBondContact O-CG 3.43Å; C61-L155 HydrophobicContact CB-CD2 4.41Å; C61-L155 WeakPolarHBondContact O-CD2 3.03Å |
| 62 | Q | 95.9 | Very high | 95 | Very high | 108 Ų | 108 | 31 Ų | 31 | 51% | 0.505 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -86.6 | -38.2 | 179 | -67.2 | 172.4 | 71.8 | 0 | 0 | 112.3 | L34 E58 I59 R60 W66 | L34-Q62 HydrophobicContact CD1-CB 4Å; E58-Q62 PolarHBondContact O-NE2 2.9Å; I59-Q62 WeakPolarHBondContact O-CB 3.25Å; I59-Q62 PolarHBondContact O-N 2.53Å; R60-Q62 PolarHBondContact O-N 3.25Å; R60-Q62 VanDerWaalsContact O-N 3.15Å; Q62-W66 PolarHBondContact O-NE1 3.22Å |
| 63 | V | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -94.9 | -40.5 | -167.1 | 174.6 | 0 | 0 | 0 | 0 | 113.8 | I30 L34 L44 L54 I59 R60 P65 W66 L67 | I30-V63 HydrophobicContact CG2-CG2 3.86Å; L34-V63 HydrophobicContact CD1-CG2 4.11Å; L34-V63 HydrophobicContact CD2-CG2 4.36Å; L44-V63 HydrophobicContact CB-CG1 4.03Å; L44-V63 HydrophobicContact CD1-CG1 4.26Å; L44-V63 HydrophobicContact CD2-CG1 4.3Å; L44-V63 HydrophobicContact CD2-CG2 4.01Å; L44-V63 HydrophobicContact CG-CG1 4.42Å; L54-V63 HydrophobicContact CD1-CB 3.84Å; L54-V63 HydrophobicContact CD1-CG1 3.62Å; L54-V63 HydrophobicContact CD2-CB 4.33Å; L54-V63 HydrophobicContact CD2-CG1 3.82Å; L54-V63 HydrophobicContact CD2-CG2 4.45Å; L54-V63 HydrophobicContact CG-CG1 4.4Å; I59-V63 HydrophobicContact CG2-CG2 3.82Å; I59-V63 WeakPolarHBondContact O-CB 3.42Å; I59-V63 WeakPolarHBondContact O-CG2 3.47Å; I59-V63 PolarHBondContact O-N 3.32Å; R60-V63 PolarHBondContact O-N 3.23Å; R60-V63 VanDerWaalsContact O-N 3.16Å; V63-P65 VanDerWaalsContact C-N 3.29Å; V63-W66 WeakPolarHBondContact O-CB 3.46Å; V63-W66 PolarHBondContact O-N 3.14Å; V63-L67 HydrophobicContact CG1-CD1 4.11Å; V63-L67 HydrophobicContact CG1-CD2 4.42Å; V63-L67 HydrophobicContact CG1-CG 3.98Å; V63-L67 PolarHBondContact O-N 3.29Å; V63-L67 VanDerWaalsContact O-N 3.08Å |
| 64 | W | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -53.9 | -38.3 | 179.4 | -73.1 | 0.8 | 0 | 0 | 0 | 113.9 | R60 W66 L67 L68 F147 V150 V151 L159 V230 Y233 D234 L237 | R60-W64 HydrophobicContact CB-CD2 3.97Å; R60-W64 HydrophobicContact CB-CG 4.2Å; R60-W64 HydrophobicContact CB-CZ2 4.29Å; R60-W64 HydrophobicContact CG-CD2 4.48Å; R60-W64 HydrophobicContact CG-CZ2 4.14Å; R60-W64 WeakPolarHBondContact O-CB 3.37Å; R60-W64 PolarHBondContact O-N 3.33Å; W64-W66 VanDerWaalsContact C-N 3.28Å; W64-W66 PolarHBondContact O-N 3.02Å; W64-L67 PolarHBondContact O-N 3.03Å; W64-L68 PolarHBondContact O-N 3.12Å; W64-F147 HydrophobicContact CD2-CE1 4.42Å; W64-F147 AromaticContact CE3-CD1 3.7Å; W64-F147 HydrophobicContact CE3-CD1 3.7Å; W64-F147 AromaticContact CE3-CE1 3.56Å; W64-F147 HydrophobicContact CE3-CE1 3.56Å; W64-F147 AromaticContact CZ3-CD1 3.54Å; W64-F147 HydrophobicContact CZ3-CD1 3.54Å; W64-F147 AromaticContact CZ3-CE1 3.68Å; W64-F147 HydrophobicContact CZ3-CE1 3.68Å; W64-F147 HydrophobicContact CZ3-CG 4.21Å; W64-F147 HydrophobicContact CZ3-CZ 4.43Å; W64-V150 HydrophobicContact CE3-CG1 4.31Å; W64-V150 HydrophobicContact CH2-CB 3.84Å; W64-V150 HydrophobicContact CH2-CG1 3.63Å; W64-V150 HydrophobicContact CH2-CG2 3.9Å; W64-V150 HydrophobicContact CZ2-CG1 4.19Å; W64-V150 HydrophobicContact CZ3-CB 3.83Å; W64-V150 HydrophobicContact CZ3-CG1 3.69Å; W64-V150 HydrophobicContact CZ3-CG2 4.37Å; W64-V151 HydrophobicContact CE3-CG1 3.68Å; W64-V151 HydrophobicContact CZ3-CG1 4Å; W64-L159 HydrophobicContact CB-CD1 3.86Å; W64-L159 HydrophobicContact CE3-CD1 4.11Å; W64-V230 HydrophobicContact CH2-CG1 4.28Å; W64-V230 HydrophobicContact CZ2-CG1 4Å; W64-Y233 HydrophobicContact CH2-CD1 4.3Å; W64-D234 PolarHBondContact NE1-OD1 3.24Å; W64-L237 HydrophobicContact CB-CD1 4.24Å; W64-L237 HydrophobicContact CD2-CD1 3.64Å; W64-L237 HydrophobicContact CE3-CD1 4.29Å; W64-L237 HydrophobicContact CG-CD1 3.63Å; W64-L237 HydrophobicContact CZ2-CD1 4.32Å |
| 65 | P | 96.8 | Very high | 93.2 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.9 | -39 | 172.9 | -25.5 | 35 | 0 | 0 | 0 | 113.9 | C61 V63 L68 N69 I70 L75 L155 L159 | C61-P65 WeakPolarHBondContact O-CG 3.43Å; V63-P65 VanDerWaalsContact C-N 3.29Å; P65-L68 CarbonylContact O-C 3.59Å; P65-N69 PolarHBondContact O-N 3.39Å; P65-N69 VanDerWaalsContact O-N 3.16Å; P65-I70 HydrophobicContact CB-CB 4.32Å; P65-I70 WeakPolarHBondContact O-CB 3.17Å; P65-I70 WeakPolarHBondContact O-CG1 3.33Å; P65-I70 PolarHBondContact O-N 3.45Å; P65-L75 HydrophobicContact CB-CD1 4.16Å; P65-L75 HydrophobicContact CB-CD2 3.84Å; P65-L75 HydrophobicContact CG-CD2 4.19Å; P65-L155 HydrophobicContact CG-CD1 4.06Å; P65-L155 HydrophobicContact CG-CD2 4.13Å; P65-L159 HydrophobicContact CB-CD2 4.2Å; P65-L159 HydrophobicContact CG-CD2 4.11Å |
| 66 | W | 95.6 | Very high | 92.4 | Very high | 51 Ų | 51 | 42.8 Ų | 42.8 | 19% | 0.193 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.1 | -40.6 | 178.5 | -64.4 | 107.9 | 0 | 0 | 0 | 111.8 | V39 V41 L44 Q62 V63 W64 L68 N69 P72 | V39-W66 HydrophobicContact CB-CD2 4.24Å; V39-W66 HydrophobicContact CB-CE3 4Å; V39-W66 HydrophobicContact CB-CH2 4.14Å; V39-W66 HydrophobicContact CB-CZ2 4.36Å; V39-W66 HydrophobicContact CB-CZ3 3.95Å; V39-W66 HydrophobicContact CG1-CD2 3.88Å; V39-W66 HydrophobicContact CG1-CE3 4.04Å; V39-W66 HydrophobicContact CG1-CG 4.19Å; V39-W66 HydrophobicContact CG1-CZ3 4.47Å; V39-W66 HydrophobicContact CG2-CD2 4.35Å; V39-W66 HydrophobicContact CG2-CE3 4.29Å; V39-W66 HydrophobicContact CG2-CH2 3.59Å; V39-W66 HydrophobicContact CG2-CZ2 3.62Å; V39-W66 HydrophobicContact CG2-CZ3 3.94Å; V41-W66 HydrophobicContact CG2-CB 4.43Å; V41-W66 HydrophobicContact CG2-CE3 4.39Å; L44-W66 HydrophobicContact CD1-CB 3.91Å; L44-W66 HydrophobicContact CD1-CG 4.16Å; Q62-W66 PolarHBondContact O-NE1 3.22Å; V63-W66 WeakPolarHBondContact O-CB 3.46Å; V63-W66 PolarHBondContact O-N 3.14Å; W64-W66 VanDerWaalsContact C-N 3.28Å; W64-W66 PolarHBondContact O-N 3.02Å; W66-L68 VanDerWaalsContact C-N 3.26Å; W66-L68 PolarHBondContact O-N 2.56Å; W66-N69 PolarHBondContact O-N 3.41Å; W66-P72 HydrophobicContact CH2-CG 4.15Å |
| 67 | L | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.7 | -38.9 | 174.9 | -61.9 | -176.3 | 0 | 0 | 0 | 111.6 | L44 R45 A48 L54 V63 W64 N69 L237 A238 | L44-L67 HydrophobicContact CB-CD2 4.32Å; R45-L67 HydrophobicContact CB-CD2 4.42Å; R45-L67 HydrophobicContact CG-CD2 3.59Å; A48-L67 HydrophobicContact CB-CD1 4.04Å; L54-L67 HydrophobicContact CD1-CD1 4.4Å; V63-L67 HydrophobicContact CG1-CD1 4.11Å; V63-L67 HydrophobicContact CG1-CD2 4.42Å; V63-L67 HydrophobicContact CG1-CG 3.98Å; V63-L67 PolarHBondContact O-N 3.29Å; V63-L67 VanDerWaalsContact O-N 3.08Å; W64-L67 PolarHBondContact O-N 3.03Å; L67-N69 VanDerWaalsContact C-N 3.26Å; L67-N69 PolarHBondContact O-N 3.13Å; L67-L237 HydrophobicContact CB-CB 4.24Å; L67-L237 HydrophobicContact CD1-CB 4.01Å; L67-A238 HydrophobicContact CD1-CB 4.39Å; L67-A238 HydrophobicContact CD2-CB 4.48Å |
| 68 | L | 95.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 3.8 | 176.2 | -73.7 | 175.5 | 0 | 0 | 0 | 114.6 | W64 P65 W66 I70 F147 L159 K162 L163 L237 F319 | W64-L68 PolarHBondContact O-N 3.12Å; P65-L68 CarbonylContact O-C 3.59Å; W66-L68 VanDerWaalsContact C-N 3.26Å; W66-L68 PolarHBondContact O-N 2.56Å; L68-I70 HydrophobicContact CB-CD1 4.1Å; L68-I70 HydrophobicContact CB-CG1 3.86Å; L68-I70 PolarHBondContact O-N 2.93Å; L68-F147 HydrophobicContact CD1-CE1 4.46Å; L68-L159 HydrophobicContact CD1-CB 3.85Å; L68-L159 HydrophobicContact CD1-CD2 4.05Å; L68-L159 HydrophobicContact CD1-CG 4.35Å; L68-K162 HydrophobicContact CB-CG 4.42Å; L68-K162 WeakPolarHBondContact O-CE 3.21Å; L68-K162 WeakPolarHBondContact O-CG 3.42Å; L68-L163 HydrophobicContact CD2-CD1 3.84Å; L68-L237 HydrophobicContact CD1-CD2 3.89Å; L68-L237 HydrophobicContact CD2-CD2 3.61Å; L68-L237 HydrophobicContact CG-CD2 3.77Å; L68-F319 VanDerWaalsContact O-CE2 3.29Å; L68-F319 WeakPolarHBondContact O-CE2 3.5Å |
| 69 | N | 92.6 | Very high | 90.2 | Very high | 21 Ų | 21 | 44.4 Ų | 44.4 | 11% | 0.112 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 43.1 | -179.1 | -170.9 | 15.4 | 0 | 0 | 0 | 112.4 | P65 W66 L67 P71 F319 A322 S323 Q326 | P65-N69 PolarHBondContact O-N 3.39Å; P65-N69 VanDerWaalsContact O-N 3.16Å; W66-N69 PolarHBondContact O-N 3.41Å; L67-N69 VanDerWaalsContact C-N 3.26Å; L67-N69 PolarHBondContact O-N 3.13Å; N69-P71 WeakPolarHBondContact O-CD 3.32Å; N69-F319 HydrophobicContact CB-CD2 4.45Å; N69-F319 HydrophobicContact CB-CE2 3.86Å; N69-F319 HydrophobicContact CB-CZ 4.09Å; N69-F319 PolarHBondContact ND2-O 2.62Å; N69-A322 VanDerWaalsContact ND2-C 3.35Å; N69-A322 WeakPolarHBondContact ND2-CB 3.46Å; N69-S323 PolarHBondContact ND2-N 3.36Å; N69-Q326 WeakPolarHBondContact OD1-CG 3.44Å; N69-Q326 PolarHBondContact OD1-NE2 2.99Å |
| 70 | I | 91.3 | Very high | 89.6 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | trans | -79.7 | 126.6 | 178.3 | -55.1 | -65.6 | 0 | 0 | 0 | 109.4 | P65 L68 L74 L75 V158 L159 K162 | P65-I70 HydrophobicContact CB-CB 4.32Å; P65-I70 WeakPolarHBondContact O-CB 3.17Å; P65-I70 WeakPolarHBondContact O-CG1 3.33Å; P65-I70 PolarHBondContact O-N 3.45Å; L68-I70 HydrophobicContact CB-CD1 4.1Å; L68-I70 HydrophobicContact CB-CG1 3.86Å; L68-I70 PolarHBondContact O-N 2.93Å; I70-L74 HydrophobicContact CG2-CB 4.16Å; I70-L75 HydrophobicContact CB-CD2 4.16Å; I70-L75 HydrophobicContact CG2-CD2 3.5Å; I70-L75 VanDerWaalsContact CG2-CD2 3.5Å; I70-L75 HydrophobicContact CG2-CG 4.29Å; I70-V158 HydrophobicContact CD1-CG1 4.35Å; I70-V158 HydrophobicContact CG2-CG1 3.67Å; I70-L159 HydrophobicContact CD1-CD2 4.33Å; I70-L159 HydrophobicContact CG1-CD2 3.67Å; I70-K162 HydrophobicContact CD1-CB 3.32Å; I70-K162 HydrophobicContact CD1-CD 4.18Å; I70-K162 HydrophobicContact CD1-CG 3.49Å; I70-K162 VanDerWaalsContact CD1-CG 3.49Å | ||
| 71 | P | 84.8 | Confident | 89.1 | Confident | 48 Ų | 48 | 58 Ų | 58 | 31% | 0.312 | 29% | 0.29 | S | S | . | . | trans | -62.4 | 134.7 | 172.9 | -22.9 | 33.4 | 0 | 0 | 0 | 111.8 | N69 H73 L74 | N69-P71 WeakPolarHBondContact O-CD 3.32Å; P71-H73 WeakPolarHBondContact CB-CE1 3.3Å; P71-H73 VanDerWaalsContact CB-ND1 3.29Å; P71-H73 WeakPolarHBondContact CB-ND1 3.42Å; P71-H73 PolarHBondContact O-N 3.03Å; P71-L74 HydrophobicContact CB-CG 4.33Å; P71-L74 HydrophobicContact CG-CD1 4.19Å; P71-L74 PolarHBondContact O-N 3.28Å | ||
| 72 | P | 83.8 | Confident | 88.7 | Confident | 63 Ų | 63 | 57 Ų | 57 | 41% | 0.409 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -55.6 | -32.2 | -176.3 | -30.2 | 35.5 | 0 | 0 | 0 | 115 | W66 L74 L75 | W66-P72 HydrophobicContact CH2-CG 4.15Å; P72-L74 PolarHBondContact O-N 3.12Å; P72-L75 WeakPolarHBondContact O-CB 3.49Å; P72-L75 PolarHBondContact O-N 2.95Å; P72-L75 VanDerWaalsContact O-N 3.09Å |
| 73 | H | 82.3 | Confident | 88.2 | Confident | 86 Ų | 86 | 57.6 Ų | 57.6 | 40% | 0.398 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.5 | -11.1 | 179.1 | 69.8 | -82.5 | 0 | 0 | 0 | 114.8 | P71 Q77 | P71-H73 WeakPolarHBondContact CB-CE1 3.3Å; P71-H73 VanDerWaalsContact CB-ND1 3.29Å; P71-H73 WeakPolarHBondContact CB-ND1 3.42Å; P71-H73 PolarHBondContact O-N 3.03Å; H73-Q77 PolarHBondContact O-NE2 3.14Å |
| 74 | L | 84 | Confident | 87.8 | Confident | 51 Ų | 51 | 60.1 Ų | 60.1 | 27% | 0.267 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -89.1 | -18.8 | 173.4 | -58.8 | -173.7 | 0 | 0 | 0 | 112 | I70 P71 P72 D76 Q77 V158 | I70-L74 HydrophobicContact CG2-CB 4.16Å; P71-L74 HydrophobicContact CB-CG 4.33Å; P71-L74 HydrophobicContact CG-CD1 4.19Å; P71-L74 PolarHBondContact O-N 3.28Å; P72-L74 PolarHBondContact O-N 3.12Å; L74-D76 VanDerWaalsContact C-N 3.33Å; L74-D76 PolarHBondContact O-N 3.22Å; L74-Q77 PolarHBondContact O-N 3.3Å; L74-V158 HydrophobicContact CB-CG1 3.93Å |
| 75 | L | 83.4 | Confident | 86.9 | Confident | 38 Ų | 38 | 69.1 Ų | 69.1 | 20% | 0.199 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -73.3 | -24.9 | -173.4 | -55.9 | 178.6 | 0 | 0 | 0 | 113.6 | P65 I70 P72 L155 | P65-L75 HydrophobicContact CB-CD1 4.16Å; P65-L75 HydrophobicContact CB-CD2 3.84Å; P65-L75 HydrophobicContact CG-CD2 4.19Å; I70-L75 HydrophobicContact CB-CD2 4.16Å; I70-L75 HydrophobicContact CG2-CD2 3.5Å; I70-L75 VanDerWaalsContact CG2-CD2 3.5Å; I70-L75 HydrophobicContact CG2-CG 4.29Å; P72-L75 WeakPolarHBondContact O-CB 3.49Å; P72-L75 PolarHBondContact O-N 2.95Å; P72-L75 VanDerWaalsContact O-N 3.09Å; L75-L155 HydrophobicContact CD2-CD1 3.66Å |
| 76 | D | 79.7 | Confident | 86.1 | Confident | 125 Ų | 125 | 75.1 Ų | 75.1 | 67% | 0.668 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 6.5 | -178.4 | -60.9 | -38.1 | 0 | 0 | 0 | 113 | L74 | L74-D76 VanDerWaalsContact C-N 3.33Å; L74-D76 PolarHBondContact O-N 3.22Å |
| 77 | Q | 79.6 | Confident | 85.6 | Confident | 86 Ų | 86 | 73.9 Ų | 73.9 | 40% | 0.402 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 126.6 | -179.4 | -66.5 | -177 | 12.1 | 0 | 0 | 110.3 | H73 L74 R154 | H73-Q77 PolarHBondContact O-NE2 3.14Å; L74-Q77 PolarHBondContact O-N 3.3Å; Q77-R154 WeakPolarHBondContact O-CD 3.31Å; Q77-R154 VanDerWaalsContact O-CG 3.28Å; Q77-R154 WeakPolarHBondContact O-CG 3.44Å |
| 78 | E | 83.2 | Confident | 85.4 | Confident | 132 Ų | 132 | 81 Ų | 81 | 62% | 0.617 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 139.9 | 171.2 | -71.3 | -58.9 | 137.9 | 0 | 0 | 110.1 | E80 R154 | E78-E80 PolarHBondContact O-N 2.89Å; E78-R154 WeakPolarHBondContact OE1-CD 3.41Å; E78-R154 IonicContact OE1-NH1 2.82Å; E78-R154 PolarHBondContact OE1-NH1 3.02Å |
| 79 | P | 82.8 | Confident | 85.3 | Confident | 31 Ų | 31 | 82.2 Ų | 82.2 | 20% | 0.201 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 133.3 | 178.2 | -17.9 | 30.9 | 0 | 0 | 0 | 110.4 | R154 | P79-R154 HydrophobicContact CG-CB 4.39Å; P79-R154 HydrophobicContact CG-CG 4.44Å |
| 80 | E | 84.9 | Confident | 85.4 | Confident | 121 Ų | 121 | 83.8 Ų | 83.8 | 57% | 0.565 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 151.7 | 171.6 | -71.3 | 168.3 | 161.1 | 0 | 0 | 110.2 | E78 R126 R130 | E78-E80 PolarHBondContact O-N 2.89Å; E80-R126 WeakPolarHBondContact O-CD 3.02Å; E80-R126 PolarHBondContact O-NE 3.18Å; E80-R130 IonicContact OE1-NH2 3.23Å; E80-R130 IonicContact OE2-CZ 2.72Å; E80-R130 IonicContact OE2-NE 3.74Å; E80-R130 PolarHBondContact OE2-NE 3.16Å; E80-R130 IonicContact OE2-NH2 2.99Å; E80-R130 PolarHBondContact OE2-NH2 3.48Å |
| 81 | K | 86.4 | Confident | 85.5 | Confident | 204 Ų | 204 | 89 Ų | 89 | 89% | 0.887 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 138.7 | 172.8 | -68 | -172.4 | 177.9 | -174.1 | 0 | 109.9 | ||
| 82 | V | 88.5 | Confident | 86 | Confident | 23 Ų | 23 | 90.4 Ų | 90.4 | 14% | 0.139 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -97.5 | 133.1 | 177.3 | 174.9 | 0 | 0 | 0 | 0 | 109.8 | R84 D122 L125 R126 | V82-R84 HydrophobicContact CG1-CG 4.17Å; V82-R84 PolarHBondContact O-N 3.11Å; V82-D122 HydrophobicContact CG2-CB 4.35Å; V82-D122 WeakPolarHBondContact CG2-O 3.39Å; V82-L125 HydrophobicContact CG1-CB 3.58Å; V82-L125 HydrophobicContact CG1-CD1 3.87Å; V82-L125 HydrophobicContact CG1-CG 4.42Å; V82-R126 HydrophobicContact CG2-CB 4.02Å; V82-R126 HydrophobicContact CG2-CG 3.47Å; V82-R126 VanDerWaalsContact CG2-CG 3.47Å |
| 83 | E | 86.2 | Confident | 86.6 | Confident | 122 Ų | 122 | 87.4 Ų | 87.4 | 57% | 0.57 | 42% | 0.419 | S | S | * | . | trans | -88.3 | 94.1 | 167 | -67.3 | -174.2 | -178.8 | 0 | 0 | 109.6 | N86 | E83-N86 HydrophobicContact CB-CB 4.43Å; E83-N86 PolarHBondContact OE2-ND2 3.38Å | ||
| 84 | R | 89.6 | Confident | 87.3 | Confident | 52 Ų | 52 | 85.2 Ų | 85.2 | 20% | 0.196 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -64.6 | -42.2 | -175.4 | -61.1 | -175.5 | 179.5 | 177.3 | 2.8 | 113.1 | V82 N86 N87 Y90 E118 D122 L125 | V82-R84 HydrophobicContact CG1-CG 4.17Å; V82-R84 PolarHBondContact O-N 3.11Å; R84-N86 PolarHBondContact O-N 2.96Å; R84-N87 PolarHBondContact O-N 2.92Å; R84-N87 VanDerWaalsContact O-N 3.1Å; R84-Y90 HydrophobicContact CB-CD1 4.46Å; R84-Y90 HydrophobicContact CB-CD2 4.07Å; R84-Y90 HydrophobicContact CB-CE1 4.43Å; R84-Y90 HydrophobicContact CB-CE2 4.02Å; R84-Y90 HydrophobicContact CB-CG 4.27Å; R84-Y90 HydrophobicContact CG-CE2 4.28Å; R84-Y90 WeakPolarHBondContact O-CB 3.45Å; R84-E118 IonicContact CZ-OE2 3.72Å; R84-E118 IonicContact NH1-OE2 3.52Å; R84-E118 PolarHBondContact NH1-OE2 3.23Å; R84-E118 IonicContact NH2-OE2 2.87Å; R84-E118 PolarHBondContact NH2-OE2 3.34Å; R84-D122 IonicContact CZ-OD1 2.61Å; R84-D122 VanDerWaalsContact CZ-OD1 3.29Å; R84-D122 IonicContact CZ-OD2 2.74Å; R84-D122 IonicContact NE-OD1 3.36Å; R84-D122 PolarHBondContact NE-OD1 3Å; R84-D122 IonicContact NE-OD2 2.78Å; R84-D122 VanDerWaalsContact NH2-CG 3.3Å; R84-D122 IonicContact NH2-OD1 3.48Å; R84-D122 PolarHBondContact NH2-OD1 3.09Å; R84-D122 VanDerWaalsContact NH2-OD1 3.09Å; R84-D122 IonicContact NH2-OD2 3.13Å; R84-D122 PolarHBondContact NH2-OD2 3.08Å; R84-L125 HydrophobicContact CB-CD1 4.27Å; R84-L125 HydrophobicContact CG-CD1 3.89Å |
| 85 | E | 78.2 | Confident | 87.8 | Confident | 190 Ų | 190 | 87.1 Ų | 87.1 | 89% | 0.888 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -25.5 | -174.2 | -62.8 | 179.3 | 172.6 | 0 | 0 | 113.3 | ||
| 86 | N | 80.1 | Confident | 88.4 | Confident | 129 Ų | 129 | 85.3 Ų | 85.3 | 69% | 0.69 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -1.2 | 179.4 | -69.9 | -25.9 | 0 | 0 | 0 | 113 | E83 R84 | E83-N86 HydrophobicContact CB-CB 4.43Å; E83-N86 PolarHBondContact OE2-ND2 3.38Å; R84-N86 PolarHBondContact O-N 2.96Å |
| 87 | N | 85.6 | Confident | 89.1 | Confident | 25 Ų | 25 | 79.4 Ų | 79.4 | 13% | 0.134 | 38% | 0.379 | C | S | . | . | trans | -94.6 | 118.6 | -177.1 | -167.1 | -50.2 | 0 | 0 | 0 | 111.4 | R84 D89 Y90 L125 | R84-N87 PolarHBondContact O-N 2.92Å; R84-N87 VanDerWaalsContact O-N 3.1Å; N87-D89 PolarHBondContact O-N 3.47Å; N87-D89 VanDerWaalsContact O-N 3.13Å; N87-D89 WeakPolarHBondContact OD1-CB 3.4Å; N87-D89 PolarHBondContact OD1-N 2.93Å; N87-Y90 WeakPolarHBondContact O-CB 3.39Å; N87-Y90 PolarHBondContact O-N 3.34Å; N87-Y90 VanDerWaalsContact O-N 3.14Å; N87-L125 HydrophobicContact CB-CD2 4.13Å | ||
| 88 | K | 90.9 | Very high | 89.6 | Confident | 149 Ų | 149 | 80.4 Ų | 80.4 | 65% | 0.648 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -28.1 | 179.8 | 68.7 | 178.9 | -176.1 | 177.7 | 0 | 113.6 | ||
| 89 | D | 92.9 | Very high | 89.9 | Confident | 27 Ų | 27 | 81.2 Ų | 81.2 | 14% | 0.144 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -8 | -174.4 | -58.5 | -58 | 0 | 0 | 0 | 112.2 | N87 N91 Q92 V93 L128 | N87-D89 PolarHBondContact O-N 3.47Å; N87-D89 VanDerWaalsContact O-N 3.13Å; N87-D89 WeakPolarHBondContact OD1-CB 3.4Å; N87-D89 PolarHBondContact OD1-N 2.93Å; D89-N91 PolarHBondContact O-N 3.09Å; D89-Q92 PolarHBondContact O-N 2.97Å; D89-Q92 VanDerWaalsContact O-N 3.1Å; D89-V93 HydrophobicContact CB-CG2 4.37Å; D89-V93 WeakPolarHBondContact O-CG2 3.37Å; D89-V93 PolarHBondContact O-N 3.41Å; D89-L128 HydrophobicContact CB-CD1 4.03Å |
| 90 | Y | 95 | Very high | 89.9 | Confident | 53 Ų | 53 | 80 Ų | 80 | 21% | 0.208 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -53 | -50.2 | -173 | 172.7 | -125.4 | 0 | 0 | 0 | 113.8 | R84 N87 Q92 V93 L94 I121 L125 | R84-Y90 HydrophobicContact CB-CD1 4.46Å; R84-Y90 HydrophobicContact CB-CD2 4.07Å; R84-Y90 HydrophobicContact CB-CE1 4.43Å; R84-Y90 HydrophobicContact CB-CE2 4.02Å; R84-Y90 HydrophobicContact CB-CG 4.27Å; R84-Y90 HydrophobicContact CG-CE2 4.28Å; R84-Y90 WeakPolarHBondContact O-CB 3.45Å; N87-Y90 WeakPolarHBondContact O-CB 3.39Å; N87-Y90 PolarHBondContact O-N 3.34Å; N87-Y90 VanDerWaalsContact O-N 3.14Å; Y90-Q92 VanDerWaalsContact C-N 3.3Å; Y90-Q92 PolarHBondContact O-N 2.98Å; Y90-V93 PolarHBondContact O-N 3.15Å; Y90-L94 HydrophobicContact CE2-CB 4.47Å; Y90-L94 WeakPolarHBondContact O-CB 3.37Å; Y90-L94 PolarHBondContact O-N 3.37Å; Y90-I121 HydrophobicContact CD2-CG2 4.1Å; Y90-I121 HydrophobicContact CE2-CG2 3.92Å; Y90-L125 HydrophobicContact CD2-CD1 3.79Å |
| 91 | N | 94.6 | Very high | 89.7 | Confident | 115 Ų | 115 | 78.2 Ų | 78.2 | 62% | 0.615 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.1 | -39 | -178.3 | -70.3 | -38 | 0 | 0 | 0 | 112 | D89 L95 | D89-N91 PolarHBondContact O-N 3.09Å; N91-L95 VanDerWaalsContact O-CG 3.31Å; N91-L95 WeakPolarHBondContact O-CG 3.38Å; N91-L95 PolarHBondContact O-N 2.89Å; N91-L95 VanDerWaalsContact O-N 3.13Å |
| 92 | Q | 95.3 | Very high | 89.6 | Confident | 77 Ų | 77 | 80 Ų | 80 | 36% | 0.36 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69 | -43.8 | 178.2 | -174.7 | 60.9 | 54.9 | 0 | 0 | 111 | D89 Y90 L95 D96 Y136 | D89-Q92 PolarHBondContact O-N 2.97Å; D89-Q92 VanDerWaalsContact O-N 3.1Å; Y90-Q92 VanDerWaalsContact C-N 3.3Å; Y90-Q92 PolarHBondContact O-N 2.98Å; Q92-L95 PolarHBondContact O-N 3.23Å; Q92-D96 PolarHBondContact NE2-OD1 2.88Å; Q92-D96 WeakPolarHBondContact O-CB 3.39Å; Q92-D96 VanDerWaalsContact O-CG 3.32Å; Q92-D96 PolarHBondContact O-N 3.37Å; Q92-Y136 HydrophobicContact CG-CD1 3.95Å; Q92-Y136 HydrophobicContact CG-CE1 3.76Å |
| 93 | V | 96.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 176.8 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | D89 Y90 L95 D96 V97 I121 I124 L125 Y136 | D89-V93 HydrophobicContact CB-CG2 4.37Å; D89-V93 WeakPolarHBondContact O-CG2 3.37Å; D89-V93 PolarHBondContact O-N 3.41Å; Y90-V93 PolarHBondContact O-N 3.15Å; V93-L95 PolarHBondContact O-N 3.14Å; V93-D96 PolarHBondContact O-N 3.48Å; V93-V97 HydrophobicContact CG1-CG2 4.23Å; V93-V97 WeakPolarHBondContact O-CB 3.39Å; V93-V97 VanDerWaalsContact O-CG2 3.32Å; V93-V97 WeakPolarHBondContact O-CG2 3.43Å; V93-V97 PolarHBondContact O-N 3.3Å; V93-I121 HydrophobicContact CG1-CB 4.47Å; V93-I121 HydrophobicContact CG1-CG1 4.23Å; V93-I121 HydrophobicContact CG1-CG2 4.36Å; V93-I124 HydrophobicContact CG1-CB 4.12Å; V93-I124 HydrophobicContact CG1-CD1 3.83Å; V93-I124 HydrophobicContact CG1-CG2 3.98Å; V93-I124 HydrophobicContact CG2-CG2 3.64Å; V93-L125 HydrophobicContact CB-CD2 4.44Å; V93-L125 HydrophobicContact CG2-CD2 4.14Å; V93-Y136 HydrophobicContact CG2-CD1 4.4Å; V93-Y136 HydrophobicContact CG2-CD2 3.8Å; V93-Y136 HydrophobicContact CG2-CE1 4.36Å; V93-Y136 HydrophobicContact CG2-CE2 3.74Å; V93-Y136 HydrophobicContact CG2-CG 4.14Å |
| 94 | L | 95.4 | Very high | 89.4 | Confident | 39 Ų | 39 | 75 Ų | 75 | 20% | 0.204 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.7 | -49.1 | 177.8 | 178.6 | 63.9 | 0 | 0 | 0 | 111.8 | Y90 D96 V97 Q98 I121 | Y90-L94 HydrophobicContact CE2-CB 4.47Å; Y90-L94 WeakPolarHBondContact O-CB 3.37Å; Y90-L94 PolarHBondContact O-N 3.37Å; L94-D96 VanDerWaalsContact C-N 3.29Å; L94-D96 PolarHBondContact O-N 3.36Å; L94-V97 PolarHBondContact O-N 3.36Å; L94-Q98 HydrophobicContact CD1-CG 4.44Å; L94-Q98 WeakPolarHBondContact O-CB 3.47Å; L94-Q98 VanDerWaalsContact O-CG 3.28Å; L94-Q98 WeakPolarHBondContact O-CG 3.25Å; L94-Q98 PolarHBondContact O-N 3.44Å; L94-I121 HydrophobicContact CD1-CD1 3.69Å |
| 95 | L | 95.1 | Very high | 89.2 | Confident | 91 Ų | 91 | 75.6 Ų | 75.6 | 48% | 0.476 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.9 | -36.2 | 178.7 | -73.2 | 173 | 0 | 0 | 0 | 112.5 | N91 Q92 V93 R99 | N91-L95 VanDerWaalsContact O-CG 3.31Å; N91-L95 WeakPolarHBondContact O-CG 3.38Å; N91-L95 PolarHBondContact O-N 2.89Å; N91-L95 VanDerWaalsContact O-N 3.13Å; Q92-L95 PolarHBondContact O-N 3.23Å; V93-L95 PolarHBondContact O-N 3.14Å; L95-R99 VanDerWaalsContact O-CG 3.31Å; L95-R99 WeakPolarHBondContact O-CG 3.15Å; L95-R99 PolarHBondContact O-N 2.96Å; L95-R99 PolarHBondContact O-NE 2.74Å |
| 96 | D | 95.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.5 | -49 | 177.9 | -77.5 | 3.3 | 0 | 0 | 0 | 111.3 | Q92 V93 L94 Q98 R99 S100 Y136 H141 | Q92-D96 PolarHBondContact NE2-OD1 2.88Å; Q92-D96 WeakPolarHBondContact O-CB 3.39Å; Q92-D96 VanDerWaalsContact O-CG 3.32Å; Q92-D96 PolarHBondContact O-N 3.37Å; V93-D96 PolarHBondContact O-N 3.48Å; L94-D96 VanDerWaalsContact C-N 3.29Å; L94-D96 PolarHBondContact O-N 3.36Å; D96-Q98 VanDerWaalsContact C-N 3.29Å; D96-Q98 PolarHBondContact O-N 2.94Å; D96-R99 WeakPolarHBondContact O-CA 3.21Å; D96-R99 WeakPolarHBondContact O-CB 3.23Å; D96-R99 PolarHBondContact O-N 3.01Å; D96-R99 IonicContact OD1-CZ 3.7Å; D96-R99 IonicContact OD1-NE 3.29Å; D96-R99 IonicContact OD1-NH2 3.09Å; D96-R99 PolarHBondContact OD1-NH2 3.36Å; D96-S100 PolarHBondContact O-N 3.04Å; D96-S100 PolarHBondContact O-OG 2.83Å; D96-Y136 WeakPolarHBondContact CB-OH 3.44Å; D96-Y136 WeakPolarHBondContact OD2-CE1 3.32Å; D96-Y136 VanDerWaalsContact OD2-CZ 3.29Å; D96-Y136 PolarHBondContact OD2-OH 3.37Å; D96-H141 IonicContact OD2-ND1 3.04Å |
| 97 | V | 94.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.006 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61 | -36.6 | 179.3 | 168.7 | 0 | 0 | 0 | 0 | 112.3 | V93 L94 R99 S100 Q117 L120 I121 I124 H141 | V93-V97 HydrophobicContact CG1-CG2 4.23Å; V93-V97 WeakPolarHBondContact O-CB 3.39Å; V93-V97 VanDerWaalsContact O-CG2 3.32Å; V93-V97 WeakPolarHBondContact O-CG2 3.43Å; V93-V97 PolarHBondContact O-N 3.3Å; L94-V97 PolarHBondContact O-N 3.36Å; V97-R99 PolarHBondContact O-N 2.84Å; V97-S100 WeakPolarHBondContact CA-OG 3.49Å; V97-S100 PolarHBondContact O-N 2.9Å; V97-Q117 HydrophobicContact CG1-CB 3.69Å; V97-Q117 HydrophobicContact CG1-CG 3.75Å; V97-Q117 PolarHBondContact O-NE2 2.72Å; V97-Q117 VanDerWaalsContact O-NE2 3.1Å; V97-L120 HydrophobicContact CB-CD2 4.41Å; V97-L120 HydrophobicContact CG1-CD2 3.99Å; V97-L120 HydrophobicContact CG2-CD2 3.7Å; V97-L120 HydrophobicContact CG2-CG 3.85Å; V97-I121 HydrophobicContact CB-CG1 4.17Å; V97-I121 HydrophobicContact CG1-CD1 4.33Å; V97-I121 HydrophobicContact CG1-CG1 4.15Å; V97-I121 HydrophobicContact CG2-CG1 3.97Å; V97-I124 HydrophobicContact CG2-CD1 4.48Å; V97-H141 HydrophobicContact CG2-CB 4.33Å |
| 98 | Q | 90.6 | Very high | 90 | Very high | 106 Ų | 106 | 71.4 Ų | 71.4 | 50% | 0.495 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.9 | -27.7 | 174.5 | -75.4 | 176.4 | -7.4 | 0 | 0 | 112.8 | L94 D96 | L94-Q98 HydrophobicContact CD1-CG 4.44Å; L94-Q98 WeakPolarHBondContact O-CB 3.47Å; L94-Q98 VanDerWaalsContact O-CG 3.28Å; L94-Q98 WeakPolarHBondContact O-CG 3.25Å; L94-Q98 PolarHBondContact O-N 3.44Å; D96-Q98 VanDerWaalsContact C-N 3.29Å; D96-Q98 PolarHBondContact O-N 2.94Å |
| 99 | R | 89.1 | Confident | 90.1 | Very high | 149 Ų | 149 | 68 Ų | 68 | 56% | 0.562 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -84.9 | -12.5 | 178.3 | -68.5 | -178.9 | -72.8 | -179.1 | 2.1 | 113 | L95 D96 V97 L101 | L95-R99 VanDerWaalsContact O-CG 3.31Å; L95-R99 WeakPolarHBondContact O-CG 3.15Å; L95-R99 PolarHBondContact O-N 2.96Å; L95-R99 PolarHBondContact O-NE 2.74Å; D96-R99 WeakPolarHBondContact O-CA 3.21Å; D96-R99 WeakPolarHBondContact O-CB 3.23Å; D96-R99 PolarHBondContact O-N 3.01Å; D96-R99 IonicContact OD1-CZ 3.7Å; D96-R99 IonicContact OD1-NE 3.29Å; D96-R99 IonicContact OD1-NH2 3.09Å; D96-R99 PolarHBondContact OD1-NH2 3.36Å; V97-R99 PolarHBondContact O-N 2.84Å; R99-L101 VanDerWaalsContact C-N 3.31Å; R99-L101 PolarHBondContact O-N 3.2Å |
| 100 | S | 83.7 | Confident | 90 | Very high | 5 Ų | 5 | 71.6 Ų | 71.6 | 4% | 0.035 | 37% | 0.374 | C | S | . | . | trans | -86 | 15.9 | -174.6 | -31.9 | 0 | 0 | 0 | 0 | 115.1 | D96 V97 R102 R103 H141 | D96-S100 PolarHBondContact O-N 3.04Å; D96-S100 PolarHBondContact O-OG 2.83Å; V97-S100 WeakPolarHBondContact CA-OG 3.49Å; V97-S100 PolarHBondContact O-N 2.9Å; S100-R102 PolarHBondContact O-N 3.23Å; S100-R103 WeakPolarHBondContact O-CB 3.47Å; S100-R103 PolarHBondContact O-N 3Å; S100-H141 PolarHBondContact OG-CD2 3.1Å; S100-H141 PolarHBondContact OG-NE2 3.42Å | ||
| 101 | L | 80.1 | Confident | 90 | Very high | 84 Ų | 84 | 77.2 Ų | 77.2 | 44% | 0.44 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -52.1 | -33.3 | -174 | -66.7 | 173.5 | 0 | 0 | 0 | 114 | R99 R103 F104 | R99-L101 VanDerWaalsContact C-N 3.31Å; R99-L101 PolarHBondContact O-N 3.2Å; L101-R103 PolarHBondContact O-N 3.11Å; L101-R103 VanDerWaalsContact O-N 3.16Å; L101-F104 PolarHBondContact O-N 3.43Å |
| 102 | R | 83.1 | Confident | 89.9 | Confident | 243 Ų | 243 | 76.9 Ų | 76.9 | 92% | 0.917 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -65.3 | -14.2 | 179.9 | -63.4 | -177.3 | -178.6 | -177.1 | 0.3 | 114.1 | S100 | S100-R102 PolarHBondContact O-N 3.23Š|
| 103 | R | 84.1 | Confident | 89.8 | Confident | 26 Ų | 26 | 75.2 Ų | 75.2 | 10% | 0.098 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -84.8 | -16.2 | -179.1 | -57.9 | -49.6 | -53.6 | -80.9 | -1.7 | 113.3 | S100 L101 D142 V145 G220 | S100-R103 WeakPolarHBondContact O-CB 3.47Å; S100-R103 PolarHBondContact O-N 3Å; L101-R103 PolarHBondContact O-N 3.11Å; L101-R103 VanDerWaalsContact O-N 3.16Å; R103-D142 WeakPolarHBondContact CG-OD1 3.42Å; R103-D142 IonicContact CZ-OD1 3.98Å; R103-D142 IonicContact NH1-OD1 2.62Å; R103-D142 PolarHBondContact NH1-OD1 3.09Å; R103-V145 HydrophobicContact CB-CG1 4.14Å; R103-V145 HydrophobicContact CG-CG1 4.43Å; R103-G220 VanDerWaalsContact CZ-C 3.41Å; R103-G220 PolarHBondContact NE-O 3.49Å; R103-G220 PolarHBondContact NH1-O 3.05Å; R103-G220 PolarHBondContact NH2-O 3Å |
| 104 | F | 86.9 | Confident | 89.7 | Confident | 12 Ų | 12 | 80.3 Ų | 80.3 | 5% | 0.053 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -83.6 | 144.9 | 176 | -65.1 | -85.1 | 0 | 0 | 0 | 110.5 | L101 M108 R113 L116 Q117 V145 L149 | L101-F104 PolarHBondContact O-N 3.43Å; F104-M108 HydrophobicContact CB-SD 4.2Å; F104-M108 HydrophobicContact CD1-SD 3.88Å; F104-M108 HydrophobicContact CG-SD 4.42Å; F104-R113 HydrophobicContact CB-CG 4.46Å; F104-R113 HydrophobicContact CD1-CG 4.29Å; F104-R113 HydrophobicContact CD2-CG 4.11Å; F104-R113 HydrophobicContact CE2-CG 4.46Å; F104-R113 HydrophobicContact CG-CG 4.01Å; F104-L116 HydrophobicContact CD1-CD1 4.12Å; F104-L116 HydrophobicContact CE1-CB 3.66Å; F104-L116 HydrophobicContact CE1-CD1 3.99Å; F104-L116 HydrophobicContact CE1-CG 4.49Å; F104-L116 HydrophobicContact CZ-CB 4.37Å; F104-Q117 HydrophobicContact CE2-CG 3.97Å; F104-Q117 HydrophobicContact CZ-CG 3.84Å; F104-V145 HydrophobicContact CE1-CG2 4.09Å; F104-V145 HydrophobicContact CE2-CG2 4.41Å; F104-V145 HydrophobicContact CZ-CG2 3.85Å; F104-L149 HydrophobicContact CD1-CD2 4.19Å; F104-L149 HydrophobicContact CE1-CD2 4.36Å |
| 105 | P | 86.1 | Confident | 89.7 | Confident | 65 Ų | 65 | 79.9 Ų | 79.9 | 42% | 0.422 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 136.3 | 177.5 | -28 | 34.1 | 0 | 0 | 0 | 112.8 | G107 M108 | P105-G107 PolarHBondContact O-N 3.5Å; P105-M108 HydrophobicContact CG-CE 4.09Å; P105-M108 WeakPolarHBondContact O-CB 3.28Å; P105-M108 PolarHBondContact O-N 2.96Å |
| 106 | P | 83.8 | Confident | 89.7 | Confident | 136 Ų | 136 | 76.8 Ų | 76.8 | 88% | 0.883 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 131.6 | 177.2 | 26.5 | -33.5 | 0 | 0 | 0 | 110.1 | ||
| 107 | G | 85.6 | Confident | 89.8 | Confident | 82 Ų | 82 | 77.6 Ų | 77.6 | 85% | 0.845 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | 5.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | P105 | P105-G107 PolarHBondContact O-N 3.5Š|
| 108 | M | 90.4 | Very high | 89.8 | Confident | 38 Ų | 38 | 81.4 Ų | 81.4 | 19% | 0.187 | 42% | 0.422 | C | S | . | . | trans | -61.2 | 132.3 | 167.7 | 179.4 | 173.6 | -80 | 0 | 0 | 110.5 | F104 P105 Q112 R113 L116 | F104-M108 HydrophobicContact CB-SD 4.2Å; F104-M108 HydrophobicContact CD1-SD 3.88Å; F104-M108 HydrophobicContact CG-SD 4.42Å; P105-M108 HydrophobicContact CG-CE 4.09Å; P105-M108 WeakPolarHBondContact O-CB 3.28Å; P105-M108 PolarHBondContact O-N 2.96Å; M108-Q112 HydrophobicContact CG-CB 4.25Å; M108-Q112 HydrophobicContact CG-CG 4.27Å; M108-Q112 HydrophobicContact SD-CG 4.36Å; M108-R113 HydrophobicContact CG-CB 4.19Å; M108-R113 HydrophobicContact SD-CB 3.96Å; M108-L116 HydrophobicContact CE-CD1 3.72Å; M108-L116 HydrophobicContact SD-CD1 3.73Å | ||
| 109 | P | 93.7 | Very high | 90.1 | Very high | 78 Ų | 78 | 79.4 Ų | 79.4 | 51% | 0.506 | 41% | 0.413 | S | S | . | . | trans | -58.3 | 142.3 | 174.6 | -23.7 | 33.7 | 0 | 0 | 0 | 112.3 | E111 Q112 R113 | P109-E111 VanDerWaalsContact C-N 3.33Å; P109-E111 PolarHBondContact O-N 3.41Å; P109-Q112 HydrophobicContact CB-CB 4.34Å; P109-Q112 PolarHBondContact O-N 3.22Å; P109-Q112 VanDerWaalsContact O-N 3.16Å; P109-R113 PolarHBondContact O-N 2.96Å | ||
| 110 | D | 91.4 | Very high | 90.4 | Very high | 102 Ų | 102 | 72.3 Ų | 72.3 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | -177.5 | -75 | -37.2 | 0 | 0 | 0 | 112.9 | Q112 R113 E114 | D110-Q112 VanDerWaalsContact C-N 3.33Å; D110-Q112 PolarHBondContact O-N 3.41Å; D110-R113 WeakPolarHBondContact O-CB 3.47Å; D110-R113 PolarHBondContact O-N 3.28Å; D110-R113 VanDerWaalsContact O-N 3.17Å; D110-R113 IonicContact OD1-CZ 3.45Å; D110-R113 IonicContact OD1-NE 2.76Å; D110-R113 PolarHBondContact OD1-NE 3.32Å; D110-R113 IonicContact OD1-NH2 2.75Å; D110-R113 PolarHBondContact OD1-NH2 3.25Å; D110-E114 WeakPolarHBondContact O-CB 3.42Å; D110-E114 VanDerWaalsContact O-CG 3.32Å; D110-E114 WeakPolarHBondContact O-CG 3.3Å; D110-E114 PolarHBondContact O-N 2.8Å |
| 111 | E | 93.4 | Very high | 91.1 | Very high | 172 Ų | 172 | 72.1 Ų | 72.1 | 80% | 0.804 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.4 | -40.7 | 177.9 | -173.2 | 177.6 | -171.7 | 0 | 0 | 112.1 | P109 G115 | P109-E111 VanDerWaalsContact C-N 3.33Å; P109-E111 PolarHBondContact O-N 3.41Å; E111-G115 PolarHBondContact O-N 3.35Å |
| 112 | Q | 93.5 | Very high | 91.9 | Very high | 107 Ų | 107 | 69.5 Ų | 69.5 | 50% | 0.5 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.3 | -42.2 | 175.7 | -177.2 | -179.4 | 1.5 | 0 | 0 | 111.1 | M108 P109 D110 G115 L116 | M108-Q112 HydrophobicContact CG-CB 4.25Å; M108-Q112 HydrophobicContact CG-CG 4.27Å; M108-Q112 HydrophobicContact SD-CG 4.36Å; P109-Q112 HydrophobicContact CB-CB 4.34Å; P109-Q112 PolarHBondContact O-N 3.22Å; P109-Q112 VanDerWaalsContact O-N 3.16Å; D110-Q112 VanDerWaalsContact C-N 3.33Å; D110-Q112 PolarHBondContact O-N 3.41Å; Q112-G115 PolarHBondContact O-N 2.89Å; Q112-L116 WeakPolarHBondContact O-CG 3.26Å; Q112-L116 PolarHBondContact O-N 2.9Å |
| 113 | R | 93.9 | Very high | 92.5 | Very high | 42 Ų | 42 | 58 Ų | 58 | 16% | 0.158 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 178.3 | 178.4 | -179.9 | 57.7 | 70.6 | 0 | 111.2 | F104 M108 P109 D110 G115 L116 Q117 | F104-R113 HydrophobicContact CB-CG 4.46Å; F104-R113 HydrophobicContact CD1-CG 4.29Å; F104-R113 HydrophobicContact CD2-CG 4.11Å; F104-R113 HydrophobicContact CE2-CG 4.46Å; F104-R113 HydrophobicContact CG-CG 4.01Å; M108-R113 HydrophobicContact CG-CB 4.19Å; M108-R113 HydrophobicContact SD-CB 3.96Å; P109-R113 PolarHBondContact O-N 2.96Å; D110-R113 WeakPolarHBondContact O-CB 3.47Å; D110-R113 PolarHBondContact O-N 3.28Å; D110-R113 VanDerWaalsContact O-N 3.17Å; D110-R113 IonicContact OD1-CZ 3.45Å; D110-R113 IonicContact OD1-NE 2.76Å; D110-R113 PolarHBondContact OD1-NE 3.32Å; D110-R113 IonicContact OD1-NH2 2.75Å; D110-R113 PolarHBondContact OD1-NH2 3.25Å; R113-G115 VanDerWaalsContact C-N 3.34Å; R113-L116 PolarHBondContact O-N 3.49Å; R113-Q117 WeakPolarHBondContact O-CG 3.21Å; R113-Q117 PolarHBondContact O-N 2.94Å |
| 114 | E | 93.8 | Very high | 93.2 | Very high | 107 Ų | 107 | 56.7 Ų | 56.7 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 176.5 | -74.4 | 173.2 | -173.9 | 0 | 0 | 110.6 | D110 L116 Q117 E118 | D110-E114 WeakPolarHBondContact O-CB 3.42Å; D110-E114 VanDerWaalsContact O-CG 3.32Å; D110-E114 WeakPolarHBondContact O-CG 3.3Å; D110-E114 PolarHBondContact O-N 2.8Å; E114-L116 VanDerWaalsContact C-N 3.35Å; E114-L116 PolarHBondContact O-N 2.66Å; E114-Q117 WeakPolarHBondContact O-CB 3.46Å; E114-Q117 PolarHBondContact O-N 2.76Å; E114-Q117 VanDerWaalsContact O-N 3.09Å; E114-E118 WeakPolarHBondContact O-CG 3.46Å; E114-E118 PolarHBondContact O-N 3.11Å |
| 115 | G | 95.3 | Very high | 93.7 | Very high | 31 Ų | 31 | 56.1 Ų | 56.1 | 32% | 0.32 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -54.7 | -46.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E111 Q112 R113 Q117 E118 E119 | E111-G115 PolarHBondContact O-N 3.35Å; Q112-G115 PolarHBondContact O-N 2.89Å; R113-G115 VanDerWaalsContact C-N 3.34Å; G115-Q117 VanDerWaalsContact C-N 3.34Å; G115-Q117 PolarHBondContact O-N 2.94Å; G115-E118 WeakPolarHBondContact O-CB 3.04Å; G115-E118 PolarHBondContact O-N 2.96Å; G115-E119 WeakPolarHBondContact O-CG 3.3Å; G115-E119 PolarHBondContact O-N 3.03Å |
| 116 | L | 95.9 | Very high | 94.1 | Very high | 25 Ų | 25 | 53.9 Ų | 53.9 | 13% | 0.131 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.5 | -31.4 | 176.6 | -69.3 | 169.3 | 0 | 0 | 0 | 113.2 | F104 M108 Q112 R113 E114 E118 L120 L148 L149 | F104-L116 HydrophobicContact CD1-CD1 4.12Å; F104-L116 HydrophobicContact CE1-CB 3.66Å; F104-L116 HydrophobicContact CE1-CD1 3.99Å; F104-L116 HydrophobicContact CE1-CG 4.49Å; F104-L116 HydrophobicContact CZ-CB 4.37Å; M108-L116 HydrophobicContact CE-CD1 3.72Å; M108-L116 HydrophobicContact SD-CD1 3.73Å; Q112-L116 WeakPolarHBondContact O-CG 3.26Å; Q112-L116 PolarHBondContact O-N 2.9Å; R113-L116 PolarHBondContact O-N 3.49Å; E114-L116 VanDerWaalsContact C-N 3.35Å; E114-L116 PolarHBondContact O-N 2.66Å; L116-E118 VanDerWaalsContact C-N 3.35Å; L116-L120 WeakPolarHBondContact O-CB 3.38Å; L116-L120 PolarHBondContact O-N 3.34Å; L116-L148 HydrophobicContact CB-CD2 4.25Å; L116-L148 HydrophobicContact CD2-CD1 4.22Å; L116-L148 HydrophobicContact CD2-CD2 4.1Å; L116-L148 HydrophobicContact CD2-CG 4.07Å; L116-L148 WeakPolarHBondContact O-CD2 3.28Å; L116-L149 HydrophobicContact CD1-CD2 3.93Å |
| 117 | Q | 96 | Very high | 94.7 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 9% | 0.089 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 174.2 | -74.6 | 179.8 | -61.4 | 0 | 0 | 111.1 | V97 F104 R113 E114 G115 L120 I121 | V97-Q117 HydrophobicContact CG1-CB 3.69Å; V97-Q117 HydrophobicContact CG1-CG 3.75Å; V97-Q117 PolarHBondContact O-NE2 2.72Å; V97-Q117 VanDerWaalsContact O-NE2 3.1Å; F104-Q117 HydrophobicContact CE2-CG 3.97Å; F104-Q117 HydrophobicContact CZ-CG 3.84Å; R113-Q117 WeakPolarHBondContact O-CG 3.21Å; R113-Q117 PolarHBondContact O-N 2.94Å; E114-Q117 WeakPolarHBondContact O-CB 3.46Å; E114-Q117 PolarHBondContact O-N 2.76Å; E114-Q117 VanDerWaalsContact O-N 3.09Å; G115-Q117 VanDerWaalsContact C-N 3.34Å; G115-Q117 PolarHBondContact O-N 2.94Å; Q117-L120 WeakPolarHBondContact O-CB 3.29Å; Q117-L120 PolarHBondContact O-N 2.85Å; Q117-I121 WeakPolarHBondContact O-CD1 3.5Å; Q117-I121 VanDerWaalsContact O-CG1 3.25Å; Q117-I121 WeakPolarHBondContact O-CG1 3.23Å; Q117-I121 PolarHBondContact O-N 3.37Å |
| 118 | E | 95.3 | Very high | 95.1 | Very high | 80 Ų | 80 | 43.9 Ų | 43.9 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.9 | -47.2 | 174.8 | -65.5 | -64.1 | 126.6 | 0 | 0 | 111.5 | R84 E114 G115 L116 L120 I121 D122 | R84-E118 IonicContact CZ-OE2 3.72Å; R84-E118 IonicContact NH1-OE2 3.52Å; R84-E118 PolarHBondContact NH1-OE2 3.23Å; R84-E118 IonicContact NH2-OE2 2.87Å; R84-E118 PolarHBondContact NH2-OE2 3.34Å; E114-E118 WeakPolarHBondContact O-CG 3.46Å; E114-E118 PolarHBondContact O-N 3.11Å; G115-E118 WeakPolarHBondContact O-CB 3.04Å; G115-E118 PolarHBondContact O-N 2.96Å; L116-E118 VanDerWaalsContact C-N 3.35Å; E118-L120 VanDerWaalsContact C-N 3.32Å; E118-L120 PolarHBondContact O-N 2.95Å; E118-I121 PolarHBondContact O-N 3.34Å; E118-D122 PolarHBondContact O-N 2.8Å |
| 119 | E | 96.3 | Very high | 95.3 | Very high | 65 Ų | 65 | 47.2 Ų | 47.2 | 30% | 0.304 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.3 | -42.3 | 174.4 | -71.5 | 175.1 | -164.7 | 0 | 0 | 111.6 | G115 D122 I123 L148 E153 | G115-E119 WeakPolarHBondContact O-CG 3.3Å; G115-E119 PolarHBondContact O-N 3.03Å; E119-D122 PolarHBondContact O-N 3.49Å; E119-I123 WeakPolarHBondContact O-CD1 3.19Å; E119-I123 WeakPolarHBondContact O-CG1 3.47Å; E119-I123 PolarHBondContact O-N 3.43Å; E119-L148 HydrophobicContact CB-CD1 4.26Å; E119-L148 HydrophobicContact CB-CD2 4.15Å; E119-L148 WeakPolarHBondContact OE2-CD1 3.37Å; E119-E153 HydrophobicContact CB-CB 4.45Å; E119-E153 HydrophobicContact CB-CG 4.21Å; E119-E153 HydrophobicContact CG-CB 4.42Å; E119-E153 HydrophobicContact CG-CG 4.34Å |
| 120 | L | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 177.6 | 175.6 | 57.9 | 0 | 0 | 0 | 112.2 | V97 L116 Q117 E118 D122 I123 I124 V144 V145 L148 | V97-L120 HydrophobicContact CB-CD2 4.41Å; V97-L120 HydrophobicContact CG1-CD2 3.99Å; V97-L120 HydrophobicContact CG2-CD2 3.7Å; V97-L120 HydrophobicContact CG2-CG 3.85Å; L116-L120 WeakPolarHBondContact O-CB 3.38Å; L116-L120 PolarHBondContact O-N 3.34Å; Q117-L120 WeakPolarHBondContact O-CB 3.29Å; Q117-L120 PolarHBondContact O-N 2.85Å; E118-L120 VanDerWaalsContact C-N 3.32Å; E118-L120 PolarHBondContact O-N 2.95Å; L120-D122 VanDerWaalsContact C-N 3.32Å; L120-I123 PolarHBondContact O-N 3.31Å; L120-I124 HydrophobicContact CD1-CD1 3.97Å; L120-I124 HydrophobicContact CD1-CG1 4.42Å; L120-I124 HydrophobicContact CG-CD1 4.2Å; L120-I124 WeakPolarHBondContact O-CG1 3.24Å; L120-I124 PolarHBondContact O-N 3.35Å; L120-V144 HydrophobicContact CD1-CB 3.58Å; L120-V144 HydrophobicContact CD1-CG1 3.48Å; L120-V144 VanDerWaalsContact CD1-CG1 3.48Å; L120-V145 HydrophobicContact CD1-CB 4.08Å; L120-V145 HydrophobicContact CD2-CB 3.78Å; L120-V145 HydrophobicContact CD2-CG2 3.97Å; L120-L148 HydrophobicContact CB-CD2 3.86Å |
| 121 | I | 96.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.1 | -50.4 | 175.3 | -69.5 | 162.9 | 0 | 0 | 0 | 109.1 | Y90 V93 L94 V97 Q117 E118 I123 I124 L125 | Y90-I121 HydrophobicContact CD2-CG2 4.1Å; Y90-I121 HydrophobicContact CE2-CG2 3.92Å; V93-I121 HydrophobicContact CG1-CB 4.47Å; V93-I121 HydrophobicContact CG1-CG1 4.23Å; V93-I121 HydrophobicContact CG1-CG2 4.36Å; L94-I121 HydrophobicContact CD1-CD1 3.69Å; V97-I121 HydrophobicContact CB-CG1 4.17Å; V97-I121 HydrophobicContact CG1-CD1 4.33Å; V97-I121 HydrophobicContact CG1-CG1 4.15Å; V97-I121 HydrophobicContact CG2-CG1 3.97Å; Q117-I121 WeakPolarHBondContact O-CD1 3.5Å; Q117-I121 VanDerWaalsContact O-CG1 3.25Å; Q117-I121 WeakPolarHBondContact O-CG1 3.23Å; Q117-I121 PolarHBondContact O-N 3.37Å; E118-I121 PolarHBondContact O-N 3.34Å; I121-I123 VanDerWaalsContact C-N 3.35Å; I121-I123 PolarHBondContact O-N 2.91Å; I121-I124 PolarHBondContact O-N 3.39Å; I121-L125 HydrophobicContact CG2-CD1 3.72Å; I121-L125 HydrophobicContact CG2-CG 4.24Å; I121-L125 VanDerWaalsContact O-CG 3.29Å; I121-L125 WeakPolarHBondContact O-CG 3.38Å; I121-L125 PolarHBondContact O-N 3.22Å |
| 122 | D | 96.6 | Very high | 95.4 | Very high | 29 Ų | 29 | 39.9 Ų | 39.9 | 16% | 0.155 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.5 | -40.4 | -176.6 | -72.2 | -26.6 | 0 | 0 | 0 | 112.3 | V82 R84 E118 E119 L120 I124 L125 R126 | V82-D122 HydrophobicContact CG2-CB 4.35Å; V82-D122 WeakPolarHBondContact CG2-O 3.39Å; R84-D122 IonicContact CZ-OD1 2.61Å; R84-D122 VanDerWaalsContact CZ-OD1 3.29Å; R84-D122 IonicContact CZ-OD2 2.74Å; R84-D122 IonicContact NE-OD1 3.36Å; R84-D122 PolarHBondContact NE-OD1 3Å; R84-D122 IonicContact NE-OD2 2.78Å; R84-D122 VanDerWaalsContact NH2-CG 3.3Å; R84-D122 IonicContact NH2-OD1 3.48Å; R84-D122 PolarHBondContact NH2-OD1 3.09Å; R84-D122 VanDerWaalsContact NH2-OD1 3.09Å; R84-D122 IonicContact NH2-OD2 3.13Å; R84-D122 PolarHBondContact NH2-OD2 3.08Å; E118-D122 PolarHBondContact O-N 2.8Å; E119-D122 PolarHBondContact O-N 3.49Å; L120-D122 VanDerWaalsContact C-N 3.32Å; D122-I124 PolarHBondContact O-N 3.24Å; D122-L125 PolarHBondContact O-N 3.47Å; D122-R126 VanDerWaalsContact O-CB 3.27Å; D122-R126 WeakPolarHBondContact O-CB 3.31Å; D122-R126 PolarHBondContact O-N 3.46Å |
| 123 | I | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.3 | -50.2 | 174.8 | -65.7 | 159.9 | 0 | 0 | 0 | 111 | E119 L120 I121 L125 R126 V127 V144 L148 E153 A156 | E119-I123 WeakPolarHBondContact O-CD1 3.19Å; E119-I123 WeakPolarHBondContact O-CG1 3.47Å; E119-I123 PolarHBondContact O-N 3.43Å; L120-I123 PolarHBondContact O-N 3.31Å; I121-I123 VanDerWaalsContact C-N 3.35Å; I121-I123 PolarHBondContact O-N 2.91Å; I123-L125 PolarHBondContact O-N 3.44Å; I123-R126 WeakPolarHBondContact O-CB 2.94Å; I123-R126 PolarHBondContact O-N 3.19Å; I123-V127 WeakPolarHBondContact O-CG2 3.22Å; I123-V127 PolarHBondContact O-N 3.06Å; I123-V144 HydrophobicContact CB-CG1 3.94Å; I123-V144 HydrophobicContact CD1-CG1 4.38Å; I123-V144 HydrophobicContact CG2-CG1 3.44Å; I123-V144 VanDerWaalsContact CG2-CG1 3.44Å; I123-L148 HydrophobicContact CD1-CB 4.25Å; I123-L148 HydrophobicContact CD1-CD1 3.98Å; I123-L148 HydrophobicContact CD1-CD2 4.45Å; I123-L148 HydrophobicContact CD1-CG 4.45Å; I123-E153 HydrophobicContact CD1-CB 4.46Å; I123-E153 HydrophobicContact CD1-CG 4.01Å; I123-E153 HydrophobicContact CG1-CG 3.9Å; I123-A156 HydrophobicContact CD1-CB 4.06Å |
| 124 | I | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.7 | -49.3 | -177.5 | -69.1 | 166.3 | 0 | 0 | 0 | 110.1 | V93 V97 L120 I121 D122 R126 V127 L128 Y136 Y140 H141 V144 | V93-I124 HydrophobicContact CG1-CB 4.12Å; V93-I124 HydrophobicContact CG1-CD1 3.83Å; V93-I124 HydrophobicContact CG1-CG2 3.98Å; V93-I124 HydrophobicContact CG2-CG2 3.64Å; V97-I124 HydrophobicContact CG2-CD1 4.48Å; L120-I124 HydrophobicContact CD1-CD1 3.97Å; L120-I124 HydrophobicContact CD1-CG1 4.42Å; L120-I124 HydrophobicContact CG-CD1 4.2Å; L120-I124 WeakPolarHBondContact O-CG1 3.24Å; L120-I124 PolarHBondContact O-N 3.35Å; I121-I124 PolarHBondContact O-N 3.39Å; D122-I124 PolarHBondContact O-N 3.24Å; I124-R126 PolarHBondContact O-N 3.49Å; I124-V127 PolarHBondContact O-N 3.33Å; I124-L128 HydrophobicContact CG2-CD1 3.88Å; I124-L128 WeakPolarHBondContact O-CG 3.26Å; I124-L128 PolarHBondContact O-N 3.01Å; I124-L128 VanDerWaalsContact O-N 3.1Å; I124-Y136 HydrophobicContact CG2-CD2 3.85Å; I124-Y136 HydrophobicContact CG2-CE2 3.94Å; I124-Y140 HydrophobicContact CB-CE1 4.38Å; I124-Y140 HydrophobicContact CG1-CD1 4.14Å; I124-Y140 HydrophobicContact CG1-CE1 4.03Å; I124-Y140 HydrophobicContact CG2-CD1 4.03Å; I124-Y140 HydrophobicContact CG2-CE1 4.01Å; I124-H141 HydrophobicContact CD1-CB 3.77Å; I124-V144 HydrophobicContact CD1-CB 4.46Å; I124-V144 HydrophobicContact CD1-CG2 4.48Å; I124-V144 HydrophobicContact CG1-CB 4.08Å; I124-V144 HydrophobicContact CG1-CG1 4.06Å; I124-V144 HydrophobicContact CG1-CG2 3.85Å |
| 125 | L | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.2 | -38.3 | -178.4 | -60.9 | 178.7 | 0 | 0 | 0 | 112.2 | V82 R84 N87 Y90 V93 I121 D122 I123 V127 L128 Q129 | V82-L125 HydrophobicContact CG1-CB 3.58Å; V82-L125 HydrophobicContact CG1-CD1 3.87Å; V82-L125 HydrophobicContact CG1-CG 4.42Å; R84-L125 HydrophobicContact CB-CD1 4.27Å; R84-L125 HydrophobicContact CG-CD1 3.89Å; N87-L125 HydrophobicContact CB-CD2 4.13Å; Y90-L125 HydrophobicContact CD2-CD1 3.79Å; V93-L125 HydrophobicContact CB-CD2 4.44Å; V93-L125 HydrophobicContact CG2-CD2 4.14Å; I121-L125 HydrophobicContact CG2-CD1 3.72Å; I121-L125 HydrophobicContact CG2-CG 4.24Å; I121-L125 VanDerWaalsContact O-CG 3.29Å; I121-L125 WeakPolarHBondContact O-CG 3.38Å; I121-L125 PolarHBondContact O-N 3.22Å; D122-L125 PolarHBondContact O-N 3.47Å; I123-L125 PolarHBondContact O-N 3.44Å; L125-V127 PolarHBondContact O-N 3.12Å; L125-L128 PolarHBondContact O-N 2.69Å; L125-Q129 VanDerWaalsContact O-CB 3.23Å; L125-Q129 WeakPolarHBondContact O-CB 3.43Å; L125-Q129 PolarHBondContact O-N 3.19Å |
| 126 | R | 95.3 | Very high | 95.8 | Very high | 17 Ų | 17 | 34.3 Ų | 34.3 | 6% | 0.064 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.2 | -50.2 | 172.9 | -113.8 | 165 | -111.5 | 141.6 | -11.1 | 111.1 | E80 V82 D122 I123 I124 Q129 R130 E153 T157 | E80-R126 WeakPolarHBondContact O-CD 3.02Å; E80-R126 PolarHBondContact O-NE 3.18Å; V82-R126 HydrophobicContact CG2-CB 4.02Å; V82-R126 HydrophobicContact CG2-CG 3.47Å; V82-R126 VanDerWaalsContact CG2-CG 3.47Å; D122-R126 VanDerWaalsContact O-CB 3.27Å; D122-R126 WeakPolarHBondContact O-CB 3.31Å; D122-R126 PolarHBondContact O-N 3.46Å; I123-R126 WeakPolarHBondContact O-CB 2.94Å; I123-R126 PolarHBondContact O-N 3.19Å; I124-R126 PolarHBondContact O-N 3.49Å; R126-Q129 PolarHBondContact O-N 2.96Å; R126-R130 WeakPolarHBondContact O-CG 3.32Å; R126-R130 PolarHBondContact O-N 2.95Å; R126-E153 IonicContact CZ-OE1 3.89Å; R126-E153 IonicContact NH1-OE1 3.98Å; R126-E153 PolarHBondContact NH1-OE1 2.83Å; R126-E153 IonicContact NH2-OE1 2.98Å; R126-E153 PolarHBondContact NH2-OE1 3.37Å; R126-T157 HydrophobicContact CB-CG2 4.4Å |
| 127 | V | 95.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.1 | -46.7 | -178.3 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | I123 I124 L125 R130 N131 L134 V160 E161 | I123-V127 WeakPolarHBondContact O-CG2 3.22Å; I123-V127 PolarHBondContact O-N 3.06Å; I124-V127 PolarHBondContact O-N 3.33Å; L125-V127 PolarHBondContact O-N 3.12Å; V127-R130 PolarHBondContact O-N 3.37Å; V127-N131 VanDerWaalsContact O-CB 3.31Å; V127-N131 WeakPolarHBondContact O-CB 3.06Å; V127-N131 PolarHBondContact O-N 3.13Å; V127-N131 VanDerWaalsContact O-N 3.08Å; V127-N131 PolarHBondContact O-ND2 3Å; V127-L134 HydrophobicContact CG1-CD1 4.24Å; V127-V160 HydrophobicContact CG2-CG1 4.25Å; V127-E161 HydrophobicContact CG2-CB 4.06Å |
| 128 | L | 95.3 | Very high | 95.7 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 5% | 0.047 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.6 | -40.1 | 179.4 | -65.4 | 170.8 | 0 | 0 | 0 | 112.3 | D89 I124 L125 N131 L134 Y136 M172 | D89-L128 HydrophobicContact CB-CD1 4.03Å; I124-L128 HydrophobicContact CG2-CD1 3.88Å; I124-L128 WeakPolarHBondContact O-CG 3.26Å; I124-L128 PolarHBondContact O-N 3.01Å; I124-L128 VanDerWaalsContact O-N 3.1Å; L125-L128 PolarHBondContact O-N 2.69Å; L128-N131 CarbonylContact O-C 3.21Å; L128-N131 PolarHBondContact O-N 3.28Å; L128-L134 HydrophobicContact CD2-CB 4.16Å; L128-Y136 HydrophobicContact CD1-CD2 4.25Å; L128-Y136 HydrophobicContact CD1-CG 4.47Å; L128-M172 HydrophobicContact CD2-CE 3.65Å |
| 129 | Q | 93.5 | Very high | 95.7 | Very high | 107 Ų | 107 | 35 Ų | 35 | 50% | 0.5 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.9 | -40.9 | 178.5 | -177.6 | 178 | -15.9 | 0 | 0 | 112 | L125 R126 N131 | L125-Q129 VanDerWaalsContact O-CB 3.23Å; L125-Q129 WeakPolarHBondContact O-CB 3.43Å; L125-Q129 PolarHBondContact O-N 3.19Å; R126-Q129 PolarHBondContact O-N 2.96Å; Q129-N131 VanDerWaalsContact C-N 3.29Å |
| 130 | R | 92.8 | Very high | 95.8 | Very high | 78 Ų | 78 | 32 Ų | 32 | 29% | 0.294 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -73 | -23.5 | 177.2 | -72.4 | 178.7 | 174.8 | 178.6 | -0.6 | 113.4 | E80 R126 V127 P132 E161 | E80-R130 IonicContact OE1-NH2 3.23Å; E80-R130 IonicContact OE2-CZ 2.72Å; E80-R130 IonicContact OE2-NE 3.74Å; E80-R130 PolarHBondContact OE2-NE 3.16Å; E80-R130 IonicContact OE2-NH2 2.99Å; E80-R130 PolarHBondContact OE2-NH2 3.48Å; R126-R130 WeakPolarHBondContact O-CG 3.32Å; R126-R130 PolarHBondContact O-N 2.95Å; V127-R130 PolarHBondContact O-N 3.37Å; R130-P132 WeakPolarHBondContact O-CD 3.31Å; R130-E161 WeakPolarHBondContact CB-OE1 3.41Å; R130-E161 WeakPolarHBondContact CD-OE1 3.35Å; R130-E161 IonicContact NH1-OE2 2.78Å; R130-E161 PolarHBondContact NH1-OE2 3.12Å |
| 131 | N | 95.3 | Very high | 95.7 | Very high | 18 Ų | 18 | 32.6 Ų | 32.6 | 10% | 0.096 | 16% | 0.159 | C | C | . | . | trans | -127 | 71.9 | -173.6 | -62.2 | -86 | 0 | 0 | 0 | 109.8 | V127 L128 Q129 Q133 L134 E161 T165 | V127-N131 VanDerWaalsContact O-CB 3.31Å; V127-N131 WeakPolarHBondContact O-CB 3.06Å; V127-N131 PolarHBondContact O-N 3.13Å; V127-N131 VanDerWaalsContact O-N 3.08Å; V127-N131 PolarHBondContact O-ND2 3Å; L128-N131 CarbonylContact O-C 3.21Å; L128-N131 PolarHBondContact O-N 3.28Å; Q129-N131 VanDerWaalsContact C-N 3.29Å; N131-Q133 VanDerWaalsContact CA-OE1 3.31Å; N131-Q133 PolarHBondContact O-N 2.82Å; N131-Q133 PolarHBondContact OD1-NE2 3.28Å; N131-L134 HydrophobicContact CB-CB 4.38Å; N131-L134 HydrophobicContact CB-CD1 3.48Å; N131-L134 VanDerWaalsContact CB-CD1 3.48Å; N131-L134 HydrophobicContact CB-CG 3.72Å; N131-L134 WeakPolarHBondContact O-CB 3.44Å; N131-L134 PolarHBondContact O-N 3.39Å; N131-E161 PolarHBondContact ND2-OE1 3.29Å; N131-T165 WeakPolarHBondContact OD1-CG2 3.29Å | ||
| 132 | P | 93.8 | Very high | 95.7 | Very high | 103 Ų | 103 | 32.7 Ų | 32.7 | 67% | 0.669 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -13.6 | -173.8 | 26.4 | -36.1 | 0 | 0 | 0 | 114.2 | R130 L134 | R130-P132 WeakPolarHBondContact O-CD 3.31Å; P132-L134 VanDerWaalsContact C-N 3.31Å |
| 133 | Q | 94.7 | Very high | 95.7 | Very high | 84 Ų | 84 | 31.3 Ų | 31.3 | 39% | 0.393 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -19.5 | 171.4 | 73.8 | -77.1 | 3.4 | 0 | 0 | 113.7 | N131 H135 | N131-Q133 VanDerWaalsContact CA-OE1 3.31Å; N131-Q133 PolarHBondContact O-N 2.82Å; N131-Q133 PolarHBondContact OD1-NE2 3.28Å; Q133-H135 PolarHBondContact O-CE1 3.43Å; Q133-H135 PolarHBondContact O-ND1 2.73Å |
| 134 | L | 96.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | trans | -86.3 | 140.4 | -179.6 | -58.3 | -179.3 | 0 | 0 | 0 | 110.5 | V127 L128 N131 P132 T165 M172 | V127-L134 HydrophobicContact CG1-CD1 4.24Å; L128-L134 HydrophobicContact CD2-CB 4.16Å; N131-L134 HydrophobicContact CB-CB 4.38Å; N131-L134 HydrophobicContact CB-CD1 3.48Å; N131-L134 VanDerWaalsContact CB-CD1 3.48Å; N131-L134 HydrophobicContact CB-CG 3.72Å; N131-L134 WeakPolarHBondContact O-CB 3.44Å; N131-L134 PolarHBondContact O-N 3.39Å; P132-L134 VanDerWaalsContact C-N 3.31Å; L134-T165 HydrophobicContact CD1-CG2 4.27Å; L134-M172 HydrophobicContact CB-CB 4.21Å; L134-M172 HydrophobicContact CB-CE 3.94Å; L134-M172 HydrophobicContact CB-SD 4.27Å; L134-M172 HydrophobicContact CD1-CE 4.32Å; L134-M172 HydrophobicContact CD1-SD 4Å; L134-M172 HydrophobicContact CD2-CB 3.92Å; L134-M172 HydrophobicContact CD2-SD 4.3Å; L134-M172 HydrophobicContact CG-SD 4.43Å | ||
| 135 | H | 96.3 | Very high | 95.7 | Very high | 55 Ų | 55 | 31.3 Ų | 31.3 | 26% | 0.255 | 15% | 0.152 | S | C | . | . | trans | -115.7 | 131.2 | 180 | -63.3 | 63.2 | 0 | 0 | 0 | 108.4 | Q133 M172 | Q133-H135 PolarHBondContact O-CE1 3.43Å; Q133-H135 PolarHBondContact O-ND1 2.73Å; H135-M172 WeakPolarHBondContact CB-O 3.37Å; H135-M172 PolarHBondContact N-O 3.2Å; H135-M172 WeakPolarHBondContact O-CA 3.31Å | ||
| 136 | Y | 96.9 | Very high | 95.7 | Very high | 29 Ų | 29 | 31.3 Ų | 31.3 | 11% | 0.114 | 15% | 0.152 | C | C | . | . | trans | -64.9 | 136.3 | 176.5 | -179.2 | -97.9 | 0 | 0 | 0 | 110.4 | Q92 V93 D96 I124 L128 Y140 H141 | Q92-Y136 HydrophobicContact CG-CD1 3.95Å; Q92-Y136 HydrophobicContact CG-CE1 3.76Å; V93-Y136 HydrophobicContact CG2-CD1 4.4Å; V93-Y136 HydrophobicContact CG2-CD2 3.8Å; V93-Y136 HydrophobicContact CG2-CE1 4.36Å; V93-Y136 HydrophobicContact CG2-CE2 3.74Å; V93-Y136 HydrophobicContact CG2-CG 4.14Å; D96-Y136 WeakPolarHBondContact CB-OH 3.44Å; D96-Y136 WeakPolarHBondContact OD2-CE1 3.32Å; D96-Y136 VanDerWaalsContact OD2-CZ 3.29Å; D96-Y136 PolarHBondContact OD2-OH 3.37Å; I124-Y136 HydrophobicContact CG2-CD2 3.85Å; I124-Y136 HydrophobicContact CG2-CE2 3.94Å; L128-Y136 HydrophobicContact CD1-CD2 4.25Å; L128-Y136 HydrophobicContact CD1-CG 4.47Å; Y136-Y140 AromaticContact CD2-CD1 3.93Å; Y136-Y140 HydrophobicContact CD2-CD1 3.93Å; Y136-Y140 AromaticContact CE2-CD1 3.92Å; Y136-Y140 HydrophobicContact CE2-CD1 3.92Å; Y136-Y140 HydrophobicContact CE2-CG 4.44Å; Y136-H141 PolarHBondContact OH-ND1 2.89Å; Y136-H141 VanDerWaalsContact OH-ND1 3.17Å | ||
| 137 | Y | 95.8 | Very high | 95.8 | Very high | 11 Ų | 11 | 30.5 Ų | 30.5 | 4% | 0.043 | 15% | 0.149 | C | C | . | . | trans | -123.5 | 147.2 | 171.4 | 69.3 | -95.6 | 0 | 0 | 0 | 110.3 | G139 Y140 F171 M172 I216 | Y137-G139 PolarHBondContact O-N 3.27Å; Y137-Y140 AromaticContact CE1-CD2 3.9Å; Y137-Y140 HydrophobicContact CE1-CD2 3.9Å; Y137-Y140 HydrophobicContact CE1-CG 4.22Å; Y137-Y140 AromaticContact CZ-CD2 3.96Å; Y137-Y140 WeakPolarHBondContact O-CB 3.23Å; Y137-Y140 PolarHBondContact O-N 2.85Å; Y137-Y140 VanDerWaalsContact O-N 3.11Å; Y137-F171 HydrophobicContact CD1-CB 4.07Å; Y137-F171 WeakPolarHBondContact CD1-O 3.48Å; Y137-F171 HydrophobicContact CE1-CB 3.67Å; Y137-M172 HydrophobicContact CD1-CG 3.8Å; Y137-M172 HydrophobicContact CE1-CG 3.65Å; Y137-I216 HydrophobicContact CD2-CB 4.13Å; Y137-I216 HydrophobicContact CD2-CD1 4.29Å; Y137-I216 HydrophobicContact CD2-CG1 4.49Å; Y137-I216 HydrophobicContact CE2-CB 3.6Å; Y137-I216 HydrophobicContact CE2-CD1 4.46Å; Y137-I216 HydrophobicContact CE2-CG1 4.17Å; Y137-I216 VanDerWaalsContact CE2-O 3.24Å; Y137-I216 WeakPolarHBondContact CE2-O 3.46Å; Y137-I216 PolarHBondContact OH-O 3.48Å | ||
| 138 | Q | 94.5 | Very high | 95.9 | Very high | 123 Ų | 123 | 30.6 Ų | 30.6 | 58% | 0.575 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 118.6 | 178.3 | -174.1 | 178.4 | -30.6 | 0 | 0 | 110 | ||
| 139 | G | 94.4 | Very high | 96 | Very high | 5 Ų | 5 | 32 Ų | 32 | 5% | 0.052 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 116.1 | -16.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y137 H141 D142 | Y137-G139 PolarHBondContact O-N 3.27Å; G139-H141 PolarHBondContact O-N 3.39Å; G139-D142 WeakPolarHBondContact O-CB 3.28Å; G139-D142 PolarHBondContact O-N 2.74Å |
| 140 | Y | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.6 | -38.2 | 175.9 | 179.1 | -119.5 | 0 | 0 | 0 | 112.2 | I124 Y136 Y137 D142 I143 V144 V160 S164 L168 M172 | I124-Y140 HydrophobicContact CB-CE1 4.38Å; I124-Y140 HydrophobicContact CG1-CD1 4.14Å; I124-Y140 HydrophobicContact CG1-CE1 4.03Å; I124-Y140 HydrophobicContact CG2-CD1 4.03Å; I124-Y140 HydrophobicContact CG2-CE1 4.01Å; Y136-Y140 AromaticContact CD2-CD1 3.93Å; Y136-Y140 HydrophobicContact CD2-CD1 3.93Å; Y136-Y140 AromaticContact CE2-CD1 3.92Å; Y136-Y140 HydrophobicContact CE2-CD1 3.92Å; Y136-Y140 HydrophobicContact CE2-CG 4.44Å; Y137-Y140 AromaticContact CE1-CD2 3.9Å; Y137-Y140 HydrophobicContact CE1-CD2 3.9Å; Y137-Y140 HydrophobicContact CE1-CG 4.22Å; Y137-Y140 AromaticContact CZ-CD2 3.96Å; Y137-Y140 WeakPolarHBondContact O-CB 3.23Å; Y137-Y140 PolarHBondContact O-N 2.85Å; Y137-Y140 VanDerWaalsContact O-N 3.11Å; Y140-D142 PolarHBondContact O-N 3.05Å; Y140-I143 WeakPolarHBondContact O-CB 3.47Å; Y140-I143 PolarHBondContact O-N 3.35Å; Y140-V144 HydrophobicContact CD1-CG2 3.95Å; Y140-V144 HydrophobicContact CD2-CG2 4.35Å; Y140-V144 HydrophobicContact CE1-CG2 3.61Å; Y140-V144 HydrophobicContact CE2-CG2 4.03Å; Y140-V144 HydrophobicContact CG-CG2 4.32Å; Y140-V144 WeakPolarHBondContact O-CG2 3.23Å; Y140-V144 PolarHBondContact O-N 3.44Å; Y140-V144 VanDerWaalsContact O-N 3.13Å; Y140-V160 HydrophobicContact CE2-CG1 4.27Å; Y140-V160 WeakPolarHBondContact OH-CG1 3.42Å; Y140-S164 VanDerWaalsContact CE2-OG 3.25Å; Y140-S164 WeakPolarHBondContact CE2-OG 3.15Å; Y140-S164 PolarHBondContact OH-OG 3.06Å; Y140-L168 HydrophobicContact CD2-CD1 4.14Å; Y140-L168 HydrophobicContact CE2-CD1 3.84Å; Y140-M172 HydrophobicContact CD1-CE 4.38Å; Y140-M172 HydrophobicContact CD2-CE 4.36Å; Y140-M172 HydrophobicContact CD2-SD 4.38Å; Y140-M172 HydrophobicContact CE1-CE 4.12Å; Y140-M172 HydrophobicContact CE2-CE 4.12Å; Y140-M172 HydrophobicContact CE2-SD 3.98Å; Y140-M172 HydrophobicContact CG-CE 4.48Å |
| 141 | H | 96.7 | Very high | 96.3 | Very high | 13 Ų | 13 | 24.5 Ų | 24.5 | 6% | 0.06 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.7 | -30.1 | 176.2 | 64.8 | -90.1 | 0 | 0 | 0 | 113.7 | D96 V97 S100 I124 Y136 G139 I143 V144 V145 | D96-H141 IonicContact OD2-ND1 3.04Å; V97-H141 HydrophobicContact CG2-CB 4.33Å; S100-H141 PolarHBondContact OG-CD2 3.1Å; S100-H141 PolarHBondContact OG-NE2 3.42Å; I124-H141 HydrophobicContact CD1-CB 3.77Å; Y136-H141 PolarHBondContact OH-ND1 2.89Å; Y136-H141 VanDerWaalsContact OH-ND1 3.17Å; G139-H141 PolarHBondContact O-N 3.39Å; H141-I143 PolarHBondContact O-N 3Å; H141-V144 PolarHBondContact O-N 3.49Å; H141-V145 WeakPolarHBondContact O-CB 3.36Å; H141-V145 WeakPolarHBondContact O-CG1 3.42Å; H141-V145 PolarHBondContact O-N 2.94Å |
| 142 | D | 95.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.8 | -29.2 | 175.9 | -83.5 | -55.7 | 0 | 0 | 0 | 111.8 | R103 G139 Y140 V145 T146 T217 H221 | R103-D142 WeakPolarHBondContact CG-OD1 3.42Å; R103-D142 IonicContact CZ-OD1 3.98Å; R103-D142 IonicContact NH1-OD1 2.62Å; R103-D142 PolarHBondContact NH1-OD1 3.09Å; G139-D142 WeakPolarHBondContact O-CB 3.28Å; G139-D142 PolarHBondContact O-N 2.74Å; Y140-D142 PolarHBondContact O-N 3.05Å; D142-V145 WeakPolarHBondContact O-CG1 3.13Å; D142-T146 PolarHBondContact O-OG1 3.19Å; D142-T217 HydrophobicContact CB-CG2 4.1Å; D142-H221 IonicContact OD2-CG 2.74Å; D142-H221 IonicContact OD2-ND1 3.19Å; D142-H221 PolarHBondContact OD2-ND1 3.35Å; D142-H221 VanDerWaalsContact OD2-ND1 3.11Å |
| 143 | I | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -76.1 | -51.2 | 172.6 | -59 | -176.8 | 0 | 0 | 0 | 110 | Y140 H141 V145 T146 F147 L163 L168 I216 W218 Y233 | Y140-I143 WeakPolarHBondContact O-CB 3.47Å; Y140-I143 PolarHBondContact O-N 3.35Å; H141-I143 PolarHBondContact O-N 3Å; I143-V145 VanDerWaalsContact C-N 3.34Å; I143-V145 PolarHBondContact O-N 3.23Å; I143-T146 WeakPolarHBondContact O-CB 3.45Å; I143-T146 PolarHBondContact O-N 2.96Å; I143-T146 VanDerWaalsContact O-N 3.09Å; I143-F147 HydrophobicContact CG2-CD2 4.03Å; I143-F147 HydrophobicContact CG2-CE2 3.86Å; I143-F147 WeakPolarHBondContact O-CD2 3.43Å; I143-F147 PolarHBondContact O-N 2.72Å; I143-L163 HydrophobicContact CG2-CD2 3.95Å; I143-L168 HydrophobicContact CD1-CD1 3.72Å; I143-L168 HydrophobicContact CD1-CD2 3.62Å; I143-L168 HydrophobicContact CD1-CG 4.33Å; I143-L168 HydrophobicContact CG2-CD1 4.23Å; I143-I216 WeakPolarHBondContact CD1-O 3.5Å; I143-W218 HydrophobicContact CD1-CB 4.46Å; I143-W218 HydrophobicContact CD1-CD2 4.48Å; I143-W218 HydrophobicContact CD1-CG 4.14Å; I143-W218 HydrophobicContact CG1-CB 4.48Å; I143-Y233 VanDerWaalsContact CA-OH 3.31Å; I143-Y233 WeakPolarHBondContact CA-OH 3.41Å; I143-Y233 HydrophobicContact CG2-CE1 4.12Å |
| 144 | V | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.5 | -40.1 | -174.8 | -173.7 | 0 | 0 | 0 | 0 | 112 | L120 I123 I124 Y140 H141 T146 F147 L148 V160 | L120-V144 HydrophobicContact CD1-CB 3.58Å; L120-V144 HydrophobicContact CD1-CG1 3.48Å; L120-V144 VanDerWaalsContact CD1-CG1 3.48Å; I123-V144 HydrophobicContact CB-CG1 3.94Å; I123-V144 HydrophobicContact CD1-CG1 4.38Å; I123-V144 HydrophobicContact CG2-CG1 3.44Å; I123-V144 VanDerWaalsContact CG2-CG1 3.44Å; I124-V144 HydrophobicContact CD1-CB 4.46Å; I124-V144 HydrophobicContact CD1-CG2 4.48Å; I124-V144 HydrophobicContact CG1-CB 4.08Å; I124-V144 HydrophobicContact CG1-CG1 4.06Å; I124-V144 HydrophobicContact CG1-CG2 3.85Å; Y140-V144 HydrophobicContact CD1-CG2 3.95Å; Y140-V144 HydrophobicContact CD2-CG2 4.35Å; Y140-V144 HydrophobicContact CE1-CG2 3.61Å; Y140-V144 HydrophobicContact CE2-CG2 4.03Å; Y140-V144 HydrophobicContact CG-CG2 4.32Å; Y140-V144 WeakPolarHBondContact O-CG2 3.23Å; Y140-V144 PolarHBondContact O-N 3.44Å; Y140-V144 VanDerWaalsContact O-N 3.13Å; H141-V144 PolarHBondContact O-N 3.49Å; V144-T146 VanDerWaalsContact C-N 3.26Å; V144-T146 PolarHBondContact O-N 3.43Å; V144-F147 PolarHBondContact O-N 2.7Å; V144-L148 PolarHBondContact O-N 3Å; V144-V160 HydrophobicContact CG1-CG1 4.5Å; V144-V160 HydrophobicContact CG1-CG2 4.38Å; V144-V160 HydrophobicContact CG2-CG1 3.73Å; V144-V160 HydrophobicContact CG2-CG2 4.49Å |
| 145 | V | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63 | -34.3 | 177.4 | 73.2 | 0 | 0 | 0 | 0 | 112 | R103 F104 L120 H141 D142 I143 L148 L149 | R103-V145 HydrophobicContact CB-CG1 4.14Å; R103-V145 HydrophobicContact CG-CG1 4.43Å; F104-V145 HydrophobicContact CE1-CG2 4.09Å; F104-V145 HydrophobicContact CE2-CG2 4.41Å; F104-V145 HydrophobicContact CZ-CG2 3.85Å; L120-V145 HydrophobicContact CD1-CB 4.08Å; L120-V145 HydrophobicContact CD2-CB 3.78Å; L120-V145 HydrophobicContact CD2-CG2 3.97Å; H141-V145 WeakPolarHBondContact O-CB 3.36Å; H141-V145 WeakPolarHBondContact O-CG1 3.42Å; H141-V145 PolarHBondContact O-N 2.94Å; D142-V145 WeakPolarHBondContact O-CG1 3.13Å; I143-V145 VanDerWaalsContact C-N 3.34Å; I143-V145 PolarHBondContact O-N 3.23Å; V145-L148 PolarHBondContact O-N 3.26Å; V145-L149 HydrophobicContact CG2-CD1 4.13Å; V145-L149 HydrophobicContact CG2-CG 4.27Å; V145-L149 WeakPolarHBondContact O-CB 3.32Å; V145-L149 VanDerWaalsContact O-CG 3.27Å; V145-L149 WeakPolarHBondContact O-CG 3.14Å; V145-L149 PolarHBondContact O-N 2.95Å |
| 146 | T | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.5 | -42.7 | 177 | -55.6 | 0 | 0 | 0 | 0 | 110.4 | D142 I143 V144 V150 F226 V229 V230 Y233 | D142-T146 PolarHBondContact O-OG1 3.19Å; I143-T146 WeakPolarHBondContact O-CB 3.45Å; I143-T146 PolarHBondContact O-N 2.96Å; I143-T146 VanDerWaalsContact O-N 3.09Å; V144-T146 VanDerWaalsContact C-N 3.26Å; V144-T146 PolarHBondContact O-N 3.43Å; T146-V150 VanDerWaalsContact O-CG2 3.27Å; T146-V150 WeakPolarHBondContact O-CG2 3.29Å; T146-V150 PolarHBondContact O-N 2.86Å; T146-F226 HydrophobicContact CG2-CE2 4.03Å; T146-F226 HydrophobicContact CG2-CZ 4.31Å; T146-V229 HydrophobicContact CG2-CG1 4.13Å; T146-V230 HydrophobicContact CG2-CG2 4.09Å; T146-Y233 HydrophobicContact CG2-CD1 3.84Å; T146-Y233 HydrophobicContact CG2-CD2 4.34Å; T146-Y233 HydrophobicContact CG2-CE1 3.57Å; T146-Y233 HydrophobicContact CG2-CE2 4.11Å; T146-Y233 HydrophobicContact CG2-CG 4.22Å |
| 147 | F | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.3 | -45.2 | 172.9 | -80.8 | -89.1 | 0 | 0 | 0 | 112 | W64 L68 I143 V144 L149 V150 V151 A156 L159 V160 L163 Y233 L237 | W64-F147 HydrophobicContact CD2-CE1 4.42Å; W64-F147 AromaticContact CE3-CD1 3.7Å; W64-F147 HydrophobicContact CE3-CD1 3.7Å; W64-F147 AromaticContact CE3-CE1 3.56Å; W64-F147 HydrophobicContact CE3-CE1 3.56Å; W64-F147 AromaticContact CZ3-CD1 3.54Å; W64-F147 HydrophobicContact CZ3-CD1 3.54Å; W64-F147 AromaticContact CZ3-CE1 3.68Å; W64-F147 HydrophobicContact CZ3-CE1 3.68Å; W64-F147 HydrophobicContact CZ3-CG 4.21Å; W64-F147 HydrophobicContact CZ3-CZ 4.43Å; L68-F147 HydrophobicContact CD1-CE1 4.46Å; I143-F147 HydrophobicContact CG2-CD2 4.03Å; I143-F147 HydrophobicContact CG2-CE2 3.86Å; I143-F147 WeakPolarHBondContact O-CD2 3.43Å; I143-F147 PolarHBondContact O-N 2.72Å; V144-F147 PolarHBondContact O-N 2.7Å; F147-L149 VanDerWaalsContact C-N 3.34Å; F147-L149 PolarHBondContact O-N 3.05Å; F147-V150 PolarHBondContact O-N 2.97Å; F147-V151 WeakPolarHBondContact O-CG2 3.12Å; F147-V151 PolarHBondContact O-N 2.96Å; F147-A156 HydrophobicContact CB-CB 3.9Å; F147-L159 HydrophobicContact CD1-CB 3.94Å; F147-L159 HydrophobicContact CD1-CD1 3.97Å; F147-L159 HydrophobicContact CE1-CB 3.95Å; F147-L159 HydrophobicContact CE1-CD1 4Å; F147-V160 HydrophobicContact CB-CG2 3.73Å; F147-V160 HydrophobicContact CD1-CG2 4.29Å; F147-V160 HydrophobicContact CD2-CG2 3.7Å; F147-V160 HydrophobicContact CE2-CG2 4.41Å; F147-V160 HydrophobicContact CG-CG2 3.63Å; F147-L163 HydrophobicContact CE2-CD2 3.6Å; F147-L163 HydrophobicContact CZ-CD2 3.84Å; F147-Y233 HydrophobicContact CD2-CD1 4.31Å; F147-Y233 AromaticContact CD2-CE1 3.96Å; F147-Y233 HydrophobicContact CD2-CE1 3.96Å; F147-Y233 AromaticContact CE2-CD1 3.74Å; F147-Y233 HydrophobicContact CE2-CD1 3.74Å; F147-Y233 AromaticContact CE2-CE1 3.6Å; F147-Y233 HydrophobicContact CE2-CE1 3.6Å; F147-Y233 HydrophobicContact CZ-CD1 4.13Å; F147-Y233 HydrophobicContact CZ-CE1 4.43Å; F147-L237 HydrophobicContact CE1-CD1 4.31Å; F147-L237 HydrophobicContact CZ-CD1 4.16Å; F147-L237 HydrophobicContact CZ-CD2 4.14Å |
| 148 | L | 97.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.7 | -48 | 178.8 | 173.6 | 58.9 | 0 | 0 | 0 | 111.7 | L116 E119 L120 I123 V144 V145 V150 G152 E153 | L116-L148 HydrophobicContact CB-CD2 4.25Å; L116-L148 HydrophobicContact CD2-CD1 4.22Å; L116-L148 HydrophobicContact CD2-CD2 4.1Å; L116-L148 HydrophobicContact CD2-CG 4.07Å; L116-L148 WeakPolarHBondContact O-CD2 3.28Å; E119-L148 HydrophobicContact CB-CD1 4.26Å; E119-L148 HydrophobicContact CB-CD2 4.15Å; E119-L148 WeakPolarHBondContact OE2-CD1 3.37Å; L120-L148 HydrophobicContact CB-CD2 3.86Å; I123-L148 HydrophobicContact CD1-CB 4.25Å; I123-L148 HydrophobicContact CD1-CD1 3.98Å; I123-L148 HydrophobicContact CD1-CD2 4.45Å; I123-L148 HydrophobicContact CD1-CG 4.45Å; V144-L148 PolarHBondContact O-N 3Å; V145-L148 PolarHBondContact O-N 3.26Å; L148-V150 VanDerWaalsContact C-N 3.29Å; L148-V150 PolarHBondContact O-N 2.98Å; L148-G152 VanDerWaalsContact O-CA 3.24Å; L148-G152 WeakPolarHBondContact O-CA 3.14Å; L148-G152 PolarHBondContact O-N 3.22Å; L148-E153 HydrophobicContact CD1-CB 4.16Å |
| 149 | L | 96.3 | Very high | 96.5 | Very high | 37 Ų | 37 | 15 Ų | 15 | 19% | 0.194 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.7 | -28.6 | -179 | -70.4 | 174.9 | 0 | 0 | 0 | 113.4 | F104 L116 V145 F147 F226 | F104-L149 HydrophobicContact CD1-CD2 4.19Å; F104-L149 HydrophobicContact CE1-CD2 4.36Å; L116-L149 HydrophobicContact CD1-CD2 3.93Å; V145-L149 HydrophobicContact CG2-CD1 4.13Å; V145-L149 HydrophobicContact CG2-CG 4.27Å; V145-L149 WeakPolarHBondContact O-CB 3.32Å; V145-L149 VanDerWaalsContact O-CG 3.27Å; V145-L149 WeakPolarHBondContact O-CG 3.14Å; V145-L149 PolarHBondContact O-N 2.95Å; F147-L149 VanDerWaalsContact C-N 3.34Å; F147-L149 PolarHBondContact O-N 3.05Å; L149-F226 HydrophobicContact CB-CE1 4.46Å; L149-F226 HydrophobicContact CB-CE2 4.42Å; L149-F226 HydrophobicContact CB-CZ 3.75Å; L149-F226 HydrophobicContact CD1-CE2 3.89Å; L149-F226 HydrophobicContact CD1-CZ 3.98Å |
| 150 | V | 97.1 | Very high | 96.6 | Very high | 10 Ų | 10 | 14.8 Ų | 14.8 | 6% | 0.061 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -89.6 | -44.9 | -178 | 176 | 0 | 0 | 0 | 0 | 112.2 | D57 R60 W64 T146 F147 L148 F226 V230 | D57-V150 HydrophobicContact CB-CG1 4.05Å; R60-V150 HydrophobicContact CB-CG1 3.75Å; R60-V150 HydrophobicContact CG-CG1 4.37Å; W64-V150 HydrophobicContact CE3-CG1 4.31Å; W64-V150 HydrophobicContact CH2-CB 3.84Å; W64-V150 HydrophobicContact CH2-CG1 3.63Å; W64-V150 HydrophobicContact CH2-CG2 3.9Å; W64-V150 HydrophobicContact CZ2-CG1 4.19Å; W64-V150 HydrophobicContact CZ3-CB 3.83Å; W64-V150 HydrophobicContact CZ3-CG1 3.69Å; W64-V150 HydrophobicContact CZ3-CG2 4.37Å; T146-V150 VanDerWaalsContact O-CG2 3.27Å; T146-V150 WeakPolarHBondContact O-CG2 3.29Å; T146-V150 PolarHBondContact O-N 2.86Å; F147-V150 PolarHBondContact O-N 2.97Å; L148-V150 VanDerWaalsContact C-N 3.29Å; L148-V150 PolarHBondContact O-N 2.98Å; V150-F226 HydrophobicContact CG2-CE1 4.28Å; V150-F226 HydrophobicContact CG2-CZ 4.01Å; V150-V230 HydrophobicContact CG2-CG1 3.93Å; V150-V230 HydrophobicContact CG2-CG2 3.74Å |
| 151 | V | 96.8 | Very high | 96.6 | Very high | 18 Ų | 18 | 16.8 Ų | 16.8 | 11% | 0.109 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -117.8 | -3.1 | -169.4 | -56.1 | 0 | 0 | 0 | 0 | 114.8 | W64 F147 L155 A156 L159 | W64-V151 HydrophobicContact CE3-CG1 3.68Å; W64-V151 HydrophobicContact CZ3-CG1 4Å; F147-V151 WeakPolarHBondContact O-CG2 3.12Å; F147-V151 PolarHBondContact O-N 2.96Å; V151-L155 HydrophobicContact CB-CB 3.98Å; V151-L155 HydrophobicContact CB-CD2 3.7Å; V151-L155 HydrophobicContact CB-CG 4.01Å; V151-L155 HydrophobicContact CG1-CD2 4.02Å; V151-L155 HydrophobicContact CG2-CB 3.87Å; V151-L155 HydrophobicContact CG2-CD2 4.23Å; V151-L155 HydrophobicContact CG2-CG 3.99Å; V151-A156 HydrophobicContact CG2-CB 3.96Å; V151-L159 HydrophobicContact CG1-CD1 4.42Å; V151-L159 HydrophobicContact CG2-CD1 4.15Å |
| 152 | G | 96 | Very high | 96.5 | Very high | 31 Ų | 31 | 18.5 Ų | 18.5 | 32% | 0.32 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | 73.8 | 167.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L148 R154 L155 A156 | L148-G152 VanDerWaalsContact O-CA 3.24Å; L148-G152 WeakPolarHBondContact O-CA 3.14Å; L148-G152 PolarHBondContact O-N 3.22Å; G152-R154 PolarHBondContact O-N 3.2Å; G152-L155 PolarHBondContact O-N 3.43Å; G152-A156 WeakPolarHBondContact O-CB 3.47Å; G152-A156 PolarHBondContact O-N 2.81Å |
| 153 | E | 95.2 | Very high | 96.6 | Very high | 48 Ų | 48 | 18.4 Ų | 18.4 | 22% | 0.224 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -55 | -49.3 | -169.6 | -172.3 | -161.5 | -177.9 | 0 | 0 | 113.9 | E119 I123 R126 L148 L155 A156 T157 | E119-E153 HydrophobicContact CB-CB 4.45Å; E119-E153 HydrophobicContact CB-CG 4.21Å; E119-E153 HydrophobicContact CG-CB 4.42Å; E119-E153 HydrophobicContact CG-CG 4.34Å; I123-E153 HydrophobicContact CD1-CB 4.46Å; I123-E153 HydrophobicContact CD1-CG 4.01Å; I123-E153 HydrophobicContact CG1-CG 3.9Å; R126-E153 IonicContact CZ-OE1 3.89Å; R126-E153 IonicContact NH1-OE1 3.98Å; R126-E153 PolarHBondContact NH1-OE1 2.83Å; R126-E153 IonicContact NH2-OE1 2.98Å; R126-E153 PolarHBondContact NH2-OE1 3.37Å; L148-E153 HydrophobicContact CD1-CB 4.16Å; E153-L155 PolarHBondContact O-N 2.95Å; E153-A156 PolarHBondContact O-N 3.14Å; E153-T157 PolarHBondContact O-N 3.41Å; E153-T157 PolarHBondContact O-OG1 2.91Å |
| 154 | R | 93.8 | Very high | 96.6 | Very high | 107 Ų | 107 | 18.4 Ų | 18.4 | 40% | 0.404 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -61.1 | -51 | -173.5 | -172.9 | 176.1 | 73 | -170.6 | 2.1 | 111.7 | Q77 E78 P79 G152 | Q77-R154 WeakPolarHBondContact O-CD 3.31Å; Q77-R154 VanDerWaalsContact O-CG 3.28Å; Q77-R154 WeakPolarHBondContact O-CG 3.44Å; E78-R154 WeakPolarHBondContact OE1-CD 3.41Å; E78-R154 IonicContact OE1-NH1 2.82Å; E78-R154 PolarHBondContact OE1-NH1 3.02Å; P79-R154 HydrophobicContact CG-CB 4.39Å; P79-R154 HydrophobicContact CG-CG 4.44Å; G152-R154 PolarHBondContact O-N 3.2Å |
| 155 | L | 95.3 | Very high | 96.4 | Very high | 24 Ų | 24 | 20.1 Ų | 20.1 | 13% | 0.126 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -73.1 | -40.6 | -179.2 | -170.7 | 56 | 0 | 0 | 0 | 110.8 | C61 P65 L75 V151 G152 E153 T157 V158 L159 | C61-L155 HydrophobicContact CB-CD2 4.41Å; C61-L155 WeakPolarHBondContact O-CD2 3.03Å; P65-L155 HydrophobicContact CG-CD1 4.06Å; P65-L155 HydrophobicContact CG-CD2 4.13Å; L75-L155 HydrophobicContact CD2-CD1 3.66Å; V151-L155 HydrophobicContact CB-CB 3.98Å; V151-L155 HydrophobicContact CB-CD2 3.7Å; V151-L155 HydrophobicContact CB-CG 4.01Å; V151-L155 HydrophobicContact CG1-CD2 4.02Å; V151-L155 HydrophobicContact CG2-CB 3.87Å; V151-L155 HydrophobicContact CG2-CD2 4.23Å; V151-L155 HydrophobicContact CG2-CG 3.99Å; G152-L155 PolarHBondContact O-N 3.43Å; E153-L155 PolarHBondContact O-N 2.95Å; L155-T157 VanDerWaalsContact C-N 3.27Å; L155-T157 PolarHBondContact O-N 3.33Å; L155-V158 PolarHBondContact O-N 2.95Å; L155-V158 VanDerWaalsContact O-N 3.17Å; L155-L159 HydrophobicContact CD1-CD1 4.49Å; L155-L159 HydrophobicContact CD1-CD2 4.16Å; L155-L159 HydrophobicContact CD1-CG 4.11Å; L155-L159 HydrophobicContact CD2-CD1 4.4Å; L155-L159 HydrophobicContact CG-CD1 3.98Å; L155-L159 HydrophobicContact CG-CG 4.01Å; L155-L159 WeakPolarHBondContact O-CG 3.43Å; L155-L159 PolarHBondContact O-N 3.32Å |
| 156 | A | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -55 | -43.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I123 F147 V151 G152 E153 V158 L159 V160 | I123-A156 HydrophobicContact CD1-CB 4.06Å; F147-A156 HydrophobicContact CB-CB 3.9Å; V151-A156 HydrophobicContact CG2-CB 3.96Å; G152-A156 WeakPolarHBondContact O-CB 3.47Å; G152-A156 PolarHBondContact O-N 2.81Å; E153-A156 PolarHBondContact O-N 3.14Å; A156-V158 VanDerWaalsContact C-N 3.35Å; A156-V158 PolarHBondContact O-N 3.08Å; A156-L159 PolarHBondContact O-N 3.18Å; A156-V160 WeakPolarHBondContact O-CB 3.42Å; A156-V160 WeakPolarHBondContact O-CG2 3.48Å; A156-V160 PolarHBondContact O-N 3.47Å |
| 157 | T | 96.1 | Very high | 95.9 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.018 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -53.6 | -50.6 | 177.7 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | R126 E153 L155 E161 | R126-T157 HydrophobicContact CB-CG2 4.4Å; E153-T157 PolarHBondContact O-N 3.41Å; E153-T157 PolarHBondContact O-OG1 2.91Å; L155-T157 VanDerWaalsContact C-N 3.27Å; L155-T157 PolarHBondContact O-N 3.33Å; T157-E161 VanDerWaalsContact O-CB 3.25Å; T157-E161 WeakPolarHBondContact O-CB 3.36Å; T157-E161 PolarHBondContact O-N 3.34Å |
| 158 | V | 96.1 | Very high | 95.8 | Very high | 14 Ų | 14 | 22.2 Ų | 22.2 | 9% | 0.085 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -72.2 | -40.7 | -176.3 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | I70 L74 L155 A156 K162 | I70-V158 HydrophobicContact CD1-CG1 4.35Å; I70-V158 HydrophobicContact CG2-CG1 3.67Å; L74-V158 HydrophobicContact CB-CG1 3.93Å; L155-V158 PolarHBondContact O-N 2.95Å; L155-V158 VanDerWaalsContact O-N 3.17Å; A156-V158 VanDerWaalsContact C-N 3.35Å; A156-V158 PolarHBondContact O-N 3.08Å; V158-K162 PolarHBondContact O-N 3.27Å |
| 159 | L | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.4 | -47.9 | 179.6 | -64 | -166.5 | 0 | 0 | 0 | 111.4 | W64 P65 L68 I70 F147 V151 L155 A156 K162 L163 | W64-L159 HydrophobicContact CB-CD1 3.86Å; W64-L159 HydrophobicContact CE3-CD1 4.11Å; P65-L159 HydrophobicContact CB-CD2 4.2Å; P65-L159 HydrophobicContact CG-CD2 4.11Å; L68-L159 HydrophobicContact CD1-CB 3.85Å; L68-L159 HydrophobicContact CD1-CD2 4.05Å; L68-L159 HydrophobicContact CD1-CG 4.35Å; I70-L159 HydrophobicContact CD1-CD2 4.33Å; I70-L159 HydrophobicContact CG1-CD2 3.67Å; F147-L159 HydrophobicContact CD1-CB 3.94Å; F147-L159 HydrophobicContact CD1-CD1 3.97Å; F147-L159 HydrophobicContact CE1-CB 3.95Å; F147-L159 HydrophobicContact CE1-CD1 4Å; V151-L159 HydrophobicContact CG1-CD1 4.42Å; V151-L159 HydrophobicContact CG2-CD1 4.15Å; L155-L159 HydrophobicContact CD1-CD1 4.49Å; L155-L159 HydrophobicContact CD1-CD2 4.16Å; L155-L159 HydrophobicContact CD1-CG 4.11Å; L155-L159 HydrophobicContact CD2-CD1 4.4Å; L155-L159 HydrophobicContact CG-CD1 3.98Å; L155-L159 HydrophobicContact CG-CG 4.01Å; L155-L159 WeakPolarHBondContact O-CG 3.43Å; L155-L159 PolarHBondContact O-N 3.32Å; A156-L159 PolarHBondContact O-N 3.18Å; L159-K162 PolarHBondContact O-N 3.42Å; L159-L163 WeakPolarHBondContact O-CB 3.22Å; L159-L163 PolarHBondContact O-N 2.86Å |
| 160 | V | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.1 | -40.5 | -179.7 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | V127 Y140 V144 F147 A156 K162 L163 S164 | V127-V160 HydrophobicContact CG2-CG1 4.25Å; Y140-V160 HydrophobicContact CE2-CG1 4.27Å; Y140-V160 WeakPolarHBondContact OH-CG1 3.42Å; V144-V160 HydrophobicContact CG1-CG1 4.5Å; V144-V160 HydrophobicContact CG1-CG2 4.38Å; V144-V160 HydrophobicContact CG2-CG1 3.73Å; V144-V160 HydrophobicContact CG2-CG2 4.49Å; F147-V160 HydrophobicContact CB-CG2 3.73Å; F147-V160 HydrophobicContact CD1-CG2 4.29Å; F147-V160 HydrophobicContact CD2-CG2 3.7Å; F147-V160 HydrophobicContact CE2-CG2 4.41Å; F147-V160 HydrophobicContact CG-CG2 3.63Å; A156-V160 WeakPolarHBondContact O-CB 3.42Å; A156-V160 WeakPolarHBondContact O-CG2 3.48Å; A156-V160 PolarHBondContact O-N 3.47Å; V160-K162 VanDerWaalsContact C-N 3.31Å; V160-K162 PolarHBondContact O-N 3.04Å; V160-L163 WeakPolarHBondContact O-CB 3.48Å; V160-L163 PolarHBondContact O-N 3.26Å; V160-L163 VanDerWaalsContact O-N 3.12Å; V160-S164 VanDerWaalsContact O-CB 3.27Å; V160-S164 WeakPolarHBondContact O-CB 3.48Å; V160-S164 PolarHBondContact O-N 3.42Å; V160-S164 PolarHBondContact O-OG 3.3Å |
| 161 | E | 96.5 | Very high | 95.3 | Very high | 41 Ų | 41 | 22.3 Ų | 22.3 | 19% | 0.192 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -55.7 | -46 | 174.4 | -179 | 164.2 | -156.8 | 0 | 0 | 112.3 | V127 R130 N131 T157 T165 | V127-E161 HydrophobicContact CG2-CB 4.06Å; R130-E161 WeakPolarHBondContact CB-OE1 3.41Å; R130-E161 WeakPolarHBondContact CD-OE1 3.35Å; R130-E161 IonicContact NH1-OE2 2.78Å; R130-E161 PolarHBondContact NH1-OE2 3.12Å; N131-E161 PolarHBondContact ND2-OE1 3.29Å; T157-E161 VanDerWaalsContact O-CB 3.25Å; T157-E161 WeakPolarHBondContact O-CB 3.36Å; T157-E161 PolarHBondContact O-N 3.34Å; E161-T165 WeakPolarHBondContact O-CG2 3.43Å; E161-T165 PolarHBondContact O-N 3.39Å; E161-T165 PolarHBondContact O-OG1 3.37Å |
| 162 | K | 95.8 | Very high | 95.2 | Very high | 50 Ų | 50 | 21.4 Ų | 21.4 | 22% | 0.217 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.7 | -42.7 | 175.7 | -175.8 | 68.9 | 173.5 | 172.9 | 0 | 111.7 | L68 I70 V158 L159 V160 S164 T165 H166 | L68-K162 HydrophobicContact CB-CG 4.42Å; L68-K162 WeakPolarHBondContact O-CE 3.21Å; L68-K162 WeakPolarHBondContact O-CG 3.42Å; I70-K162 HydrophobicContact CD1-CB 3.32Å; I70-K162 HydrophobicContact CD1-CD 4.18Å; I70-K162 HydrophobicContact CD1-CG 3.49Å; I70-K162 VanDerWaalsContact CD1-CG 3.49Å; V158-K162 PolarHBondContact O-N 3.27Å; L159-K162 PolarHBondContact O-N 3.42Å; V160-K162 VanDerWaalsContact C-N 3.31Å; V160-K162 PolarHBondContact O-N 3.04Å; K162-S164 VanDerWaalsContact C-N 3.32Å; K162-S164 PolarHBondContact O-N 3.32Å; K162-T165 PolarHBondContact O-N 2.97Å; K162-T165 PolarHBondContact O-OG1 2.81Å; K162-H166 VanDerWaalsContact CE-CE1 3.47Å; K162-H166 WeakPolarHBondContact CE-CE1 3.5Å; K162-H166 PolarHBondContact NZ-CE1 3.05Å; K162-H166 PolarHBondContact NZ-NE2 2.96Å; K162-H166 PolarHBondContact O-N 3.3Å; K162-H166 PolarHBondContact O-ND1 3.09Å |
| 163 | L | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.5 | -43.2 | 179.8 | -168.3 | 72.8 | 0 | 0 | 0 | 111.2 | L68 I143 F147 L159 V160 T165 H166 H167 L168 W218 L237 | L68-L163 HydrophobicContact CD2-CD1 3.84Å; I143-L163 HydrophobicContact CG2-CD2 3.95Å; F147-L163 HydrophobicContact CE2-CD2 3.6Å; F147-L163 HydrophobicContact CZ-CD2 3.84Å; L159-L163 WeakPolarHBondContact O-CB 3.22Å; L159-L163 PolarHBondContact O-N 2.86Å; V160-L163 WeakPolarHBondContact O-CB 3.48Å; V160-L163 PolarHBondContact O-N 3.26Å; V160-L163 VanDerWaalsContact O-N 3.12Å; L163-T165 VanDerWaalsContact C-N 3.33Å; L163-T165 PolarHBondContact O-N 2.97Å; L163-H166 CarbonylContact O-C 3.4Å; L163-H166 PolarHBondContact O-N 2.96Å; L163-H167 HydrophobicContact CD1-CB 3.61Å; L163-H167 HydrophobicContact CG-CB 4.2Å; L163-H167 PolarHBondContact O-N 3.12Å; L163-L168 HydrophobicContact CD2-CD1 3.83Å; L163-L168 HydrophobicContact CD2-CG 4.21Å; L163-L168 HydrophobicContact CG-CD1 4.05Å; L163-L168 HydrophobicContact CG-CG 4.03Å; L163-L168 PolarHBondContact O-N 3.16Å; L163-W218 HydrophobicContact CD1-CH2 3.49Å; L163-W218 VanDerWaalsContact CD1-CH2 3.49Å; L163-W218 HydrophobicContact CD1-CZ2 3.96Å; L163-W218 HydrophobicContact CD1-CZ3 4.33Å; L163-W218 HydrophobicContact CD2-CH2 3.92Å; L163-W218 HydrophobicContact CD2-CZ2 4.39Å; L163-W218 HydrophobicContact CD2-CZ3 4.08Å; L163-W218 HydrophobicContact CG-CH2 4.26Å; L163-L237 HydrophobicContact CD1-CD2 3.84Å |
| 164 | S | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.5 | -29.5 | -179 | -63.2 | 0 | 0 | 0 | 0 | 113.9 | Y140 V160 K162 H166 R169 M172 | Y140-S164 VanDerWaalsContact CE2-OG 3.25Å; Y140-S164 WeakPolarHBondContact CE2-OG 3.15Å; Y140-S164 PolarHBondContact OH-OG 3.06Å; V160-S164 VanDerWaalsContact O-CB 3.27Å; V160-S164 WeakPolarHBondContact O-CB 3.48Å; V160-S164 PolarHBondContact O-N 3.42Å; V160-S164 PolarHBondContact O-OG 3.3Å; K162-S164 VanDerWaalsContact C-N 3.32Å; K162-S164 PolarHBondContact O-N 3.32Å; S164-H166 VanDerWaalsContact C-N 3.35Å; S164-R169 VanDerWaalsContact O-CA 3.28Å; S164-R169 WeakPolarHBondContact O-CA 3.47Å; S164-R169 PolarHBondContact O-N 3.18Å; S164-M172 VanDerWaalsContact CB-SD 3.57Å |
| 165 | T | 94.7 | Very high | 94.7 | Very high | 37 Ų | 37 | 21.1 Ų | 21.1 | 23% | 0.227 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -85.4 | -7.5 | 175.1 | 49.8 | 0 | 0 | 0 | 0 | 113.6 | N131 L134 E161 K162 L163 | N131-T165 WeakPolarHBondContact OD1-CG2 3.29Å; L134-T165 HydrophobicContact CD1-CG2 4.27Å; E161-T165 WeakPolarHBondContact O-CG2 3.43Å; E161-T165 PolarHBondContact O-N 3.39Å; E161-T165 PolarHBondContact O-OG1 3.37Å; K162-T165 PolarHBondContact O-N 2.97Å; K162-T165 PolarHBondContact O-OG1 2.81Å; L163-T165 VanDerWaalsContact C-N 3.33Å; L163-T165 PolarHBondContact O-N 2.97Å |
| 166 | H | 91 | Very high | 94.2 | Very high | 38 Ų | 38 | 23.1 Ų | 23.1 | 18% | 0.176 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127 | -79.7 | -177.2 | -60.9 | 63.3 | 0 | 0 | 0 | 111.1 | K162 L163 S164 R169 A312 F319 | K162-H166 VanDerWaalsContact CE-CE1 3.47Å; K162-H166 WeakPolarHBondContact CE-CE1 3.5Å; K162-H166 PolarHBondContact NZ-CE1 3.05Å; K162-H166 PolarHBondContact NZ-NE2 2.96Å; K162-H166 PolarHBondContact O-N 3.3Å; K162-H166 PolarHBondContact O-ND1 3.09Å; L163-H166 CarbonylContact O-C 3.4Å; L163-H166 PolarHBondContact O-N 2.96Å; S164-H166 VanDerWaalsContact C-N 3.35Å; H166-R169 WeakPolarHBondContact O-CB 3.3Å; H166-R169 PolarHBondContact O-N 3.36Å; H166-A312 WeakPolarHBondContact O-CB 3.38Å; H166-F319 AromaticContact CD2-CD2 3.69Å |
| 167 | H | 92.3 | Very high | 93.6 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 3% | 0.028 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -38.7 | -170.7 | -64.4 | 67.7 | 0 | 0 | 0 | 112.9 | L163 W218 P241 | L163-H167 HydrophobicContact CD1-CB 3.61Å; L163-H167 HydrophobicContact CG-CB 4.2Å; L163-H167 PolarHBondContact O-N 3.12Å; H167-W218 HydrophobicContact CB-CZ2 4.16Å; H167-P241 HydrophobicContact CB-CB 4.47Å |
| 168 | L | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 4.6 | -179.4 | -45.7 | 173 | 0 | 0 | 0 | 112.3 | Y140 I143 L163 D170 F171 M172 W218 | Y140-L168 HydrophobicContact CD2-CD1 4.14Å; Y140-L168 HydrophobicContact CE2-CD1 3.84Å; I143-L168 HydrophobicContact CD1-CD1 3.72Å; I143-L168 HydrophobicContact CD1-CD2 3.62Å; I143-L168 HydrophobicContact CD1-CG 4.33Å; I143-L168 HydrophobicContact CG2-CD1 4.23Å; L163-L168 HydrophobicContact CD2-CD1 3.83Å; L163-L168 HydrophobicContact CD2-CG 4.21Å; L163-L168 HydrophobicContact CG-CD1 4.05Å; L163-L168 HydrophobicContact CG-CG 4.03Å; L163-L168 PolarHBondContact O-N 3.16Å; L168-D170 VanDerWaalsContact C-N 3.25Å; L168-D170 PolarHBondContact O-N 3.35Å; L168-F171 HydrophobicContact CB-CD2 4.08Å; L168-F171 HydrophobicContact CD2-CD2 3.81Å; L168-F171 HydrophobicContact CD2-CE2 3.97Å; L168-F171 WeakPolarHBondContact O-CB 3.47Å; L168-F171 PolarHBondContact O-N 3.17Å; L168-M172 PolarHBondContact O-N 2.95Å; L168-W218 HydrophobicContact CD2-CZ2 4.36Å |
| 169 | R | 94.3 | Very high | 92.6 | Very high | 41 Ų | 41 | 28.2 Ų | 28.2 | 16% | 0.155 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -54.5 | -44.2 | -170.2 | 175.8 | 60.8 | -167.7 | 86.8 | 5.4 | 111.9 | S164 H166 F171 M172 D173 M311 | S164-R169 VanDerWaalsContact O-CA 3.28Å; S164-R169 WeakPolarHBondContact O-CA 3.47Å; S164-R169 PolarHBondContact O-N 3.18Å; H166-R169 WeakPolarHBondContact O-CB 3.3Å; H166-R169 PolarHBondContact O-N 3.36Å; R169-F171 VanDerWaalsContact C-N 3.33Å; R169-M172 PolarHBondContact O-N 3.33Å; R169-D173 IonicContact CZ-OD1 3.57Å; R169-D173 VanDerWaalsContact CZ-OD1 3.29Å; R169-D173 IonicContact NH1-OD1 2.83Å; R169-D173 PolarHBondContact NH1-OD1 3.35Å; R169-D173 IonicContact NH1-OD2 3.53Å; R169-D173 IonicContact NH2-OD1 3.89Å; R169-D173 PolarHBondContact NH2-OD1 2.98Å; R169-M311 HydrophobicContact CG-CB 4.34Å; R169-M311 HydrophobicContact CG-CE 4.14Å |
| 170 | D | 91.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -70.3 | -28.3 | -178.4 | -62.6 | -39.9 | 0 | 0 | 0 | 112.4 | L168 M172 N178 I182 S310 M311 A312 | L168-D170 VanDerWaalsContact C-N 3.25Å; L168-D170 PolarHBondContact O-N 3.35Å; D170-M172 VanDerWaalsContact C-N 3.28Å; D170-N178 HydrophobicContact CB-CB 4.01Å; D170-I182 HydrophobicContact CB-CD1 3.77Å; D170-S310 WeakPolarHBondContact OD2-CB 3.21Å; D170-S310 PolarHBondContact OD2-OG 3.38Å; D170-M311 WeakPolarHBondContact OD1-CB 3.34Å; D170-M311 PolarHBondContact OD1-N 2.72Å; D170-M311 VanDerWaalsContact OD1-N 3.14Å; D170-A312 VanDerWaalsContact OD2-CB 3.31Å; D170-A312 WeakPolarHBondContact OD2-CB 3.43Å; D170-A312 PolarHBondContact OD2-N 2.9Å |
| 171 | F | 94.1 | Very high | 91.5 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 4% | 0.039 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -74.6 | -20.6 | 174.7 | -52.3 | -37.5 | 0 | 0 | 0 | 112.7 | Y137 L168 R169 M176 T179 I182 L215 I216 | Y137-F171 HydrophobicContact CD1-CB 4.07Å; Y137-F171 WeakPolarHBondContact CD1-O 3.48Å; Y137-F171 HydrophobicContact CE1-CB 3.67Å; L168-F171 HydrophobicContact CB-CD2 4.08Å; L168-F171 HydrophobicContact CD2-CD2 3.81Å; L168-F171 HydrophobicContact CD2-CE2 3.97Å; L168-F171 WeakPolarHBondContact O-CB 3.47Å; L168-F171 PolarHBondContact O-N 3.17Å; R169-F171 VanDerWaalsContact C-N 3.33Å; F171-M176 WeakPolarHBondContact O-CE 3.36Å; F171-T179 HydrophobicContact CD1-CG2 3.61Å; F171-T179 HydrophobicContact CE1-CG2 3.85Å; F171-I182 HydrophobicContact CD1-CD1 4.23Å; F171-I182 HydrophobicContact CE1-CD1 3.55Å; F171-I182 HydrophobicContact CZ-CD1 4.11Å; F171-L215 HydrophobicContact CZ-CB 4.18Å; F171-I216 HydrophobicContact CD1-CG2 4.12Å; F171-I216 HydrophobicContact CE1-CG2 4.46Å; F171-I216 HydrophobicContact CG-CG2 4.19Å |
| 172 | M | 95.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -101.3 | 19.2 | -178.6 | -60.5 | -169.4 | 85.7 | 0 | 0 | 112.9 | L128 L134 H135 Y137 Y140 S164 L168 R169 D170 | L128-M172 HydrophobicContact CD2-CE 3.65Å; L134-M172 HydrophobicContact CB-CB 4.21Å; L134-M172 HydrophobicContact CB-CE 3.94Å; L134-M172 HydrophobicContact CB-SD 4.27Å; L134-M172 HydrophobicContact CD1-CE 4.32Å; L134-M172 HydrophobicContact CD1-SD 4Å; L134-M172 HydrophobicContact CD2-CB 3.92Å; L134-M172 HydrophobicContact CD2-SD 4.3Å; L134-M172 HydrophobicContact CG-SD 4.43Å; H135-M172 WeakPolarHBondContact CB-O 3.37Å; H135-M172 PolarHBondContact N-O 3.2Å; H135-M172 WeakPolarHBondContact O-CA 3.31Å; Y137-M172 HydrophobicContact CD1-CG 3.8Å; Y137-M172 HydrophobicContact CE1-CG 3.65Å; Y140-M172 HydrophobicContact CD1-CE 4.38Å; Y140-M172 HydrophobicContact CD2-CE 4.36Å; Y140-M172 HydrophobicContact CD2-SD 4.38Å; Y140-M172 HydrophobicContact CE1-CE 4.12Å; Y140-M172 HydrophobicContact CE2-CE 4.12Å; Y140-M172 HydrophobicContact CE2-SD 3.98Å; Y140-M172 HydrophobicContact CG-CE 4.48Å; S164-M172 VanDerWaalsContact CB-SD 3.57Å; L168-M172 PolarHBondContact O-N 2.95Å; R169-M172 PolarHBondContact O-N 3.33Å; D170-M172 VanDerWaalsContact C-N 3.28Å |
| 173 | D | 92.4 | Very high | 91.1 | Very high | 16 Ų | 16 | 32.5 Ų | 32.5 | 9% | 0.086 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -74.7 | 161.1 | 169.1 | -86.4 | -37.4 | 0 | 0 | 0 | 112.1 | R169 T175 N178 M311 | R169-D173 IonicContact CZ-OD1 3.57Å; R169-D173 VanDerWaalsContact CZ-OD1 3.29Å; R169-D173 IonicContact NH1-OD1 2.83Å; R169-D173 PolarHBondContact NH1-OD1 3.35Å; R169-D173 IonicContact NH1-OD2 3.53Å; R169-D173 IonicContact NH2-OD1 3.89Å; R169-D173 PolarHBondContact NH2-OD1 2.98Å; D173-T175 PolarHBondContact O-N 2.81Å; D173-T175 VanDerWaalsContact O-N 3.13Å; D173-N178 PolarHBondContact OD2-ND2 3.23Å; D173-M311 VanDerWaalsContact OD2-CE 3.23Å; D173-M311 WeakPolarHBondContact OD2-CE 3.41Å |
| 174 | P | 91.2 | Very high | 90.8 | Very high | 92 Ų | 92 | 35.3 Ų | 35.3 | 60% | 0.597 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -58.9 | -25.1 | 178.6 | -18.9 | 27 | 0 | 0 | 0 | 113.9 | ||
| 175 | T | 89.5 | Confident | 90.6 | Very high | 71 Ų | 71 | 35.6 Ų | 35.6 | 44% | 0.436 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -125 | 156.5 | 176.9 | 77.7 | 0 | 0 | 0 | 0 | 110.6 | D173 D177 | D173-T175 PolarHBondContact O-N 2.81Å; D173-T175 VanDerWaalsContact O-N 3.13Å; T175-D177 WeakPolarHBondContact CB-OD2 3.5Å; T175-D177 PolarHBondContact O-N 2.88Å; T175-D177 PolarHBondContact OG1-OD2 3.12Å |
| 176 | M | 85 | Confident | 90.7 | Very high | 67 Ų | 67 | 33.8 Ų | 33.8 | 33% | 0.33 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -80.9 | 10 | 178 | -69.6 | -65.9 | 115.8 | 0 | 0 | 113.5 | F171 N178 T179 K180 | F171-M176 WeakPolarHBondContact O-CE 3.36Å; M176-N178 PolarHBondContact O-N 3.24Å; M176-T179 WeakPolarHBondContact O-CB 3.36Å; M176-T179 PolarHBondContact O-N 3.27Å; M176-K180 WeakPolarHBondContact O-CG 3.29Å; M176-K180 PolarHBondContact O-N 3Å |
| 177 | D | 84.6 | Confident | 90.8 | Very high | 72 Ų | 72 | 33.4 Ų | 33.4 | 39% | 0.385 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -68.4 | -38.4 | -172.3 | -60.2 | -40.7 | 0 | 0 | 0 | 111.8 | T175 T179 K180 H181 | T175-D177 WeakPolarHBondContact CB-OD2 3.5Å; T175-D177 PolarHBondContact O-N 2.88Å; T175-D177 PolarHBondContact OG1-OD2 3.12Å; D177-T179 VanDerWaalsContact C-N 3.34Å; D177-T179 PolarHBondContact O-N 2.96Å; D177-K180 WeakPolarHBondContact O-CB 3.25Å; D177-K180 PolarHBondContact O-N 2.93Å; D177-K180 IonicContact OD1-NZ 3.29Å; D177-K180 PolarHBondContact OD1-NZ 3.39Å; D177-H181 PolarHBondContact O-CD2 3.47Å; D177-H181 PolarHBondContact O-N 3.19Å |
| 178 | N | 85.4 | Confident | 91 | Very high | 52 Ų | 52 | 33.6 Ų | 33.6 | 28% | 0.278 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -65.3 | -37.5 | 172.9 | -71.5 | -24.3 | 0 | 0 | 0 | 112.1 | D170 D173 M176 K180 H181 I182 | D170-N178 HydrophobicContact CB-CB 4.01Å; D173-N178 PolarHBondContact OD2-ND2 3.23Å; M176-N178 PolarHBondContact O-N 3.24Å; N178-K180 VanDerWaalsContact C-N 3.33Å; N178-K180 PolarHBondContact O-N 3.18Å; N178-H181 WeakPolarHBondContact O-CB 3.16Å; N178-H181 PolarHBondContact O-N 3.32Å; N178-I182 PolarHBondContact O-N 3.39Å |
| 179 | T | 87 | Confident | 91 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 171.6 | -48.2 | 0 | 0 | 0 | 0 | 111.9 | F171 M176 D177 H181 I182 L183 L212 I216 | F171-T179 HydrophobicContact CD1-CG2 3.61Å; F171-T179 HydrophobicContact CE1-CG2 3.85Å; M176-T179 WeakPolarHBondContact O-CB 3.36Å; M176-T179 PolarHBondContact O-N 3.27Å; D177-T179 VanDerWaalsContact C-N 3.34Å; D177-T179 PolarHBondContact O-N 2.96Å; T179-H181 VanDerWaalsContact C-N 3.34Å; T179-H181 PolarHBondContact O-N 3.45Å; T179-I182 PolarHBondContact O-N 2.82Å; T179-L183 PolarHBondContact O-N 2.8Å; T179-L183 VanDerWaalsContact O-N 3.08Å; T179-L212 HydrophobicContact CG2-CD1 3.28Å; T179-I216 HydrophobicContact CG2-CG2 3.93Å |
| 180 | K | 85.4 | Confident | 91.2 | Very high | 113 Ų | 113 | 31.6 Ų | 31.6 | 49% | 0.491 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.1 | -39.7 | 174.6 | -66.7 | 170.3 | -168.3 | 159 | 0 | 111.6 | M176 D177 N178 I182 L183 N184 | M176-K180 WeakPolarHBondContact O-CG 3.29Å; M176-K180 PolarHBondContact O-N 3Å; D177-K180 WeakPolarHBondContact O-CB 3.25Å; D177-K180 PolarHBondContact O-N 2.93Å; D177-K180 IonicContact OD1-NZ 3.29Å; D177-K180 PolarHBondContact OD1-NZ 3.39Å; N178-K180 VanDerWaalsContact C-N 3.33Å; N178-K180 PolarHBondContact O-N 3.18Å; K180-I182 VanDerWaalsContact C-N 3.29Å; K180-I182 PolarHBondContact O-N 3.17Å; K180-L183 WeakPolarHBondContact O-CB 3.48Å; K180-L183 PolarHBondContact O-N 3.02Å; K180-L183 VanDerWaalsContact O-N 3.09Å; K180-N184 PolarHBondContact O-N 3Å; K180-N184 PolarHBondContact O-OD1 3.38Å |
| 181 | H | 86.4 | Confident | 91.4 | Very high | 55 Ų | 55 | 35.7 Ų | 35.7 | 26% | 0.255 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.4 | -36.9 | 175.2 | -69.2 | -51.1 | 0 | 0 | 0 | 112.6 | D177 N178 T179 N184 Y185 A307 | D177-H181 PolarHBondContact O-CD2 3.47Å; D177-H181 PolarHBondContact O-N 3.19Å; N178-H181 WeakPolarHBondContact O-CB 3.16Å; N178-H181 PolarHBondContact O-N 3.32Å; T179-H181 VanDerWaalsContact C-N 3.34Å; T179-H181 PolarHBondContact O-N 3.45Å; H181-N184 PolarHBondContact O-N 3.27Å; H181-Y185 WeakPolarHBondContact O-CD2 3.47Å; H181-A307 HydrophobicContact CB-CB 4.3Å |
| 182 | I | 91 | Very high | 91.4 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 5% | 0.046 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.8 | -41.9 | 172.7 | -65.4 | 168.9 | 0 | 0 | 0 | 110.6 | D170 F171 N178 T179 K180 N184 Y185 L215 L242 | D170-I182 HydrophobicContact CB-CD1 3.77Å; F171-I182 HydrophobicContact CD1-CD1 4.23Å; F171-I182 HydrophobicContact CE1-CD1 3.55Å; F171-I182 HydrophobicContact CZ-CD1 4.11Å; N178-I182 PolarHBondContact O-N 3.39Å; T179-I182 PolarHBondContact O-N 2.82Å; K180-I182 VanDerWaalsContact C-N 3.29Å; K180-I182 PolarHBondContact O-N 3.17Å; I182-N184 VanDerWaalsContact C-N 3.26Å; I182-N184 PolarHBondContact O-N 3.1Å; I182-Y185 WeakPolarHBondContact O-CD2 3.49Å; I182-Y185 PolarHBondContact O-N 3.16Å; I182-L215 HydrophobicContact CG2-CD2 3.53Å; I182-L242 HydrophobicContact CB-CD2 4.49Å; I182-L242 HydrophobicContact CG1-CD2 4.05Å; I182-L242 HydrophobicContact CG2-CD2 3.86Å |
| 183 | L | 91.9 | Very high | 91.5 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.9 | -29.2 | 177.4 | -71.7 | 170.8 | 0 | 0 | 0 | 113.3 | T179 K180 Y185 L186 A211 L212 L215 I245 | T179-L183 PolarHBondContact O-N 2.8Å; T179-L183 VanDerWaalsContact O-N 3.08Å; K180-L183 WeakPolarHBondContact O-CB 3.48Å; K180-L183 PolarHBondContact O-N 3.02Å; K180-L183 VanDerWaalsContact O-N 3.09Å; L183-Y185 PolarHBondContact O-N 3.14Å; L183-Y185 VanDerWaalsContact O-N 3.16Å; L183-L186 WeakPolarHBondContact O-CB 3.33Å; L183-L186 PolarHBondContact O-N 3.05Å; L183-A211 HydrophobicContact CD2-CB 3.97Å; L183-L212 HydrophobicContact CD1-CB 3.97Å; L183-L212 HydrophobicContact CD1-CD1 3.93Å; L183-L215 HydrophobicContact CD2-CD1 4.23Å; L183-L215 HydrophobicContact CD2-CD2 3.95Å; L183-I245 HydrophobicContact CD2-CD1 4.36Å |
| 184 | N | 90.8 | Very high | 91.7 | Very high | 59 Ų | 59 | 43.5 Ų | 43.5 | 32% | 0.316 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -16.4 | 178.3 | -71.8 | -5.4 | 0 | 0 | 0 | 113.8 | K180 H181 I182 L186 P188 A305 | K180-N184 PolarHBondContact O-N 3Å; K180-N184 PolarHBondContact O-OD1 3.38Å; H181-N184 PolarHBondContact O-N 3.27Å; I182-N184 VanDerWaalsContact C-N 3.26Å; I182-N184 PolarHBondContact O-N 3.1Å; N184-L186 PolarHBondContact O-N 2.96Å; N184-P188 WeakPolarHBondContact O-CD 3.45Å; N184-A305 HydrophobicContact CB-CB 4.16Å; N184-A305 WeakPolarHBondContact CB-O 3.44Å; N184-A305 PolarHBondContact ND2-O 2.82Å |
| 185 | Y | 93.8 | Very high | 92 | Very high | 6 Ų | 6 | 42.5 Ų | 42.5 | 2% | 0.024 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -19.8 | 171.7 | -74 | -93 | 0 | 0 | 0 | 112.5 | H181 I182 L183 P188 I189 P298 L301 A305 A307 | H181-Y185 WeakPolarHBondContact O-CD2 3.47Å; I182-Y185 WeakPolarHBondContact O-CD2 3.49Å; I182-Y185 PolarHBondContact O-N 3.16Å; L183-Y185 PolarHBondContact O-N 3.14Å; L183-Y185 VanDerWaalsContact O-N 3.16Å; Y185-P188 WeakPolarHBondContact O-CD 3.43Å; Y185-I189 VanDerWaalsContact O-CD1 3.29Å; Y185-I189 WeakPolarHBondContact O-CD1 3.47Å; Y185-I189 WeakPolarHBondContact O-CG1 3.17Å; Y185-I189 PolarHBondContact O-N 3.24Å; Y185-P298 HydrophobicContact CE1-CB 4.25Å; Y185-L301 HydrophobicContact CD1-CB 3.89Å; Y185-L301 HydrophobicContact CE1-CB 4.09Å; Y185-A305 HydrophobicContact CD1-CB 4.14Å; Y185-A305 HydrophobicContact CD2-CB 4.22Å; Y185-A305 HydrophobicContact CE1-CB 4.27Å; Y185-A305 HydrophobicContact CE2-CB 4.35Å; Y185-A305 HydrophobicContact CG-CB 4.11Å; Y185-A307 HydrophobicContact CD2-CB 4.24Å; Y185-A307 HydrophobicContact CE2-CB 3.41Å; Y185-A307 VanDerWaalsContact CE2-CB 3.41Å |
| 186 | L | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.3 | -51.5 | -175.6 | -170 | 54.5 | 0 | 0 | 0 | 112.5 | L183 N184 I189 I190 T208 F210 A211 I245 A248 A249 | L183-L186 WeakPolarHBondContact O-CB 3.33Å; L183-L186 PolarHBondContact O-N 3.05Å; N184-L186 PolarHBondContact O-N 2.96Å; L186-I189 PolarHBondContact O-N 3.5Å; L186-I190 HydrophobicContact CD1-CD1 3.99Å; L186-I190 HydrophobicContact CD1-CG1 4.43Å; L186-I190 HydrophobicContact CG-CD1 3.85Å; L186-I190 WeakPolarHBondContact O-CG1 3.39Å; L186-I190 PolarHBondContact O-N 3.26Å; L186-T208 HydrophobicContact CB-CG2 4.09Å; L186-T208 HydrophobicContact CD2-CG2 4.2Å; L186-F210 HydrophobicContact CD2-CE1 4.41Å; L186-F210 HydrophobicContact CD2-CE2 4.19Å; L186-F210 HydrophobicContact CD2-CZ 3.66Å; L186-A211 HydrophobicContact CD2-CB 3.97Å; L186-I245 HydrophobicContact CB-CD1 3.87Å; L186-I245 HydrophobicContact CB-CG1 4.36Å; L186-I245 HydrophobicContact CD1-CD1 4.12Å; L186-I245 HydrophobicContact CG-CD1 4.41Å; L186-A248 HydrophobicContact CD1-CB 4.26Å; L186-A249 HydrophobicContact CD1-CB 3.71Å |
| 187 | M | 94.4 | Very high | 93.1 | Very high | 30 Ų | 30 | 42 Ų | 42 | 15% | 0.148 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.5 | -46.6 | -174.7 | -65.2 | -60.7 | -74.6 | 0 | 0 | 112.5 | I189 I190 E191 Q198 M201 Q202 T208 | M187-I189 VanDerWaalsContact C-N 3.34Å; M187-I189 PolarHBondContact O-N 3.21Å; M187-I190 PolarHBondContact O-N 3.36Å; M187-E191 WeakPolarHBondContact O-CB 3.28Å; M187-E191 PolarHBondContact O-N 3.22Å; M187-Q198 HydrophobicContact CE-CG 3.82Å; M187-M201 HydrophobicContact CE-CB 3.96Å; M187-M201 HydrophobicContact SD-CE 4.04Å; M187-Q202 HydrophobicContact CE-CG 3.63Å; M187-T208 HydrophobicContact CG-CG2 3.78Å; M187-T208 HydrophobicContact SD-CG2 4.4Å |
| 188 | P | 94.8 | Very high | 93.7 | Very high | 9 Ų | 9 | 38.9 Ų | 38.9 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.9 | -40.2 | 173.2 | -26 | 35.3 | 0 | 0 | 0 | 113.3 | N184 Y185 I190 E191 R192 L301 E304 A305 | N184-P188 WeakPolarHBondContact O-CD 3.45Å; Y185-P188 WeakPolarHBondContact O-CD 3.43Å; P188-I190 VanDerWaalsContact C-N 3.34Å; P188-I190 PolarHBondContact O-N 3.26Å; P188-E191 PolarHBondContact O-N 2.75Å; P188-R192 VanDerWaalsContact O-CG 3.28Å; P188-R192 WeakPolarHBondContact O-CG 3.09Å; P188-R192 PolarHBondContact O-N 3.24Å; P188-R192 VanDerWaalsContact O-N 3.11Å; P188-L301 HydrophobicContact CB-CD2 4.12Å; P188-E304 HydrophobicContact CB-CB 4.37Å; P188-E304 HydrophobicContact CG-CB 4.23Å; P188-A305 HydrophobicContact CG-CB 4.48Å |
| 189 | I | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62 | -45.3 | 177.5 | -64.8 | 163.5 | 0 | 0 | 0 | 110.4 | Y185 L186 M187 R192 V193 I245 Y246 A249 L292 L301 | Y185-I189 VanDerWaalsContact O-CD1 3.29Å; Y185-I189 WeakPolarHBondContact O-CD1 3.47Å; Y185-I189 WeakPolarHBondContact O-CG1 3.17Å; Y185-I189 PolarHBondContact O-N 3.24Å; L186-I189 PolarHBondContact O-N 3.5Å; M187-I189 VanDerWaalsContact C-N 3.34Å; M187-I189 PolarHBondContact O-N 3.21Å; I189-R192 PolarHBondContact O-N 3.21Å; I189-V193 WeakPolarHBondContact O-CG2 3.39Å; I189-I245 HydrophobicContact CD1-CG2 4.35Å; I189-Y246 HydrophobicContact CD1-CD1 3.8Å; I189-Y246 HydrophobicContact CD1-CD2 4.23Å; I189-Y246 HydrophobicContact CD1-CE1 3.7Å; I189-Y246 HydrophobicContact CD1-CE2 4.12Å; I189-Y246 HydrophobicContact CD1-CG 4.06Å; I189-Y246 HydrophobicContact CG1-CD1 4.36Å; I189-Y246 HydrophobicContact CG1-CE1 4.03Å; I189-Y246 HydrophobicContact CG2-CD1 4.44Å; I189-A249 HydrophobicContact CB-CB 4.05Å; I189-A249 HydrophobicContact CG2-CB 3.47Å; I189-A249 VanDerWaalsContact CG2-CB 3.47Å; I189-L292 HydrophobicContact CG2-CD1 3.88Å; I189-L301 HydrophobicContact CD1-CD1 4.29Å; I189-L301 HydrophobicContact CG1-CD1 3.46Å; I189-L301 VanDerWaalsContact CG1-CD1 3.46Å |
| 190 | I | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -46.2 | 178.3 | -64.5 | 168 | 0 | 0 | 0 | 109.9 | L186 M187 P188 R192 V193 N194 V197 Q198 M201 A249 V252 L253 | L186-I190 HydrophobicContact CD1-CD1 3.99Å; L186-I190 HydrophobicContact CD1-CG1 4.43Å; L186-I190 HydrophobicContact CG-CD1 3.85Å; L186-I190 WeakPolarHBondContact O-CG1 3.39Å; L186-I190 PolarHBondContact O-N 3.26Å; M187-I190 PolarHBondContact O-N 3.36Å; P188-I190 VanDerWaalsContact C-N 3.34Å; P188-I190 PolarHBondContact O-N 3.26Å; I190-R192 VanDerWaalsContact C-N 3.28Å; I190-R192 PolarHBondContact O-N 2.97Å; I190-V193 PolarHBondContact O-N 2.83Å; I190-N194 CarbonylContact O-C 3.45Å; I190-N194 PolarHBondContact O-N 2.86Å; I190-V197 HydrophobicContact CG2-CB 4.19Å; I190-V197 HydrophobicContact CG2-CG1 3.88Å; I190-Q198 HydrophobicContact CG2-CB 4.03Å; I190-M201 HydrophobicContact CD1-CE 4.34Å; I190-M201 HydrophobicContact CD1-SD 4.07Å; I190-A249 HydrophobicContact CG1-CB 4.34Å; I190-V252 HydrophobicContact CD1-CB 4.14Å; I190-V252 HydrophobicContact CD1-CG1 3.83Å; I190-L253 HydrophobicContact CG1-CG 4.48Å; I190-L253 HydrophobicContact CG2-CD2 4.04Å |
| 191 | E | 96.3 | Very high | 95.3 | Very high | 87 Ų | 87 | 36.2 Ų | 36.2 | 41% | 0.407 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -53.8 | -43.6 | 178.9 | -164.1 | 177.5 | 156.4 | 0 | 0 | 112.6 | M187 P188 V193 P195 Q198 | M187-E191 WeakPolarHBondContact O-CB 3.28Å; M187-E191 PolarHBondContact O-N 3.22Å; P188-E191 PolarHBondContact O-N 2.75Å; E191-V193 PolarHBondContact O-N 3.04Å; E191-P195 WeakPolarHBondContact O-CD 3.43Å; E191-P195 WeakPolarHBondContact O-CG 3.15Å; E191-Q198 HydrophobicContact CB-CB 4.21Å; E191-Q198 HydrophobicContact CB-CG 3.8Å; E191-Q198 HydrophobicContact CG-CG 4.19Å; E191-Q198 PolarHBondContact OE2-NE2 2.68Å; E191-Q198 VanDerWaalsContact OE2-NE2 3.15Å |
| 192 | R | 95.1 | Very high | 95.8 | Very high | 94 Ų | 94 | 38.8 Ų | 38.8 | 36% | 0.355 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -68.4 | -22.7 | -178.5 | -64.6 | -59.4 | -174.3 | 80.8 | 2.3 | 113.6 | P188 I189 I190 F296 E304 | P188-R192 VanDerWaalsContact O-CG 3.28Å; P188-R192 WeakPolarHBondContact O-CG 3.09Å; P188-R192 PolarHBondContact O-N 3.24Å; P188-R192 VanDerWaalsContact O-N 3.11Å; I189-R192 PolarHBondContact O-N 3.21Å; I190-R192 VanDerWaalsContact C-N 3.28Å; I190-R192 PolarHBondContact O-N 2.97Å; R192-F296 HydrophobicContact CB-CD1 4Å; R192-F296 HydrophobicContact CB-CD2 4.07Å; R192-F296 HydrophobicContact CB-CE1 3.69Å; R192-F296 HydrophobicContact CB-CE2 3.76Å; R192-F296 HydrophobicContact CB-CG 4.18Å; R192-F296 HydrophobicContact CB-CZ 3.56Å; R192-F296 HydrophobicContact CG-CD1 4Å; R192-F296 HydrophobicContact CG-CE1 4.05Å; R192-F296 HydrophobicContact CG-CG 4.32Å; R192-F296 HydrophobicContact CG-CZ 4.41Å; R192-E304 IonicContact CZ-OE1 3.26Å; R192-E304 IonicContact CZ-OE2 3.91Å; R192-E304 IonicContact NE-OE2 3.61Å; R192-E304 IonicContact NH2-OE1 2.76Å; R192-E304 PolarHBondContact NH2-OE1 2.91Å; R192-E304 IonicContact NH2-OE2 2.73Å; R192-E304 PolarHBondContact NH2-OE2 2.99Å |
| 193 | V | 97 | Very high | 96.1 | Very high | 67 Ų | 67 | 45 Ų | 45 | 41% | 0.406 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -100.3 | -48.6 | -177.8 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | I189 I190 E191 L253 L292 F296 | I189-V193 WeakPolarHBondContact O-CG2 3.39Å; I190-V193 PolarHBondContact O-N 2.83Å; E191-V193 PolarHBondContact O-N 3.04Å; V193-L253 HydrophobicContact CB-CD1 3.77Å; V193-L253 HydrophobicContact CB-CD2 4Å; V193-L253 HydrophobicContact CG1-CD1 3.85Å; V193-L253 HydrophobicContact CG1-CD2 4.01Å; V193-L253 HydrophobicContact CG2-CD1 3.94Å; V193-L292 HydrophobicContact CG2-CD1 4.13Å; V193-L292 HydrophobicContact CG2-CD2 3.41Å; V193-L292 VanDerWaalsContact CG2-CD2 3.41Å; V193-L292 HydrophobicContact CG2-CG 4.44Å; V193-F296 HydrophobicContact CG2-CE2 3.95Å |
| 194 | N | 97.6 | Very high | 96.3 | Very high | 27 Ų | 27 | 45 Ų | 45 | 14% | 0.144 | 22% | 0.224 | C | C | . | . | trans | -141.5 | 92.8 | -179.8 | -168.9 | -24.9 | 0 | 0 | 0 | 110.1 | I190 E196 V197 Q198 L253 E256 | I190-N194 CarbonylContact O-C 3.45Å; I190-N194 PolarHBondContact O-N 2.86Å; N194-E196 PolarHBondContact O-N 3.33Å; N194-E196 WeakPolarHBondContact OD1-CB 3.42Å; N194-E196 PolarHBondContact OD1-N 3.28Å; N194-E196 VanDerWaalsContact OD1-N 3.09Å; N194-V197 HydrophobicContact CB-CB 4.3Å; N194-V197 HydrophobicContact CB-CG2 4.18Å; N194-V197 WeakPolarHBondContact ND2-CG2 3.36Å; N194-V197 PolarHBondContact O-N 3.13Å; N194-V197 PolarHBondContact OD1-N 2.74Å; N194-Q198 PolarHBondContact O-N 3.28Å; N194-L253 HydrophobicContact CB-CD2 3.67Å; N194-E256 PolarHBondContact ND2-OE2 3.14Å | ||
| 195 | P | 97.4 | Very high | 96.5 | Very high | 72 Ų | 72 | 50 Ų | 50 | 47% | 0.468 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.4 | -31.5 | 176.3 | -22.4 | 30.9 | 0 | 0 | 0 | 113.7 | E191 Q198 D199 | E191-P195 WeakPolarHBondContact O-CD 3.43Å; E191-P195 WeakPolarHBondContact O-CG 3.15Å; P195-Q198 PolarHBondContact O-N 3.12Å; P195-D199 WeakPolarHBondContact O-CB 3.44Å; P195-D199 PolarHBondContact O-N 2.92Å |
| 196 | E | 98.1 | Very high | 96.6 | Very high | 128 Ų | 128 | 50 Ų | 50 | 60% | 0.598 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -66.5 | -43.6 | -178.4 | -175.3 | 177.8 | -170.5 | 0 | 0 | 111.5 | N194 Q198 D199 F200 L260 | N194-E196 PolarHBondContact O-N 3.33Å; N194-E196 WeakPolarHBondContact OD1-CB 3.42Å; N194-E196 PolarHBondContact OD1-N 3.28Å; N194-E196 VanDerWaalsContact OD1-N 3.09Å; E196-Q198 VanDerWaalsContact C-N 3.3Å; E196-Q198 PolarHBondContact O-N 2.99Å; E196-D199 PolarHBondContact O-N 3.23Å; E196-F200 WeakPolarHBondContact O-CB 3.21Å; E196-F200 PolarHBondContact O-N 3.25Å; E196-L260 HydrophobicContact CG-CD1 4.23Å; E196-L260 HydrophobicContact CG-CD2 4.02Å |
| 197 | V | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63 | -41 | 173.5 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | I190 N194 F200 M201 V252 E256 V259 L260 | I190-V197 HydrophobicContact CG2-CB 4.19Å; I190-V197 HydrophobicContact CG2-CG1 3.88Å; N194-V197 HydrophobicContact CB-CB 4.3Å; N194-V197 HydrophobicContact CB-CG2 4.18Å; N194-V197 WeakPolarHBondContact ND2-CG2 3.36Å; N194-V197 PolarHBondContact O-N 3.13Å; N194-V197 PolarHBondContact OD1-N 2.74Å; V197-F200 PolarHBondContact O-N 3.11Å; V197-M201 HydrophobicContact CG1-CG 4.42Å; V197-M201 HydrophobicContact CG1-SD 3.95Å; V197-M201 WeakPolarHBondContact O-CB 3.43Å; V197-M201 VanDerWaalsContact O-CG 3.26Å; V197-M201 WeakPolarHBondContact O-CG 3.45Å; V197-M201 PolarHBondContact O-N 3.02Å; V197-V252 HydrophobicContact CG1-CG1 4.33Å; V197-E256 HydrophobicContact CG2-CB 3.57Å; V197-V259 HydrophobicContact CG1-CG1 4.28Å; V197-L260 HydrophobicContact CG2-CD1 4.15Å; V197-L260 HydrophobicContact CG2-CD2 4.36Å; V197-L260 HydrophobicContact CG2-CG 4.17Å |
| 198 | Q | 97.4 | Very high | 96.4 | Very high | 5 Ų | 5 | 51.3 Ų | 51.3 | 2% | 0.023 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.3 | -49 | 178.4 | -168.1 | -92.8 | 25.3 | 0 | 0 | 111.3 | M187 I190 E191 N194 P195 E196 F200 M201 Q202 | M187-Q198 HydrophobicContact CE-CG 3.82Å; I190-Q198 HydrophobicContact CG2-CB 4.03Å; E191-Q198 HydrophobicContact CB-CB 4.21Å; E191-Q198 HydrophobicContact CB-CG 3.8Å; E191-Q198 HydrophobicContact CG-CG 4.19Å; E191-Q198 PolarHBondContact OE2-NE2 2.68Å; E191-Q198 VanDerWaalsContact OE2-NE2 3.15Å; N194-Q198 PolarHBondContact O-N 3.28Å; P195-Q198 PolarHBondContact O-N 3.12Å; E196-Q198 VanDerWaalsContact C-N 3.3Å; E196-Q198 PolarHBondContact O-N 2.99Å; Q198-F200 VanDerWaalsContact C-N 3.31Å; Q198-F200 PolarHBondContact O-N 3.34Å; Q198-M201 PolarHBondContact O-N 3.33Å; Q198-Q202 WeakPolarHBondContact O-CG 3.39Å; Q198-Q202 PolarHBondContact O-N 3.46Å |
| 199 | D | 97.7 | Very high | 96.2 | Very high | 82 Ų | 82 | 55.4 Ų | 55.4 | 44% | 0.439 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 179.2 | -78.7 | -25.2 | 0 | 0 | 0 | 110.5 | P195 E196 Q202 Q203 | P195-D199 WeakPolarHBondContact O-CB 3.44Å; P195-D199 PolarHBondContact O-N 2.92Å; E196-D199 PolarHBondContact O-N 3.23Å; D199-Q202 PolarHBondContact O-N 3.45Å; D199-Q203 WeakPolarHBondContact O-CB 3.35Å; D199-Q203 VanDerWaalsContact O-CG 3.25Å; D199-Q203 WeakPolarHBondContact O-CG 3.49Å; D199-Q203 PolarHBondContact O-N 2.9Å |
| 200 | F | 98.1 | Very high | 96.1 | Very high | 27 Ų | 27 | 55.6 Ų | 55.6 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 176.2 | -178 | -87.9 | 0 | 0 | 0 | 111.8 | E196 V197 Q198 Q202 Q203 A204 V259 L260 C262 C264 V269 | E196-F200 WeakPolarHBondContact O-CB 3.21Å; E196-F200 PolarHBondContact O-N 3.25Å; V197-F200 PolarHBondContact O-N 3.11Å; Q198-F200 VanDerWaalsContact C-N 3.31Å; Q198-F200 PolarHBondContact O-N 3.34Å; F200-Q202 VanDerWaalsContact C-N 3.29Å; F200-Q202 PolarHBondContact O-N 3.02Å; F200-Q203 PolarHBondContact O-N 3.46Å; F200-A204 WeakPolarHBondContact O-CB 3.44Å; F200-A204 PolarHBondContact O-N 3.44Å; F200-V259 HydrophobicContact CD1-CG1 3.86Å; F200-V259 HydrophobicContact CE1-CG1 4.13Å; F200-V259 WeakPolarHBondContact CE1-O 3.39Å; F200-V259 VanDerWaalsContact CZ-O 3.31Å; F200-V259 WeakPolarHBondContact CZ-O 3.5Å; F200-L260 HydrophobicContact CB-CD2 3.73Å; F200-L260 HydrophobicContact CD2-CD2 4.2Å; F200-L260 HydrophobicContact CG-CD2 3.94Å; F200-C262 HydrophobicContact CZ-CB 4.49Å; F200-C262 WeakPolarHBondContact CZ-O 3.5Å; F200-C264 HydrophobicContact CD2-CB 4.43Å; F200-C264 HydrophobicContact CE2-CB 3.62Å; F200-C264 HydrophobicContact CZ-CB 3.74Å; F200-V269 HydrophobicContact CE1-CG2 3.76Å; F200-V269 HydrophobicContact CZ-CG2 4.47Å |
| 201 | M | 97.1 | Very high | 96 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64 | -34.6 | 177.7 | -73.4 | 178.3 | 68.4 | 0 | 0 | 112.5 | M187 I190 V197 Q198 E205 V206 F210 V252 V259 L273 | M187-M201 HydrophobicContact CE-CB 3.96Å; M187-M201 HydrophobicContact SD-CE 4.04Å; I190-M201 HydrophobicContact CD1-CE 4.34Å; I190-M201 HydrophobicContact CD1-SD 4.07Å; V197-M201 HydrophobicContact CG1-CG 4.42Å; V197-M201 HydrophobicContact CG1-SD 3.95Å; V197-M201 WeakPolarHBondContact O-CB 3.43Å; V197-M201 VanDerWaalsContact O-CG 3.26Å; V197-M201 WeakPolarHBondContact O-CG 3.45Å; V197-M201 PolarHBondContact O-N 3.02Å; Q198-M201 PolarHBondContact O-N 3.33Å; M201-E205 PolarHBondContact O-N 3.03Å; M201-V206 HydrophobicContact CB-CG1 4.01Å; M201-V206 HydrophobicContact CE-CG1 3.9Å; M201-V206 HydrophobicContact CG-CG1 4.29Å; M201-V206 PolarHBondContact O-N 3.49Å; M201-F210 HydrophobicContact CE-CE1 3.69Å; M201-F210 HydrophobicContact CE-CZ 3.77Å; M201-V252 HydrophobicContact CE-CG1 4.44Å; M201-V252 HydrophobicContact SD-CG1 3.82Å; M201-V259 HydrophobicContact CG-CG1 4.23Å; M201-L273 HydrophobicContact CE-CD1 3.96Å |
| 202 | Q | 95.7 | Very high | 95.9 | Very high | 109 Ų | 109 | 53.7 Ų | 53.7 | 51% | 0.509 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.2 | -44.9 | 173 | -73.6 | -163.7 | -12.5 | 0 | 0 | 111.7 | M187 Q198 D199 F200 A204 E205 | M187-Q202 HydrophobicContact CE-CG 3.63Å; Q198-Q202 WeakPolarHBondContact O-CG 3.39Å; Q198-Q202 PolarHBondContact O-N 3.46Å; D199-Q202 PolarHBondContact O-N 3.45Å; F200-Q202 VanDerWaalsContact C-N 3.29Å; F200-Q202 PolarHBondContact O-N 3.02Å; Q202-A204 VanDerWaalsContact C-N 3.3Å; Q202-A204 PolarHBondContact O-N 3.34Å; Q202-E205 PolarHBondContact O-N 3.3Å |
| 203 | Q | 96.9 | Very high | 95.8 | Very high | 138 Ų | 138 | 51.4 Ų | 51.4 | 65% | 0.645 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.6 | -36.6 | 177.1 | -73.2 | 171.4 | 41.6 | 0 | 0 | 112.4 | D199 F200 E205 | D199-Q203 WeakPolarHBondContact O-CB 3.35Å; D199-Q203 VanDerWaalsContact O-CG 3.25Å; D199-Q203 WeakPolarHBondContact O-CG 3.49Å; D199-Q203 PolarHBondContact O-N 2.9Å; F200-Q203 PolarHBondContact O-N 3.46Å; Q203-E205 PolarHBondContact O-N 2.74Å |
| 204 | A | 96.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.033 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -8.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F200 Q202 V206 M266 V269 | F200-A204 WeakPolarHBondContact O-CB 3.44Å; F200-A204 PolarHBondContact O-N 3.44Å; Q202-A204 VanDerWaalsContact C-N 3.3Å; Q202-A204 PolarHBondContact O-N 3.34Å; A204-V206 PolarHBondContact O-N 2.92Å; A204-V206 VanDerWaalsContact O-N 3.12Å; A204-M266 WeakPolarHBondContact O-CA 3.35Å; A204-M266 VanDerWaalsContact O-CB 3.28Å; A204-M266 WeakPolarHBondContact O-CB 3.38Å; A204-M266 PolarHBondContact O-N 2.83Å; A204-M266 VanDerWaalsContact O-N 3.13Å; A204-V269 HydrophobicContact CB-CB 4.46Å; A204-V269 HydrophobicContact CB-CG2 3.81Å |
| 205 | E | 95.7 | Very high | 95.6 | Very high | 164 Ų | 164 | 47 Ų | 47 | 77% | 0.766 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 29.3 | -178 | -57 | -175.1 | 172.4 | 0 | 0 | 113.9 | M201 Q202 Q203 G207 | M201-E205 PolarHBondContact O-N 3.03Å; Q202-E205 PolarHBondContact O-N 3.3Å; Q203-E205 PolarHBondContact O-N 2.74Å; E205-G207 VanDerWaalsContact C-N 3.28Å; E205-G207 PolarHBondContact O-N 3.41Å |
| 206 | V | 94.9 | Very high | 95.5 | Very high | 6 Ų | 6 | 44.5 Ų | 44.5 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | trans | -69.1 | -26.7 | -174.6 | 72.5 | 0 | 0 | 0 | 0 | 113.2 | M201 A204 F210 V269 H270 | M201-V206 HydrophobicContact CB-CG1 4.01Å; M201-V206 HydrophobicContact CE-CG1 3.9Å; M201-V206 HydrophobicContact CG-CG1 4.29Å; M201-V206 PolarHBondContact O-N 3.49Å; A204-V206 PolarHBondContact O-N 2.92Å; A204-V206 VanDerWaalsContact O-N 3.12Å; V206-F210 HydrophobicContact CG1-CE1 4.49Å; V206-F210 HydrophobicContact CG2-CD1 4.23Å; V206-V269 HydrophobicContact CB-CB 4.21Å; V206-V269 HydrophobicContact CB-CG1 4.07Å; V206-V269 HydrophobicContact CG1-CG1 4.04Å; V206-V269 HydrophobicContact CG2-CB 4.02Å; V206-V269 HydrophobicContact CG2-CG1 3.91Å; V206-H270 HydrophobicContact CG2-CB 3.9Å | ||
| 207 | G | 92.9 | Very high | 95.4 | Very high | 39 Ų | 39 | 38.6 Ų | 38.6 | 40% | 0.402 | 21% | 0.209 | S | C | . | . | trans | 63.4 | -150 | -174 | 0 | 0 | 0 | 0 | 0 | 112.3 | E205 F210 | E205-G207 VanDerWaalsContact C-N 3.28Å; E205-G207 PolarHBondContact O-N 3.41Å; G207-F210 WeakPolarHBondContact O-CE1 3.39Å | ||
| 208 | T | 93.9 | Very high | 95.3 | Very high | 18 Ų | 18 | 38.8 Ų | 38.8 | 11% | 0.11 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -125.5 | 2.9 | -175 | 56.1 | 0 | 0 | 0 | 0 | 113.7 | L186 M187 F210 A211 | L186-T208 HydrophobicContact CB-CG2 4.09Å; L186-T208 HydrophobicContact CD2-CG2 4.2Å; M187-T208 HydrophobicContact CG-CG2 3.78Å; M187-T208 HydrophobicContact SD-CG2 4.4Å; T208-F210 PolarHBondContact O-N 2.86Å; T208-A211 PolarHBondContact O-N 3.49Å; T208-A211 VanDerWaalsContact O-N 3.14Å |
| 209 | V | 91.2 | Very high | 95.2 | Very high | 96 Ų | 96 | 38.5 Ų | 38.5 | 58% | 0.582 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -65.4 | -27.1 | -173.4 | 177.3 | 0 | 0 | 0 | 0 | 112.3 | A211 L212 | V209-A211 PolarHBondContact O-N 3.39Å; V209-A211 VanDerWaalsContact O-N 3.16Å; V209-L212 WeakPolarHBondContact O-CB 3.36Å; V209-L212 PolarHBondContact O-N 2.86Å |
| 210 | F | 93.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -56.6 | -31.4 | 175.7 | 68.1 | -96.8 | 0 | 0 | 0 | 112.6 | L186 M201 V206 G207 T208 W214 V252 L273 | L186-F210 HydrophobicContact CD2-CE1 4.41Å; L186-F210 HydrophobicContact CD2-CE2 4.19Å; L186-F210 HydrophobicContact CD2-CZ 3.66Å; M201-F210 HydrophobicContact CE-CE1 3.69Å; M201-F210 HydrophobicContact CE-CZ 3.77Å; V206-F210 HydrophobicContact CG1-CE1 4.49Å; V206-F210 HydrophobicContact CG2-CD1 4.23Å; G207-F210 WeakPolarHBondContact O-CE1 3.39Å; T208-F210 PolarHBondContact O-N 2.86Å; F210-W214 AromaticContact CD2-CH2 3.62Å; F210-W214 HydrophobicContact CD2-CH2 3.62Å; F210-W214 AromaticContact CD2-CZ2 3.76Å; F210-W214 HydrophobicContact CD2-CZ2 3.76Å; F210-W214 HydrophobicContact CD2-CZ3 4.25Å; F210-W214 AromaticContact CE2-CH2 3.58Å; F210-W214 HydrophobicContact CE2-CH2 3.58Å; F210-W214 HydrophobicContact CE2-CZ2 4.21Å; F210-W214 AromaticContact CE2-CZ3 3.92Å; F210-W214 HydrophobicContact CE2-CZ3 3.92Å; F210-V252 HydrophobicContact CE2-CG2 3.96Å; F210-V252 HydrophobicContact CZ-CG2 4.1Å; F210-L273 HydrophobicContact CB-CB 4.43Å; F210-L273 HydrophobicContact CD1-CD1 3.99Å; F210-L273 HydrophobicContact CD2-CB 3.66Å; F210-L273 HydrophobicContact CD2-CD1 4.12Å; F210-L273 HydrophobicContact CD2-CG 4.48Å; F210-L273 HydrophobicContact CE1-CD1 3.64Å; F210-L273 HydrophobicContact CE2-CB 4.02Å; F210-L273 HydrophobicContact CE2-CD1 3.81Å; F210-L273 HydrophobicContact CE2-CG 4.4Å; F210-L273 HydrophobicContact CG-CB 3.96Å; F210-L273 HydrophobicContact CG-CD1 4.23Å; F210-L273 HydrophobicContact CZ-CD1 3.56Å |
| 211 | A | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -86.1 | -7.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L183 L186 T208 V209 S213 W214 L215 | L183-A211 HydrophobicContact CD2-CB 3.97Å; L186-A211 HydrophobicContact CD2-CB 3.97Å; T208-A211 PolarHBondContact O-N 3.49Å; T208-A211 VanDerWaalsContact O-N 3.14Å; V209-A211 PolarHBondContact O-N 3.39Å; V209-A211 VanDerWaalsContact O-N 3.16Å; A211-S213 PolarHBondContact O-N 3.04Å; A211-W214 HydrophobicContact CB-CD2 4.21Å; A211-W214 HydrophobicContact CB-CE3 3.86Å; A211-W214 HydrophobicContact CB-CZ3 4.18Å; A211-W214 WeakPolarHBondContact O-CB 3.45Å; A211-W214 PolarHBondContact O-N 3.46Å; A211-W214 VanDerWaalsContact O-N 3.1Å; A211-L215 HydrophobicContact CB-CD1 4.38Å; A211-L215 WeakPolarHBondContact O-CD1 3.46Å; A211-L215 PolarHBondContact O-N 3.44Å |
| 212 | L | 93.5 | Very high | 93.7 | Very high | 47 Ų | 47 | 40.5 Ų | 40.5 | 25% | 0.246 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.9 | -50.1 | -177.6 | 177 | 61.6 | 0 | 0 | 0 | 111.5 | T179 L183 V209 W214 L215 I216 | T179-L212 HydrophobicContact CG2-CD1 3.28Å; L183-L212 HydrophobicContact CD1-CB 3.97Å; L183-L212 HydrophobicContact CD1-CD1 3.93Å; V209-L212 WeakPolarHBondContact O-CB 3.36Å; V209-L212 PolarHBondContact O-N 2.86Å; L212-W214 PolarHBondContact O-N 3.37Å; L212-L215 PolarHBondContact O-N 2.88Å; L212-I216 HydrophobicContact CD1-CG2 3.83Å; L212-I216 HydrophobicContact CG-CD1 4.34Å; L212-I216 WeakPolarHBondContact O-CG1 3.27Å; L212-I216 WeakPolarHBondContact O-CG2 3.03Å; L212-I216 PolarHBondContact O-N 2.92Å; L212-I216 VanDerWaalsContact O-N 3.08Å |
| 213 | S | 93.5 | Very high | 93.2 | Very high | 45 Ų | 45 | 35.7 Ų | 35.7 | 32% | 0.315 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.2 | -32 | -179.5 | 63.8 | 0 | 0 | 0 | 0 | 112 | A211 T217 | A211-S213 PolarHBondContact O-N 3.04Å; S213-T217 WeakPolarHBondContact O-CB 3.48Å; S213-T217 WeakPolarHBondContact O-CG2 3.36Å; S213-T217 PolarHBondContact O-N 2.99Å; S213-T217 PolarHBondContact O-OG1 2.84Å |
| 214 | W | 95.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.4 | -45.6 | 179.7 | -52.1 | -6.3 | 0 | 0 | 0 | 110.9 | F210 A211 L212 W218 F219 A248 I251 V252 L273 I276 | F210-W214 AromaticContact CD2-CH2 3.62Å; F210-W214 HydrophobicContact CD2-CH2 3.62Å; F210-W214 AromaticContact CD2-CZ2 3.76Å; F210-W214 HydrophobicContact CD2-CZ2 3.76Å; F210-W214 HydrophobicContact CD2-CZ3 4.25Å; F210-W214 AromaticContact CE2-CH2 3.58Å; F210-W214 HydrophobicContact CE2-CH2 3.58Å; F210-W214 HydrophobicContact CE2-CZ2 4.21Å; F210-W214 AromaticContact CE2-CZ3 3.92Å; F210-W214 HydrophobicContact CE2-CZ3 3.92Å; A211-W214 HydrophobicContact CB-CD2 4.21Å; A211-W214 HydrophobicContact CB-CE3 3.86Å; A211-W214 HydrophobicContact CB-CZ3 4.18Å; A211-W214 WeakPolarHBondContact O-CB 3.45Å; A211-W214 PolarHBondContact O-N 3.46Å; A211-W214 VanDerWaalsContact O-N 3.1Å; L212-W214 PolarHBondContact O-N 3.37Å; W214-W218 CarbonylContact O-C 3.53Å; W214-W218 WeakPolarHBondContact O-CA 3.48Å; W214-W218 PolarHBondContact O-N 2.9Å; W214-W218 VanDerWaalsContact O-N 3.08Å; W214-F219 HydrophobicContact CB-CD1 3.78Å; W214-F219 HydrophobicContact CB-CE1 3.52Å; W214-F219 HydrophobicContact CB-CE2 4.31Å; W214-F219 HydrophobicContact CB-CG 4.29Å; W214-F219 HydrophobicContact CB-CZ 3.79Å; W214-F219 AromaticContact CD2-CE1 3.97Å; W214-F219 HydrophobicContact CD2-CE1 3.97Å; W214-F219 AromaticContact CE3-CE1 3.78Å; W214-F219 HydrophobicContact CE3-CE1 3.78Å; W214-F219 HydrophobicContact CE3-CZ 4.31Å; W214-F219 HydrophobicContact CG-CD1 4.15Å; W214-F219 AromaticContact CG-CE1 3.9Å; W214-F219 HydrophobicContact CG-CE1 3.9Å; W214-F219 PolarHBondContact O-N 2.89Å; W214-A248 HydrophobicContact CE3-CB 3.8Å; W214-A248 HydrophobicContact CZ3-CB 4.14Å; W214-I251 HydrophobicContact CZ3-CG2 4.47Å; W214-V252 HydrophobicContact CH2-CG2 4.47Å; W214-V252 HydrophobicContact CZ3-CG2 4.36Å; W214-L273 WeakPolarHBondContact CZ2-O 3.45Å; W214-I276 HydrophobicContact CD2-CD1 3.87Å; W214-I276 HydrophobicContact CE3-CD1 4.44Å; W214-I276 HydrophobicContact CG-CD1 4.16Å; W214-I276 HydrophobicContact CZ2-CD1 4.06Å; W214-I276 HydrophobicContact CZ2-CG1 3.92Å |
| 215 | L | 95.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.6 | -49.9 | -178.4 | -90 | 71.6 | 0 | 0 | 0 | 111.6 | F171 I182 L183 A211 L212 T217 W218 P244 I245 A248 | F171-L215 HydrophobicContact CZ-CB 4.18Å; I182-L215 HydrophobicContact CG2-CD2 3.53Å; L183-L215 HydrophobicContact CD2-CD1 4.23Å; L183-L215 HydrophobicContact CD2-CD2 3.95Å; A211-L215 HydrophobicContact CB-CD1 4.38Å; A211-L215 WeakPolarHBondContact O-CD1 3.46Å; A211-L215 PolarHBondContact O-N 3.44Å; L212-L215 PolarHBondContact O-N 2.88Å; L215-T217 PolarHBondContact O-N 3.23Å; L215-W218 VanDerWaalsContact O-CD1 3.32Å; L215-W218 PolarHBondContact O-N 3.16Å; L215-P244 HydrophobicContact CG-CB 4.46Å; L215-I245 HydrophobicContact CD1-CD1 3.96Å; L215-I245 HydrophobicContact CD2-CB 4.31Å; L215-I245 HydrophobicContact CD2-CD1 3.9Å; L215-A248 HydrophobicContact CD1-CB 4.13Å |
| 216 | I | 94.6 | Very high | 91.9 | Very high | 19 Ų | 19 | 31.4 Ų | 31.4 | 10% | 0.097 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73 | -15.8 | -172.3 | 71.2 | -178.4 | 0 | 0 | 0 | 113.2 | Y137 I143 F171 T179 L212 | Y137-I216 HydrophobicContact CD2-CB 4.13Å; Y137-I216 HydrophobicContact CD2-CD1 4.29Å; Y137-I216 HydrophobicContact CD2-CG1 4.49Å; Y137-I216 HydrophobicContact CE2-CB 3.6Å; Y137-I216 HydrophobicContact CE2-CD1 4.46Å; Y137-I216 HydrophobicContact CE2-CG1 4.17Å; Y137-I216 VanDerWaalsContact CE2-O 3.24Å; Y137-I216 WeakPolarHBondContact CE2-O 3.46Å; Y137-I216 PolarHBondContact OH-O 3.48Å; I143-I216 WeakPolarHBondContact CD1-O 3.5Å; F171-I216 HydrophobicContact CD1-CG2 4.12Å; F171-I216 HydrophobicContact CE1-CG2 4.46Å; F171-I216 HydrophobicContact CG-CG2 4.19Å; T179-I216 HydrophobicContact CG2-CG2 3.93Å; L212-I216 HydrophobicContact CD1-CG2 3.83Å; L212-I216 HydrophobicContact CG-CD1 4.34Å; L212-I216 WeakPolarHBondContact O-CG1 3.27Å; L212-I216 WeakPolarHBondContact O-CG2 3.03Å; L212-I216 PolarHBondContact O-N 2.92Å; L212-I216 VanDerWaalsContact O-N 3.08Å |
| 217 | T | 95.6 | Very high | 91.7 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 5 | 176.6 | 70.9 | 0 | 0 | 0 | 0 | 113.3 | D142 S213 L215 F219 G220 H221 | D142-T217 HydrophobicContact CB-CG2 4.1Å; S213-T217 WeakPolarHBondContact O-CB 3.48Å; S213-T217 WeakPolarHBondContact O-CG2 3.36Å; S213-T217 PolarHBondContact O-N 2.99Å; S213-T217 PolarHBondContact O-OG1 2.84Å; L215-T217 PolarHBondContact O-N 3.23Å; T217-F219 PolarHBondContact O-N 3.04Å; T217-G220 PolarHBondContact O-N 2.82Å; T217-H221 HydrophobicContact CG2-CB 3.88Å; T217-H221 WeakPolarHBondContact OG1-CB 3.34Å; T217-H221 PolarHBondContact OG1-N 3.34Å |
| 218 | W | 96.4 | Very high | 91.7 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.015 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.6 | 48.1 | -170.6 | -79.4 | 4.4 | 0 | 0 | 0 | 112.3 | I143 L163 H167 L168 W214 L215 G220 Y233 F236 L237 | I143-W218 HydrophobicContact CD1-CB 4.46Å; I143-W218 HydrophobicContact CD1-CD2 4.48Å; I143-W218 HydrophobicContact CD1-CG 4.14Å; I143-W218 HydrophobicContact CG1-CB 4.48Å; L163-W218 HydrophobicContact CD1-CH2 3.49Å; L163-W218 VanDerWaalsContact CD1-CH2 3.49Å; L163-W218 HydrophobicContact CD1-CZ2 3.96Å; L163-W218 HydrophobicContact CD1-CZ3 4.33Å; L163-W218 HydrophobicContact CD2-CH2 3.92Å; L163-W218 HydrophobicContact CD2-CZ2 4.39Å; L163-W218 HydrophobicContact CD2-CZ3 4.08Å; L163-W218 HydrophobicContact CG-CH2 4.26Å; H167-W218 HydrophobicContact CB-CZ2 4.16Å; L168-W218 HydrophobicContact CD2-CZ2 4.36Å; W214-W218 CarbonylContact O-C 3.53Å; W214-W218 WeakPolarHBondContact O-CA 3.48Å; W214-W218 PolarHBondContact O-N 2.9Å; W214-W218 VanDerWaalsContact O-N 3.08Å; L215-W218 VanDerWaalsContact O-CD1 3.32Å; L215-W218 PolarHBondContact O-N 3.16Å; W218-G220 PolarHBondContact O-N 3.15Å; W218-Y233 HydrophobicContact CB-CE2 3.7Å; W218-Y233 AromaticContact CE3-CD1 3.82Å; W218-Y233 HydrophobicContact CE3-CD1 3.82Å; W218-Y233 AromaticContact CE3-CD2 4Å; W218-Y233 HydrophobicContact CE3-CD2 4Å; W218-Y233 AromaticContact CE3-CE1 3.73Å; W218-Y233 HydrophobicContact CE3-CE1 3.73Å; W218-Y233 AromaticContact CE3-CE2 3.92Å; W218-Y233 HydrophobicContact CE3-CE2 3.92Å; W218-Y233 AromaticContact CE3-CG 3.96Å; W218-Y233 HydrophobicContact CE3-CG 3.96Å; W218-Y233 AromaticContact CE3-CZ 3.77Å; W218-Y233 HydrophobicContact CZ3-CD1 4.01Å; W218-Y233 HydrophobicContact CZ3-CE1 4.25Å; W218-Y233 HydrophobicContact CZ3-CG 4.26Å; W218-F236 HydrophobicContact CB-CD2 4.17Å; W218-F236 HydrophobicContact CB-CE2 4.17Å; W218-F236 HydrophobicContact CD2-CB 4.44Å; W218-F236 AromaticContact CD2-CD2 3.81Å; W218-F236 HydrophobicContact CD2-CD2 3.81Å; W218-F236 HydrophobicContact CE3-CB 4.3Å; W218-F236 AromaticContact CE3-CD2 4Å; W218-F236 HydrophobicContact CE3-CD2 4Å; W218-F236 AromaticContact CG-CD2 3.92Å; W218-F236 HydrophobicContact CG-CD2 3.92Å; W218-F236 HydrophobicContact CG-CE2 4.27Å; W218-F236 HydrophobicContact CH2-CB 3.92Å; W218-F236 HydrophobicContact CZ2-CB 4.09Å; W218-F236 HydrophobicContact CZ3-CB 4.06Å; W218-L237 HydrophobicContact CH2-CD2 3.88Å; W218-L237 HydrophobicContact CH2-CG 4.32Å; W218-L237 HydrophobicContact CZ3-CD2 4.06Å; W218-L237 HydrophobicContact CZ3-CG 4.2Å |
| 219 | F | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | -2.3 | -178.7 | -59.6 | -99.3 | 0 | 0 | 0 | 115.2 | W214 T217 H221 V222 L223 L232 F236 P244 F247 A248 I251 I276 | W214-F219 HydrophobicContact CB-CD1 3.78Å; W214-F219 HydrophobicContact CB-CE1 3.52Å; W214-F219 HydrophobicContact CB-CE2 4.31Å; W214-F219 HydrophobicContact CB-CG 4.29Å; W214-F219 HydrophobicContact CB-CZ 3.79Å; W214-F219 AromaticContact CD2-CE1 3.97Å; W214-F219 HydrophobicContact CD2-CE1 3.97Å; W214-F219 AromaticContact CE3-CE1 3.78Å; W214-F219 HydrophobicContact CE3-CE1 3.78Å; W214-F219 HydrophobicContact CE3-CZ 4.31Å; W214-F219 HydrophobicContact CG-CD1 4.15Å; W214-F219 AromaticContact CG-CE1 3.9Å; W214-F219 HydrophobicContact CG-CE1 3.9Å; W214-F219 PolarHBondContact O-N 2.89Å; T217-F219 PolarHBondContact O-N 3.04Å; F219-H221 PolarHBondContact O-N 3.16Å; F219-V222 PolarHBondContact O-N 3.47Å; F219-V222 VanDerWaalsContact O-N 3.09Å; F219-L223 HydrophobicContact CB-CD1 3.76Å; F219-L223 HydrophobicContact CB-CG 4.02Å; F219-L223 WeakPolarHBondContact O-CG 3.45Å; F219-L223 PolarHBondContact O-N 3.01Å; F219-L232 HydrophobicContact CB-CD1 4.16Å; F219-L232 HydrophobicContact CG-CD1 4.44Å; F219-F236 AromaticContact CD2-CE2 4Å; F219-F236 HydrophobicContact CD2-CE2 4Å; F219-F236 AromaticContact CD2-CZ 3.91Å; F219-F236 HydrophobicContact CD2-CZ 3.91Å; F219-F236 HydrophobicContact CE2-CE2 4.38Å; F219-F236 AromaticContact CE2-CZ 3.92Å; F219-F236 HydrophobicContact CE2-CZ 3.92Å; F219-P244 HydrophobicContact CE2-CB 4.4Å; F219-F247 HydrophobicContact CD1-CD1 4.34Å; F219-F247 HydrophobicContact CD1-CE1 4.34Å; F219-F247 HydrophobicContact CD2-CD1 4.08Å; F219-F247 AromaticContact CE1-CD1 3.9Å; F219-F247 HydrophobicContact CE1-CD1 3.9Å; F219-F247 HydrophobicContact CE1-CE1 4.25Å; F219-F247 AromaticContact CE2-CD1 3.66Å; F219-F247 HydrophobicContact CE2-CD1 3.66Å; F219-F247 HydrophobicContact CE2-CE1 4.47Å; F219-F247 HydrophobicContact CG-CD1 4.43Å; F219-F247 HydrophobicContact CG-CE1 4.49Å; F219-F247 HydrophobicContact CZ-CB 4.48Å; F219-F247 AromaticContact CZ-CD1 3.57Å; F219-F247 HydrophobicContact CZ-CD1 3.57Å; F219-F247 HydrophobicContact CZ-CE1 4.34Å; F219-F247 HydrophobicContact CZ-CG 4.49Å; F219-A248 HydrophobicContact CZ-CB 4.07Å; F219-I251 HydrophobicContact CD1-CD1 4.1Å; F219-I251 HydrophobicContact CE1-CD1 3.56Å; F219-I251 HydrophobicContact CZ-CD1 4.37Å; F219-I276 HydrophobicContact CD1-CD1 4.02Å; F219-I276 HydrophobicContact CE1-CD1 4.34Å |
| 220 | G | 90.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -33.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R103 T217 W218 V222 | R103-G220 VanDerWaalsContact CZ-C 3.41Å; R103-G220 PolarHBondContact NE-O 3.49Å; R103-G220 PolarHBondContact NH1-O 3.05Å; R103-G220 PolarHBondContact NH2-O 3Å; T217-G220 PolarHBondContact O-N 2.82Å; W218-G220 PolarHBondContact O-N 3.15Å; G220-V222 VanDerWaalsContact C-N 3.3Å; G220-V222 PolarHBondContact O-N 3.29Å |
| 221 | H | 86.1 | Confident | 92.1 | Very high | 122 Ų | 122 | 37.1 Ų | 37.1 | 57% | 0.565 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -28.2 | 179.4 | -169.2 | 82.5 | 0 | 0 | 0 | 113.3 | D142 T217 F219 | D142-H221 IonicContact OD2-CG 2.74Å; D142-H221 IonicContact OD2-ND1 3.19Å; D142-H221 PolarHBondContact OD2-ND1 3.35Å; D142-H221 VanDerWaalsContact OD2-ND1 3.11Å; T217-H221 HydrophobicContact CG2-CB 3.88Å; T217-H221 WeakPolarHBondContact OG1-CB 3.34Å; T217-H221 PolarHBondContact OG1-N 3.34Å; F219-H221 PolarHBondContact O-N 3.16Å |
| 222 | V | 85.2 | Confident | 92.2 | Very high | 29 Ų | 29 | 37.2 Ų | 37.2 | 18% | 0.176 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | -29.8 | -170.1 | -169.1 | 0 | 0 | 0 | 0 | 112.2 | F219 G220 I276 Q278 | F219-V222 PolarHBondContact O-N 3.47Å; F219-V222 VanDerWaalsContact O-N 3.09Å; G220-V222 VanDerWaalsContact C-N 3.3Å; G220-V222 PolarHBondContact O-N 3.29Å; V222-I276 HydrophobicContact CB-CD1 4.09Å; V222-I276 HydrophobicContact CG1-CB 3.73Å; V222-I276 HydrophobicContact CG1-CD1 3.63Å; V222-I276 HydrophobicContact CG1-CG1 3.64Å; V222-Q278 PolarHBondContact O-NE2 3.09Å |
| 223 | L | 86 | Confident | 92.4 | Very high | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | trans | -85.6 | 126.2 | 178.6 | -58.9 | -179.2 | 0 | 0 | 0 | 110.7 | F219 V229 L232 I276 Y282 | F219-L223 HydrophobicContact CB-CD1 3.76Å; F219-L223 HydrophobicContact CB-CG 4.02Å; F219-L223 WeakPolarHBondContact O-CG 3.45Å; F219-L223 PolarHBondContact O-N 3.01Å; L223-V229 HydrophobicContact CB-CG2 3.7Å; L223-V229 HydrophobicContact CD1-CG2 4.21Å; L223-L232 HydrophobicContact CD1-CD1 3.51Å; L223-I276 HydrophobicContact CD2-CG2 4.29Å; L223-Y282 HydrophobicContact CD1-CE1 4.18Å; L223-Y282 HydrophobicContact CD2-CE1 3.89Å; L223-Y282 WeakPolarHBondContact CD2-OH 3.46Å | ||
| 224 | S | 82.3 | Confident | 92.6 | Very high | 96 Ų | 96 | 32.8 Ų | 32.8 | 67% | 0.671 | 16% | 0.158 | S | C | * | . | trans | -79.8 | -33.6 | -179.3 | 61.6 | 0 | 0 | 0 | 0 | 113.8 | F226 Q278 | S224-F226 PolarHBondContact O-N 2.87Å; S224-Q278 VanDerWaalsContact CB-OE1 3.25Å; S224-Q278 PolarHBondContact OG-OE1 3.39Å | ||
| 225 | D | 88.3 | Confident | 92.7 | Very high | 63 Ų | 63 | 32.9 Ų | 32.9 | 34% | 0.337 | 16% | 0.159 | S | C | . | . | trans | -85 | 110.9 | 179.2 | -169.8 | -16.9 | 0 | 0 | 0 | 110.8 | R227 H228 V229 | D225-R227 PolarHBondContact O-N 3.02Å; D225-R227 VanDerWaalsContact O-N 3.15Å; D225-R227 VanDerWaalsContact OD1-CB 3.29Å; D225-R227 WeakPolarHBondContact OD1-CB 3.46Å; D225-R227 PolarHBondContact OD1-N 3.09Å; D225-H228 WeakPolarHBondContact CB-ND1 3.5Å; D225-H228 PolarHBondContact O-N 3.18Å; D225-H228 VanDerWaalsContact O-N 3.1Å; D225-H228 IonicContact OD2-CE1 3.58Å; D225-H228 IonicContact OD2-ND1 3.64Å; D225-V229 PolarHBondContact O-N 2.95Å | ||
| 226 | F | 89.9 | Confident | 92.8 | Very high | 57 Ų | 57 | 32.9 Ų | 32.9 | 25% | 0.25 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -54.9 | -31.3 | 176.8 | -172 | -109.8 | 0 | 0 | 0 | 112.9 | T146 L149 V150 S224 H228 V229 V230 | T146-F226 HydrophobicContact CG2-CE2 4.03Å; T146-F226 HydrophobicContact CG2-CZ 4.31Å; L149-F226 HydrophobicContact CB-CE1 4.46Å; L149-F226 HydrophobicContact CB-CE2 4.42Å; L149-F226 HydrophobicContact CB-CZ 3.75Å; L149-F226 HydrophobicContact CD1-CE2 3.89Å; L149-F226 HydrophobicContact CD1-CZ 3.98Å; V150-F226 HydrophobicContact CG2-CE1 4.28Å; V150-F226 HydrophobicContact CG2-CZ 4.01Å; S224-F226 PolarHBondContact O-N 2.87Å; F226-H228 PolarHBondContact O-N 3.02Å; F226-V229 PolarHBondContact O-N 2.85Å; F226-V230 HydrophobicContact CD1-CG2 3.9Å; F226-V230 HydrophobicContact CD2-CG2 4.36Å; F226-V230 HydrophobicContact CE1-CG2 3.46Å; F226-V230 VanDerWaalsContact CE1-CG2 3.46Å; F226-V230 HydrophobicContact CE2-CG2 3.97Å; F226-V230 HydrophobicContact CG-CG2 4.33Å; F226-V230 HydrophobicContact CZ-CG2 3.5Å; F226-V230 VanDerWaalsContact CZ-CG2 3.5Å; F226-V230 WeakPolarHBondContact O-CG2 3.31Å; F226-V230 PolarHBondContact O-N 2.97Å |
| 227 | R | 91.1 | Very high | 93 | Very high | 203 Ų | 203 | 32.1 Ų | 32.1 | 77% | 0.766 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -65.9 | -40.1 | 179.1 | -64.3 | 178.4 | 167 | 177.1 | -1.4 | 112.1 | D225 R231 | D225-R227 PolarHBondContact O-N 3.02Å; D225-R227 VanDerWaalsContact O-N 3.15Å; D225-R227 VanDerWaalsContact OD1-CB 3.29Å; D225-R227 WeakPolarHBondContact OD1-CB 3.46Å; D225-R227 PolarHBondContact OD1-N 3.09Å; R227-R231 VanDerWaalsContact O-CB 3.31Å; R227-R231 WeakPolarHBondContact O-CB 3.39Å; R227-R231 PolarHBondContact O-N 3.23Å |
| 228 | H | 92.3 | Very high | 93 | Very high | 65 Ų | 65 | 32.3 Ų | 32.3 | 30% | 0.301 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -68 | -39.3 | 175.9 | -62 | 141.2 | 0 | 0 | 0 | 111 | D225 F226 R231 L232 Y282 | D225-H228 WeakPolarHBondContact CB-ND1 3.5Å; D225-H228 PolarHBondContact O-N 3.18Å; D225-H228 VanDerWaalsContact O-N 3.1Å; D225-H228 IonicContact OD2-CE1 3.58Å; D225-H228 IonicContact OD2-ND1 3.64Å; F226-H228 PolarHBondContact O-N 3.02Å; H228-R231 WeakPolarHBondContact O-CB 3.37Å; H228-R231 PolarHBondContact O-N 3.46Å; H228-L232 WeakPolarHBondContact O-CG 3.48Å; H228-L232 PolarHBondContact O-N 3.36Å; H228-Y282 HydrophobicContact CB-CD2 4.19Å; H228-Y282 HydrophobicContact CB-CE2 4.12Å; H228-Y282 HydrophobicContact CB-CG 4.48Å; H228-Y282 AromaticContact CD2-CD2 3.64Å; H228-Y282 AromaticContact CD2-CE2 4Å; H228-Y282 AromaticContact CE1-CD2 3.9Å; H228-Y282 AromaticContact CE1-CE2 3.63Å; H228-Y282 AromaticContact CG-CD2 3.62Å; H228-Y282 AromaticContact CG-CE2 3.56Å; H228-Y282 AromaticContact ND1-CD2 3.76Å; H228-Y282 AromaticContact ND1-CE2 3.29Å; H228-Y282 VanDerWaalsContact ND1-CE2 3.29Å; H228-Y282 WeakPolarHBondContact ND1-CE2 3.37Å; H228-Y282 AromaticContact NE2-CD2 3.83Å |
| 229 | V | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.4 | -54.2 | 174.4 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | T146 L223 D225 F226 R231 L232 Y233 | T146-V229 HydrophobicContact CG2-CG1 4.13Å; L223-V229 HydrophobicContact CB-CG2 3.7Å; L223-V229 HydrophobicContact CD1-CG2 4.21Å; D225-V229 PolarHBondContact O-N 2.95Å; F226-V229 PolarHBondContact O-N 2.85Å; V229-R231 VanDerWaalsContact C-N 3.26Å; V229-R231 PolarHBondContact O-N 2.85Å; V229-L232 WeakPolarHBondContact O-CA 3.43Å; V229-L232 WeakPolarHBondContact O-CB 3.32Å; V229-L232 PolarHBondContact O-N 2.98Å; V229-Y233 HydrophobicContact CG1-CD2 4Å; V229-Y233 HydrophobicContact CG1-CE2 3.59Å; V229-Y233 WeakPolarHBondContact O-CD2 3.16Å; V229-Y233 PolarHBondContact O-N 3.23Å |
| 230 | V | 96.5 | Very high | 92.8 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.3 | -33.2 | -177.9 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | R60 W64 T146 V150 F226 L232 Y233 D234 | R60-V230 VanDerWaalsContact CD-CG1 3.48Å; W64-V230 HydrophobicContact CH2-CG1 4.28Å; W64-V230 HydrophobicContact CZ2-CG1 4Å; T146-V230 HydrophobicContact CG2-CG2 4.09Å; V150-V230 HydrophobicContact CG2-CG1 3.93Å; V150-V230 HydrophobicContact CG2-CG2 3.74Å; F226-V230 HydrophobicContact CD1-CG2 3.9Å; F226-V230 HydrophobicContact CD2-CG2 4.36Å; F226-V230 HydrophobicContact CE1-CG2 3.46Å; F226-V230 VanDerWaalsContact CE1-CG2 3.46Å; F226-V230 HydrophobicContact CE2-CG2 3.97Å; F226-V230 HydrophobicContact CG-CG2 4.33Å; F226-V230 HydrophobicContact CZ-CG2 3.5Å; F226-V230 VanDerWaalsContact CZ-CG2 3.5Å; F226-V230 WeakPolarHBondContact O-CG2 3.31Å; F226-V230 PolarHBondContact O-N 2.97Å; V230-L232 VanDerWaalsContact C-N 3.33Å; V230-L232 PolarHBondContact O-N 3.45Å; V230-Y233 WeakPolarHBondContact O-CB 3.49Å; V230-Y233 PolarHBondContact O-N 2.76Å; V230-Y233 VanDerWaalsContact O-N 3.16Å; V230-D234 PolarHBondContact O-N 3.25Å |
| 231 | R | 96.6 | Very high | 92.9 | Very high | 13 Ų | 13 | 34.8 Ų | 34.8 | 5% | 0.049 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.2 | -38 | 172.1 | 171.2 | 60.2 | -172.7 | 108 | -5.1 | 112.7 | A48 I49 S50 R227 H228 V229 Y233 D234 F235 E283 I286 | A48-R231 PolarHBondContact O-NH1 3.31Å; I49-R231 PolarHBondContact O-NH2 2.96Å; S50-R231 PolarHBondContact O-NH2 3.44Å; R227-R231 VanDerWaalsContact O-CB 3.31Å; R227-R231 WeakPolarHBondContact O-CB 3.39Å; R227-R231 PolarHBondContact O-N 3.23Å; H228-R231 WeakPolarHBondContact O-CB 3.37Å; H228-R231 PolarHBondContact O-N 3.46Å; V229-R231 VanDerWaalsContact C-N 3.26Å; V229-R231 PolarHBondContact O-N 2.85Å; R231-Y233 VanDerWaalsContact C-N 3.34Å; R231-D234 WeakPolarHBondContact O-CB 3.35Å; R231-D234 PolarHBondContact O-N 2.79Å; R231-F235 PolarHBondContact O-N 2.94Å; R231-E283 IonicContact CZ-OE1 2.73Å; R231-E283 IonicContact CZ-OE2 2.67Å; R231-E283 IonicContact NE-OE1 3.73Å; R231-E283 PolarHBondContact NE-OE1 2.99Å; R231-E283 IonicContact NE-OE2 3.59Å; R231-E283 PolarHBondContact NE-OE2 3.31Å; R231-E283 IonicContact NH2-OE1 3.95Å; R231-E283 IonicContact NH2-OE2 3.71Å; R231-E283 PolarHBondContact NH2-OE2 3.45Å; R231-I286 HydrophobicContact CG-CD1 4.11Å |
| 232 | L | 97.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.7 | -33.6 | 173 | -70.6 | 174.3 | 0 | 0 | 0 | 111.9 | F219 L223 H228 V229 V230 F235 F236 F247 I286 | F219-L232 HydrophobicContact CB-CD1 4.16Å; F219-L232 HydrophobicContact CG-CD1 4.44Å; L223-L232 HydrophobicContact CD1-CD1 3.51Å; H228-L232 WeakPolarHBondContact O-CG 3.48Å; H228-L232 PolarHBondContact O-N 3.36Å; V229-L232 WeakPolarHBondContact O-CA 3.43Å; V229-L232 WeakPolarHBondContact O-CB 3.32Å; V229-L232 PolarHBondContact O-N 2.98Å; V230-L232 VanDerWaalsContact C-N 3.33Å; V230-L232 PolarHBondContact O-N 3.45Å; L232-F235 CarbonylContact O-C 3.56Å; L232-F235 WeakPolarHBondContact O-CB 3.49Å; L232-F235 PolarHBondContact O-N 2.98Å; L232-F235 VanDerWaalsContact O-N 3.12Å; L232-F236 HydrophobicContact CB-CD2 4.35Å; L232-F236 HydrophobicContact CB-CE2 3.87Å; L232-F236 HydrophobicContact CB-CZ 4.19Å; L232-F236 HydrophobicContact CD2-CZ 4.28Å; L232-F236 WeakPolarHBondContact O-CD2 3.5Å; L232-F236 VanDerWaalsContact O-CG 3.3Å; L232-F236 WeakPolarHBondContact O-CG 3.15Å; L232-F236 PolarHBondContact O-N 3.46Å; L232-F247 HydrophobicContact CD1-CD1 4.43Å; L232-F247 HydrophobicContact CD1-CE1 3.7Å; L232-F247 HydrophobicContact CD1-CZ 4.14Å; L232-F247 HydrophobicContact CD2-CD1 4.18Å; L232-F247 HydrophobicContact CD2-CD2 4.27Å; L232-F247 HydrophobicContact CD2-CE1 3.67Å; L232-F247 HydrophobicContact CD2-CE2 3.78Å; L232-F247 HydrophobicContact CD2-CG 4.46Å; L232-F247 HydrophobicContact CD2-CZ 3.47Å; L232-F247 VanDerWaalsContact CD2-CZ 3.47Å; L232-F247 HydrophobicContact CG-CE1 4.37Å; L232-F247 HydrophobicContact CG-CZ 4.43Å; L232-I286 HydrophobicContact CD2-CD1 3.85Å; L232-I286 HydrophobicContact CD2-CG1 3.81Å |
| 233 | Y | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.9 | -41.6 | 175.6 | -81.2 | -131 | 0 | 0 | 0 | 110.9 | W64 I143 T146 F147 W218 V229 V230 R231 F235 F236 L237 | W64-Y233 HydrophobicContact CH2-CD1 4.3Å; I143-Y233 VanDerWaalsContact CA-OH 3.31Å; I143-Y233 WeakPolarHBondContact CA-OH 3.41Å; I143-Y233 HydrophobicContact CG2-CE1 4.12Å; T146-Y233 HydrophobicContact CG2-CD1 3.84Å; T146-Y233 HydrophobicContact CG2-CD2 4.34Å; T146-Y233 HydrophobicContact CG2-CE1 3.57Å; T146-Y233 HydrophobicContact CG2-CE2 4.11Å; T146-Y233 HydrophobicContact CG2-CG 4.22Å; F147-Y233 HydrophobicContact CD2-CD1 4.31Å; F147-Y233 AromaticContact CD2-CE1 3.96Å; F147-Y233 HydrophobicContact CD2-CE1 3.96Å; F147-Y233 AromaticContact CE2-CD1 3.74Å; F147-Y233 HydrophobicContact CE2-CD1 3.74Å; F147-Y233 AromaticContact CE2-CE1 3.6Å; F147-Y233 HydrophobicContact CE2-CE1 3.6Å; F147-Y233 HydrophobicContact CZ-CD1 4.13Å; F147-Y233 HydrophobicContact CZ-CE1 4.43Å; W218-Y233 HydrophobicContact CB-CE2 3.7Å; W218-Y233 AromaticContact CE3-CD1 3.82Å; W218-Y233 HydrophobicContact CE3-CD1 3.82Å; W218-Y233 AromaticContact CE3-CD2 4Å; W218-Y233 HydrophobicContact CE3-CD2 4Å; W218-Y233 AromaticContact CE3-CE1 3.73Å; W218-Y233 HydrophobicContact CE3-CE1 3.73Å; W218-Y233 AromaticContact CE3-CE2 3.92Å; W218-Y233 HydrophobicContact CE3-CE2 3.92Å; W218-Y233 AromaticContact CE3-CG 3.96Å; W218-Y233 HydrophobicContact CE3-CG 3.96Å; W218-Y233 AromaticContact CE3-CZ 3.77Å; W218-Y233 HydrophobicContact CZ3-CD1 4.01Å; W218-Y233 HydrophobicContact CZ3-CE1 4.25Å; W218-Y233 HydrophobicContact CZ3-CG 4.26Å; V229-Y233 HydrophobicContact CG1-CD2 4Å; V229-Y233 HydrophobicContact CG1-CE2 3.59Å; V229-Y233 WeakPolarHBondContact O-CD2 3.16Å; V229-Y233 PolarHBondContact O-N 3.23Å; V230-Y233 WeakPolarHBondContact O-CB 3.49Å; V230-Y233 PolarHBondContact O-N 2.76Å; V230-Y233 VanDerWaalsContact O-N 3.16Å; R231-Y233 VanDerWaalsContact C-N 3.34Å; Y233-F235 PolarHBondContact O-N 3.49Å; Y233-F236 PolarHBondContact O-N 3.41Å; Y233-L237 VanDerWaalsContact O-CB 3.29Å; Y233-L237 WeakPolarHBondContact O-CB 3.25Å; Y233-L237 WeakPolarHBondContact O-CD1 3.25Å; Y233-L237 WeakPolarHBondContact O-CG 3.27Å; Y233-L237 PolarHBondContact O-N 2.99Å |
| 234 | D | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -53.5 | -43.8 | 171.8 | -63 | -25.3 | 0 | 0 | 0 | 110.8 | A48 L54 R60 W64 V230 R231 A238 | A48-D234 HydrophobicContact CB-CB 4.38Å; A48-D234 WeakPolarHBondContact CB-O 3.37Å; L54-D234 HydrophobicContact CD1-CB 4.48Å; L54-D234 HydrophobicContact CG-CB 4.25Å; L54-D234 PolarHBondContact N-OD2 3.42Å; R60-D234 IonicContact CZ-OD2 2.79Å; R60-D234 IonicContact NE-OD1 3.49Å; R60-D234 PolarHBondContact NE-OD1 3.08Å; R60-D234 IonicContact NE-OD2 3.11Å; R60-D234 PolarHBondContact NE-OD2 2.98Å; R60-D234 IonicContact NH2-OD2 3.93Å; R60-D234 PolarHBondContact NH2-OD2 3.47Å; W64-D234 PolarHBondContact NE1-OD1 3.24Å; V230-D234 PolarHBondContact O-N 3.25Å; R231-D234 WeakPolarHBondContact O-CB 3.35Å; R231-D234 PolarHBondContact O-N 2.79Å; D234-A238 WeakPolarHBondContact O-CB 3.03Å; D234-A238 PolarHBondContact O-N 3.44Å |
| 235 | F | 98 | Very high | 95.1 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 1% | 0.013 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -69.4 | -50 | 179.3 | 177.4 | -125 | 0 | 0 | 0 | 113 | I49 R231 L232 Y233 L237 A238 C239 M243 I286 A289 | I49-F235 HydrophobicContact CG1-CD2 4.16Å; I49-F235 HydrophobicContact CG1-CE2 4.48Å; I49-F235 HydrophobicContact CG2-CD2 4.35Å; I49-F235 HydrophobicContact CG2-CE2 4.27Å; R231-F235 PolarHBondContact O-N 2.94Å; L232-F235 CarbonylContact O-C 3.56Å; L232-F235 WeakPolarHBondContact O-CB 3.49Å; L232-F235 PolarHBondContact O-N 2.98Å; L232-F235 VanDerWaalsContact O-N 3.12Å; Y233-F235 PolarHBondContact O-N 3.49Å; F235-L237 PolarHBondContact O-N 2.99Å; F235-A238 PolarHBondContact O-N 3.26Å; F235-C239 WeakPolarHBondContact CE2-SG 3.33Å; F235-C239 WeakPolarHBondContact O-CB 3.35Å; F235-C239 PolarHBondContact O-N 3.41Å; F235-C239 PolarHBondContact O-SG 2.9Å; F235-M243 HydrophobicContact CD1-CG 4.09Å; F235-M243 HydrophobicContact CE1-CG 3.31Å; F235-M243 HydrophobicContact CE1-SD 3.76Å; F235-M243 HydrophobicContact CE2-CG 4.34Å; F235-M243 HydrophobicContact CE2-SD 4.46Å; F235-M243 HydrophobicContact CZ-CE 4.1Å; F235-M243 HydrophobicContact CZ-CG 3.47Å; F235-M243 VanDerWaalsContact CZ-CG 3.47Å; F235-M243 HydrophobicContact CZ-SD 3.45Å; F235-M243 WeakPolarHBondContact CZ-SD 3.33Å; F235-I286 HydrophobicContact CB-CG2 4.38Å; F235-I286 HydrophobicContact CD1-CG1 4.3Å; F235-I286 HydrophobicContact CD1-CG2 4.01Å; F235-I286 HydrophobicContact CD2-CG2 3.66Å; F235-I286 HydrophobicContact CE1-CG2 4.13Å; F235-I286 HydrophobicContact CE2-CG2 3.8Å; F235-I286 HydrophobicContact CG-CG2 3.76Å; F235-I286 HydrophobicContact CZ-CG2 4.02Å; F235-A289 HydrophobicContact CE1-CB 4.24Å; F235-A289 HydrophobicContact CZ-CB 4.29Å |
| 236 | F | 97.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 0% | 0.004 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.6 | -39.1 | -177.1 | -62.2 | -30.3 | 0 | 0 | 0 | 112.4 | W218 F219 L232 Y233 A238 C239 M243 P244 F247 | W218-F236 HydrophobicContact CB-CD2 4.17Å; W218-F236 HydrophobicContact CB-CE2 4.17Å; W218-F236 HydrophobicContact CD2-CB 4.44Å; W218-F236 AromaticContact CD2-CD2 3.81Å; W218-F236 HydrophobicContact CD2-CD2 3.81Å; W218-F236 HydrophobicContact CE3-CB 4.3Å; W218-F236 AromaticContact CE3-CD2 4Å; W218-F236 HydrophobicContact CE3-CD2 4Å; W218-F236 AromaticContact CG-CD2 3.92Å; W218-F236 HydrophobicContact CG-CD2 3.92Å; W218-F236 HydrophobicContact CG-CE2 4.27Å; W218-F236 HydrophobicContact CH2-CB 3.92Å; W218-F236 HydrophobicContact CZ2-CB 4.09Å; W218-F236 HydrophobicContact CZ3-CB 4.06Å; F219-F236 AromaticContact CD2-CE2 4Å; F219-F236 HydrophobicContact CD2-CE2 4Å; F219-F236 AromaticContact CD2-CZ 3.91Å; F219-F236 HydrophobicContact CD2-CZ 3.91Å; F219-F236 HydrophobicContact CE2-CE2 4.38Å; F219-F236 AromaticContact CE2-CZ 3.92Å; F219-F236 HydrophobicContact CE2-CZ 3.92Å; L232-F236 HydrophobicContact CB-CD2 4.35Å; L232-F236 HydrophobicContact CB-CE2 3.87Å; L232-F236 HydrophobicContact CB-CZ 4.19Å; L232-F236 HydrophobicContact CD2-CZ 4.28Å; L232-F236 WeakPolarHBondContact O-CD2 3.5Å; L232-F236 VanDerWaalsContact O-CG 3.3Å; L232-F236 WeakPolarHBondContact O-CG 3.15Å; L232-F236 PolarHBondContact O-N 3.46Å; Y233-F236 PolarHBondContact O-N 3.41Å; F236-A238 PolarHBondContact O-N 3.34Å; F236-C239 PolarHBondContact O-N 3.01Å; F236-M243 HydrophobicContact CD1-CB 4.39Å; F236-M243 HydrophobicContact CD1-CG 4.19Å; F236-M243 HydrophobicContact CE1-CG 4.48Å; F236-P244 HydrophobicContact CD1-CG 3.93Å; F236-P244 HydrophobicContact CD2-CG 4.26Å; F236-P244 HydrophobicContact CE1-CB 4.29Å; F236-P244 HydrophobicContact CE1-CG 4.06Å; F236-P244 HydrophobicContact CE2-CG 4.37Å; F236-P244 HydrophobicContact CG-CG 4.05Å; F236-P244 HydrophobicContact CZ-CB 4.26Å; F236-P244 HydrophobicContact CZ-CG 4.28Å; F236-F247 HydrophobicContact CE1-CB 4.09Å; F236-F247 HydrophobicContact CE1-CG 4.4Å; F236-F247 HydrophobicContact CZ-CB 4.29Å; F236-F247 HydrophobicContact CZ-CD1 4.16Å; F236-F247 HydrophobicContact CZ-CG 4.33Å |
| 237 | L | 97.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.01 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.1 | -25.4 | 176.4 | -66.9 | 172.3 | 0 | 0 | 0 | 113 | W64 L67 L68 F147 L163 W218 Y233 F235 | W64-L237 HydrophobicContact CB-CD1 4.24Å; W64-L237 HydrophobicContact CD2-CD1 3.64Å; W64-L237 HydrophobicContact CE3-CD1 4.29Å; W64-L237 HydrophobicContact CG-CD1 3.63Å; W64-L237 HydrophobicContact CZ2-CD1 4.32Å; L67-L237 HydrophobicContact CB-CB 4.24Å; L67-L237 HydrophobicContact CD1-CB 4.01Å; L68-L237 HydrophobicContact CD1-CD2 3.89Å; L68-L237 HydrophobicContact CD2-CD2 3.61Å; L68-L237 HydrophobicContact CG-CD2 3.77Å; F147-L237 HydrophobicContact CE1-CD1 4.31Å; F147-L237 HydrophobicContact CZ-CD1 4.16Å; F147-L237 HydrophobicContact CZ-CD2 4.14Å; L163-L237 HydrophobicContact CD1-CD2 3.84Å; W218-L237 HydrophobicContact CH2-CD2 3.88Å; W218-L237 HydrophobicContact CH2-CG 4.32Å; W218-L237 HydrophobicContact CZ3-CD2 4.06Å; W218-L237 HydrophobicContact CZ3-CG 4.2Å; Y233-L237 VanDerWaalsContact O-CB 3.29Å; Y233-L237 WeakPolarHBondContact O-CB 3.25Å; Y233-L237 WeakPolarHBondContact O-CD1 3.25Å; Y233-L237 WeakPolarHBondContact O-CG 3.27Å; Y233-L237 PolarHBondContact O-N 2.99Å; F235-L237 PolarHBondContact O-N 2.99Å |
| 238 | A | 96.3 | Very high | 96.2 | Very high | 8 Ų | 8 | 8 Ų | 8 | 7% | 0.066 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -87.3 | -8.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R45 A48 I49 L67 D234 F235 F236 | R45-A238 HydrophobicContact CB-CB 4.36Å; R45-A238 HydrophobicContact CG-CB 4.23Å; A48-A238 HydrophobicContact CB-CB 3.8Å; I49-A238 HydrophobicContact CD1-CB 4.24Å; I49-A238 HydrophobicContact CG1-CB 3.82Å; L67-A238 HydrophobicContact CD1-CB 4.39Å; L67-A238 HydrophobicContact CD2-CB 4.48Å; D234-A238 WeakPolarHBondContact O-CB 3.03Å; D234-A238 PolarHBondContact O-N 3.44Å; F235-A238 PolarHBondContact O-N 3.26Å; F236-A238 PolarHBondContact O-N 3.34Å |
| 239 | C | 94.4 | Very high | 96.5 | Very high | 14 Ų | 14 | 4.9 Ų | 4.9 | 10% | 0.095 | 3% | 0.027 | C | C | . | . | S | Bend | trans | -120.2 | 178.5 | -168 | -73.7 | 0 | 0 | 0 | 0 | 112.8 | F235 F236 M243 F316 | F235-C239 WeakPolarHBondContact CE2-SG 3.33Å; F235-C239 WeakPolarHBondContact O-CB 3.35Å; F235-C239 PolarHBondContact O-N 3.41Å; F235-C239 PolarHBondContact O-SG 2.9Å; F236-C239 PolarHBondContact O-N 3.01Å; C239-M243 HydrophobicContact CB-CB 3.76Å; C239-M243 HydrophobicContact CB-CE 3.97Å; C239-M243 HydrophobicContact CB-CG 3.79Å; C239-F316 WeakPolarHBondContact O-CZ 3.37Å |
| 240 | H | 92.6 | Very high | 96.7 | Very high | 27 Ų | 27 | 5 Ų | 5 | 13% | 0.125 | 3% | 0.028 | C | C | . | . | trans | -62.8 | 147.1 | 173.5 | -170.5 | -88.6 | 0 | 0 | 0 | 111.6 | L242 M243 F293 F316 | H240-L242 WeakPolarHBondContact ND1-CB 3.37Å; H240-L242 PolarHBondContact ND1-N 3.24Å; H240-L242 VanDerWaalsContact ND1-N 3.15Å; H240-L242 PolarHBondContact O-N 2.7Å; H240-M243 WeakPolarHBondContact O-CB 3.5Å; H240-M243 PolarHBondContact O-N 2.79Å; H240-F293 HydrophobicContact CB-CE1 4.39Å; H240-F293 HydrophobicContact CB-CE2 3.53Å; H240-F293 HydrophobicContact CB-CZ 3.42Å; H240-F293 VanDerWaalsContact CB-CZ 3.42Å; H240-F293 AromaticContact CG-CE2 3.79Å; H240-F293 AromaticContact CG-CZ 3.69Å; H240-F316 HydrophobicContact CB-CE1 4.18Å; H240-F316 HydrophobicContact CB-CZ 4.48Å; H240-F316 AromaticContact CD2-CD1 3.29Å; H240-F316 WeakPolarHBondContact CD2-CD1 3.2Å; H240-F316 AromaticContact CD2-CE1 3.72Å; H240-F316 AromaticContact CD2-CG 3.88Å; H240-F316 AromaticContact NE2-CD1 3.96Å | ||
| 241 | P | 92.7 | Very high | 96.7 | Very high | 15 Ų | 15 | 5 Ų | 5 | 10% | 0.097 | 3% | 0.027 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -24.3 | -179.2 | -30 | 36.4 | 0 | 0 | 0 | 115.1 | H167 M243 P244 A312 F316 | H167-P241 HydrophobicContact CB-CB 4.47Å; P241-M243 VanDerWaalsContact C-N 3.35Å; P241-P244 VanDerWaalsContact O-CD 3.24Å; P241-P244 WeakPolarHBondContact O-CD 3.24Å; P241-A312 HydrophobicContact CB-CB 3.98Å; P241-A312 HydrophobicContact CG-CB 4.35Å; P241-F316 VanDerWaalsContact CD-CG 3.48Å; P241-F316 HydrophobicContact CG-CB 4.23Å; P241-F316 HydrophobicContact CG-CD2 3.58Å; P241-F316 HydrophobicContact CG-CE2 4.17Å; P241-F316 HydrophobicContact CG-CG 4.06Å |
| 242 | L | 93.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 4.3 Ų | 4.3 | 2% | 0.016 | 3% | 0.025 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -6 | 175.1 | -62.6 | 177.2 | 0 | 0 | 0 | 113.7 | I182 H240 P244 I245 Y246 P298 T313 | I182-L242 HydrophobicContact CB-CD2 4.49Å; I182-L242 HydrophobicContact CG1-CD2 4.05Å; I182-L242 HydrophobicContact CG2-CD2 3.86Å; H240-L242 WeakPolarHBondContact ND1-CB 3.37Å; H240-L242 PolarHBondContact ND1-N 3.24Å; H240-L242 VanDerWaalsContact ND1-N 3.15Å; H240-L242 PolarHBondContact O-N 2.7Å; L242-P244 VanDerWaalsContact C-N 3.27Å; L242-P244 VanDerWaalsContact O-N 3.16Å; L242-I245 HydrophobicContact CB-CG2 4.15Å; L242-I245 WeakPolarHBondContact O-CG2 3.39Å; L242-I245 PolarHBondContact O-N 3.12Å; L242-Y246 HydrophobicContact CB-CE2 4.35Å; L242-Y246 WeakPolarHBondContact O-CD2 3.48Å; L242-P298 HydrophobicContact CB-CG 4.37Å; L242-P298 HydrophobicContact CD1-CB 3.53Å; L242-P298 HydrophobicContact CD1-CG 3.72Å; L242-T313 HydrophobicContact CD1-CG2 4.44Å; L242-T313 WeakPolarHBondContact CD1-OG1 3.41Å |
| 243 | M | 97.1 | Very high | 96.8 | Very high | 6 Ų | 6 | 5 Ų | 5 | 3% | 0.03 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -53.1 | -35.8 | 179.4 | -171.4 | 57.8 | 69.8 | 0 | 0 | 114.5 | F235 F236 C239 H240 P241 I245 Y246 F247 A289 F293 | F235-M243 HydrophobicContact CD1-CG 4.09Å; F235-M243 HydrophobicContact CE1-CG 3.31Å; F235-M243 HydrophobicContact CE1-SD 3.76Å; F235-M243 HydrophobicContact CE2-CG 4.34Å; F235-M243 HydrophobicContact CE2-SD 4.46Å; F235-M243 HydrophobicContact CZ-CE 4.1Å; F235-M243 HydrophobicContact CZ-CG 3.47Å; F235-M243 VanDerWaalsContact CZ-CG 3.47Å; F235-M243 HydrophobicContact CZ-SD 3.45Å; F235-M243 WeakPolarHBondContact CZ-SD 3.33Å; F236-M243 HydrophobicContact CD1-CB 4.39Å; F236-M243 HydrophobicContact CD1-CG 4.19Å; F236-M243 HydrophobicContact CE1-CG 4.48Å; C239-M243 HydrophobicContact CB-CB 3.76Å; C239-M243 HydrophobicContact CB-CE 3.97Å; C239-M243 HydrophobicContact CB-CG 3.79Å; H240-M243 WeakPolarHBondContact O-CB 3.5Å; H240-M243 PolarHBondContact O-N 2.79Å; P241-M243 VanDerWaalsContact C-N 3.35Å; M243-I245 PolarHBondContact O-N 3.31Å; M243-Y246 PolarHBondContact O-N 3.08Å; M243-Y246 VanDerWaalsContact O-N 3.11Å; M243-F247 PolarHBondContact O-N 3.26Å; M243-A289 HydrophobicContact SD-CB 4.25Å; M243-F293 HydrophobicContact CE-CB 3.64Å; M243-F293 HydrophobicContact CE-CD1 4.2Å; M243-F293 HydrophobicContact CE-CD2 3.75Å; M243-F293 HydrophobicContact CE-CE2 4.5Å; M243-F293 HydrophobicContact CE-CG 3.58Å; M243-F293 HydrophobicContact SD-CB 4.34Å |
| 244 | P | 97 | Very high | 96.8 | Very high | 4 Ų | 4 | 8.4 Ų | 8.4 | 3% | 0.026 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -56.8 | -32 | 173.6 | -27.4 | 37 | 0 | 0 | 0 | 114.6 | L215 F219 F236 P241 L242 F247 A248 | L215-P244 HydrophobicContact CG-CB 4.46Å; F219-P244 HydrophobicContact CE2-CB 4.4Å; F236-P244 HydrophobicContact CD1-CG 3.93Å; F236-P244 HydrophobicContact CD2-CG 4.26Å; F236-P244 HydrophobicContact CE1-CB 4.29Å; F236-P244 HydrophobicContact CE1-CG 4.06Å; F236-P244 HydrophobicContact CE2-CG 4.37Å; F236-P244 HydrophobicContact CG-CG 4.05Å; F236-P244 HydrophobicContact CZ-CB 4.26Å; F236-P244 HydrophobicContact CZ-CG 4.28Å; P241-P244 VanDerWaalsContact O-CD 3.24Å; P241-P244 WeakPolarHBondContact O-CD 3.24Å; L242-P244 VanDerWaalsContact C-N 3.27Å; L242-P244 VanDerWaalsContact O-N 3.16Å; P244-F247 PolarHBondContact O-N 2.9Å; P244-A248 PolarHBondContact O-N 3.44Å |
| 245 | I | 96.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.005 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -72.8 | -33.7 | 177.1 | -165.4 | 60.8 | 0 | 0 | 0 | 112 | L183 L186 I189 L215 L242 M243 A248 A249 | L183-I245 HydrophobicContact CD2-CD1 4.36Å; L186-I245 HydrophobicContact CB-CD1 3.87Å; L186-I245 HydrophobicContact CB-CG1 4.36Å; L186-I245 HydrophobicContact CD1-CD1 4.12Å; L186-I245 HydrophobicContact CG-CD1 4.41Å; I189-I245 HydrophobicContact CD1-CG2 4.35Å; L215-I245 HydrophobicContact CD1-CD1 3.96Å; L215-I245 HydrophobicContact CD2-CB 4.31Å; L215-I245 HydrophobicContact CD2-CD1 3.9Å; L242-I245 HydrophobicContact CB-CG2 4.15Å; L242-I245 WeakPolarHBondContact O-CG2 3.39Å; L242-I245 PolarHBondContact O-N 3.12Å; M243-I245 PolarHBondContact O-N 3.31Å; I245-A248 HydrophobicContact CD1-CB 4.36Å; I245-A248 WeakPolarHBondContact O-CB 3.19Å; I245-A248 PolarHBondContact O-N 3.43Å; I245-A249 PolarHBondContact O-N 3.47Å |
| 246 | Y | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -68.2 | -39.6 | 173.1 | -69.5 | -97.3 | 0 | 0 | 0 | 110.7 | I189 L242 M243 A248 A249 V250 L292 F293 F296 P298 | I189-Y246 HydrophobicContact CD1-CD1 3.8Å; I189-Y246 HydrophobicContact CD1-CD2 4.23Å; I189-Y246 HydrophobicContact CD1-CE1 3.7Å; I189-Y246 HydrophobicContact CD1-CE2 4.12Å; I189-Y246 HydrophobicContact CD1-CG 4.06Å; I189-Y246 HydrophobicContact CG1-CD1 4.36Å; I189-Y246 HydrophobicContact CG1-CE1 4.03Å; I189-Y246 HydrophobicContact CG2-CD1 4.44Å; L242-Y246 HydrophobicContact CB-CE2 4.35Å; L242-Y246 WeakPolarHBondContact O-CD2 3.48Å; M243-Y246 PolarHBondContact O-N 3.08Å; M243-Y246 VanDerWaalsContact O-N 3.11Å; Y246-A248 VanDerWaalsContact C-N 3.33Å; Y246-A248 PolarHBondContact O-N 3.25Å; Y246-A249 WeakPolarHBondContact O-CB 3.23Å; Y246-A249 PolarHBondContact O-N 2.69Å; Y246-V250 WeakPolarHBondContact O-CG2 3.39Å; Y246-V250 PolarHBondContact O-N 3.29Å; Y246-L292 HydrophobicContact CD1-CB 3.94Å; Y246-F293 HydrophobicContact CD1-CB 4.09Å; Y246-F293 AromaticContact CD2-CD2 3.79Å; Y246-F293 HydrophobicContact CD2-CD2 3.79Å; Y246-F293 HydrophobicContact CE1-CB 4.24Å; Y246-F293 HydrophobicContact CE1-CD2 4.3Å; Y246-F293 AromaticContact CE2-CD2 3.57Å; Y246-F293 HydrophobicContact CE2-CD2 3.57Å; Y246-F293 HydrophobicContact CE2-CE2 4.11Å; Y246-F293 HydrophobicContact CG-CB 4.3Å; Y246-F293 HydrophobicContact CG-CD2 4.29Å; Y246-F293 AromaticContact CZ-CD2 3.84Å; Y246-F296 WeakPolarHBondContact CE1-O 3.46Å; Y246-F296 PolarHBondContact OH-O 3.17Å; Y246-P298 HydrophobicContact CE2-CG 4.16Å; Y246-P298 VanDerWaalsContact OH-CD 3.29Å; Y246-P298 WeakPolarHBondContact OH-CD 3.48Å; Y246-P298 WeakPolarHBondContact OH-CG 3.27Å |
| 247 | F | 98 | Very high | 96.6 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 0% | 0.004 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.7 | -40.2 | 174.7 | -168.1 | -107.7 | 0 | 0 | 0 | 111.8 | F219 L232 F236 M243 P244 V250 I251 Y282 L285 I286 A289 | F219-F247 HydrophobicContact CD1-CD1 4.34Å; F219-F247 HydrophobicContact CD1-CE1 4.34Å; F219-F247 HydrophobicContact CD2-CD1 4.08Å; F219-F247 AromaticContact CE1-CD1 3.9Å; F219-F247 HydrophobicContact CE1-CD1 3.9Å; F219-F247 HydrophobicContact CE1-CE1 4.25Å; F219-F247 AromaticContact CE2-CD1 3.66Å; F219-F247 HydrophobicContact CE2-CD1 3.66Å; F219-F247 HydrophobicContact CE2-CE1 4.47Å; F219-F247 HydrophobicContact CG-CD1 4.43Å; F219-F247 HydrophobicContact CG-CE1 4.49Å; F219-F247 HydrophobicContact CZ-CB 4.48Å; F219-F247 AromaticContact CZ-CD1 3.57Å; F219-F247 HydrophobicContact CZ-CD1 3.57Å; F219-F247 HydrophobicContact CZ-CE1 4.34Å; F219-F247 HydrophobicContact CZ-CG 4.49Å; L232-F247 HydrophobicContact CD1-CD1 4.43Å; L232-F247 HydrophobicContact CD1-CE1 3.7Å; L232-F247 HydrophobicContact CD1-CZ 4.14Å; L232-F247 HydrophobicContact CD2-CD1 4.18Å; L232-F247 HydrophobicContact CD2-CD2 4.27Å; L232-F247 HydrophobicContact CD2-CE1 3.67Å; L232-F247 HydrophobicContact CD2-CE2 3.78Å; L232-F247 HydrophobicContact CD2-CG 4.46Å; L232-F247 HydrophobicContact CD2-CZ 3.47Å; L232-F247 VanDerWaalsContact CD2-CZ 3.47Å; L232-F247 HydrophobicContact CG-CE1 4.37Å; L232-F247 HydrophobicContact CG-CZ 4.43Å; F236-F247 HydrophobicContact CE1-CB 4.09Å; F236-F247 HydrophobicContact CE1-CG 4.4Å; F236-F247 HydrophobicContact CZ-CB 4.29Å; F236-F247 HydrophobicContact CZ-CD1 4.16Å; F236-F247 HydrophobicContact CZ-CG 4.33Å; M243-F247 PolarHBondContact O-N 3.26Å; P244-F247 PolarHBondContact O-N 2.9Å; F247-V250 PolarHBondContact O-N 2.94Å; F247-I251 HydrophobicContact CD1-CD1 3.93Å; F247-I251 HydrophobicContact CE1-CD1 3.59Å; F247-I251 HydrophobicContact CE1-CG1 4.32Å; F247-I251 HydrophobicContact CZ-CD1 4.21Å; F247-I251 WeakPolarHBondContact O-CG1 3.44Å; F247-I251 PolarHBondContact O-N 3.5Å; F247-I251 VanDerWaalsContact O-N 3.09Å; F247-Y282 HydrophobicContact CZ-CD1 4.26Å; F247-L285 HydrophobicContact CD2-CB 4.49Å; F247-L285 HydrophobicContact CE2-CB 3.67Å; F247-L285 HydrophobicContact CZ-CB 4.28Å; F247-I286 HydrophobicContact CD2-CG1 4.44Å; F247-I286 HydrophobicContact CE2-CG1 3.9Å; F247-A289 HydrophobicContact CB-CB 4.33Å; F247-A289 HydrophobicContact CD2-CB 4.16Å |
| 248 | A | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.3 | -46.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | L186 W214 L215 F219 P244 I245 Y246 V250 I251 V252 | L186-A248 HydrophobicContact CD1-CB 4.26Å; W214-A248 HydrophobicContact CE3-CB 3.8Å; W214-A248 HydrophobicContact CZ3-CB 4.14Å; L215-A248 HydrophobicContact CD1-CB 4.13Å; F219-A248 HydrophobicContact CZ-CB 4.07Å; P244-A248 PolarHBondContact O-N 3.44Å; I245-A248 HydrophobicContact CD1-CB 4.36Å; I245-A248 WeakPolarHBondContact O-CB 3.19Å; I245-A248 PolarHBondContact O-N 3.43Å; Y246-A248 VanDerWaalsContact C-N 3.33Å; Y246-A248 PolarHBondContact O-N 3.25Å; A248-V250 VanDerWaalsContact C-N 3.32Å; A248-V250 PolarHBondContact O-N 3.08Å; A248-I251 PolarHBondContact O-N 3.46Å; A248-V252 PolarHBondContact O-N 2.9Å; A248-V252 VanDerWaalsContact O-N 3.12Å |
| 249 | A | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.3 | -43.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L186 I189 I190 I245 Y246 I251 V252 L253 | L186-A249 HydrophobicContact CD1-CB 3.71Å; I189-A249 HydrophobicContact CB-CB 4.05Å; I189-A249 HydrophobicContact CG2-CB 3.47Å; I189-A249 VanDerWaalsContact CG2-CB 3.47Å; I190-A249 HydrophobicContact CG1-CB 4.34Å; I245-A249 PolarHBondContact O-N 3.47Å; Y246-A249 WeakPolarHBondContact O-CB 3.23Å; Y246-A249 PolarHBondContact O-N 2.69Å; A249-I251 VanDerWaalsContact C-N 3.31Å; A249-I251 PolarHBondContact O-N 3.48Å; A249-V252 PolarHBondContact O-N 3.4Å; A249-L253 WeakPolarHBondContact O-CB 3.43Å; A249-L253 WeakPolarHBondContact O-CD1 3.34Å; A249-L253 VanDerWaalsContact O-CG 3.28Å; A249-L253 WeakPolarHBondContact O-CG 3.42Å; A249-L253 PolarHBondContact O-N 2.93Å |
| 250 | V | 97.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.018 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.4 | -34.5 | 178.1 | 170.4 | 0 | 0 | 0 | 0 | 112.3 | Y246 F247 A248 H254 L285 R288 A289 L292 | Y246-V250 WeakPolarHBondContact O-CG2 3.39Å; Y246-V250 PolarHBondContact O-N 3.29Å; F247-V250 PolarHBondContact O-N 2.94Å; A248-V250 VanDerWaalsContact C-N 3.32Å; A248-V250 PolarHBondContact O-N 3.08Å; V250-H254 WeakPolarHBondContact O-CB 3.31Å; V250-H254 PolarHBondContact O-N 3.07Å; V250-L285 HydrophobicContact CG1-CB 3.78Å; V250-L285 HydrophobicContact CG1-CD2 3.58Å; V250-L285 HydrophobicContact CG1-CG 4.2Å; V250-R288 HydrophobicContact CG1-CB 3.87Å; V250-R288 HydrophobicContact CG2-CB 4.03Å; V250-A289 HydrophobicContact CG2-CB 4.09Å; V250-L292 HydrophobicContact CG2-CD1 3.52Å; V250-L292 HydrophobicContact CG2-CG 4.22Å |
| 251 | I | 97.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.5 | -44.9 | 173.8 | -70.3 | 169.5 | 0 | 0 | 0 | 110.8 | W214 F219 F247 A248 A249 H254 R255 I276 L280 L285 | W214-I251 HydrophobicContact CZ3-CG2 4.47Å; F219-I251 HydrophobicContact CD1-CD1 4.1Å; F219-I251 HydrophobicContact CE1-CD1 3.56Å; F219-I251 HydrophobicContact CZ-CD1 4.37Å; F247-I251 HydrophobicContact CD1-CD1 3.93Å; F247-I251 HydrophobicContact CE1-CD1 3.59Å; F247-I251 HydrophobicContact CE1-CG1 4.32Å; F247-I251 HydrophobicContact CZ-CD1 4.21Å; F247-I251 WeakPolarHBondContact O-CG1 3.44Å; F247-I251 PolarHBondContact O-N 3.5Å; F247-I251 VanDerWaalsContact O-N 3.09Å; A248-I251 PolarHBondContact O-N 3.46Å; A249-I251 VanDerWaalsContact C-N 3.31Å; A249-I251 PolarHBondContact O-N 3.48Å; I251-H254 PolarHBondContact O-N 3.07Å; I251-R255 WeakPolarHBondContact O-CG 3.48Å; I251-R255 PolarHBondContact O-N 2.98Å; I251-I276 HydrophobicContact CD1-CD1 4.44Å; I251-L280 HydrophobicContact CG1-CD1 4.3Å; I251-L280 HydrophobicContact CG2-CD1 4.32Å; I251-L285 HydrophobicContact CG1-CD1 4.1Å |
| 252 | V | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.8 | -48.8 | 177.5 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | I190 V197 M201 F210 W214 A248 A249 H254 R255 E256 L273 | I190-V252 HydrophobicContact CD1-CB 4.14Å; I190-V252 HydrophobicContact CD1-CG1 3.83Å; V197-V252 HydrophobicContact CG1-CG1 4.33Å; M201-V252 HydrophobicContact CE-CG1 4.44Å; M201-V252 HydrophobicContact SD-CG1 3.82Å; F210-V252 HydrophobicContact CE2-CG2 3.96Å; F210-V252 HydrophobicContact CZ-CG2 4.1Å; W214-V252 HydrophobicContact CH2-CG2 4.47Å; W214-V252 HydrophobicContact CZ3-CG2 4.36Å; A248-V252 PolarHBondContact O-N 2.9Å; A248-V252 VanDerWaalsContact O-N 3.12Å; A249-V252 PolarHBondContact O-N 3.4Å; V252-H254 VanDerWaalsContact C-N 3.3Å; V252-H254 PolarHBondContact O-N 2.76Å; V252-R255 CarbonylContact O-C 3.5Å; V252-R255 PolarHBondContact O-N 3.04Å; V252-E256 PolarHBondContact O-N 3.29Å; V252-L273 HydrophobicContact CG1-CD2 4.36Å; V252-L273 HydrophobicContact CG2-CD2 4.24Å |
| 253 | L | 97.9 | Very high | 97.2 | Very high | 14 Ų | 14 | 37.9 Ų | 37.9 | 7% | 0.073 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.5 | -32.1 | 179 | -70.5 | 163.4 | 0 | 0 | 0 | 112.8 | I190 V193 N194 A249 R255 E256 L292 | I190-L253 HydrophobicContact CG1-CG 4.48Å; I190-L253 HydrophobicContact CG2-CD2 4.04Å; V193-L253 HydrophobicContact CB-CD1 3.77Å; V193-L253 HydrophobicContact CB-CD2 4Å; V193-L253 HydrophobicContact CG1-CD1 3.85Å; V193-L253 HydrophobicContact CG1-CD2 4.01Å; V193-L253 HydrophobicContact CG2-CD1 3.94Å; N194-L253 HydrophobicContact CB-CD2 3.67Å; A249-L253 WeakPolarHBondContact O-CB 3.43Å; A249-L253 WeakPolarHBondContact O-CD1 3.34Å; A249-L253 VanDerWaalsContact O-CG 3.28Å; A249-L253 WeakPolarHBondContact O-CG 3.42Å; A249-L253 PolarHBondContact O-N 2.93Å; L253-R255 PolarHBondContact O-N 3.45Å; L253-E256 WeakPolarHBondContact O-CB 3.35Å; L253-E256 WeakPolarHBondContact O-CG 3.44Å; L253-E256 PolarHBondContact O-N 3.47Å; L253-L292 HydrophobicContact CD1-CD1 4.06Å |
| 254 | H | 97.4 | Very high | 97 | Very high | 73 Ų | 73 | 40.6 Ų | 40.6 | 34% | 0.338 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.5 | -26.1 | 174.7 | -177.7 | 59.6 | 0 | 0 | 0 | 112.6 | V250 I251 V252 L280 P281 L285 | V250-H254 WeakPolarHBondContact O-CB 3.31Å; V250-H254 PolarHBondContact O-N 3.07Å; I251-H254 PolarHBondContact O-N 3.07Å; V252-H254 VanDerWaalsContact C-N 3.3Å; V252-H254 PolarHBondContact O-N 2.76Å; H254-L280 VanDerWaalsContact CD2-CD2 3.5Å; H254-L280 WeakPolarHBondContact CD2-CD2 3.34Å; H254-P281 WeakPolarHBondContact NE2-CD 3.45Å; H254-L285 HydrophobicContact CB-CD2 3.82Å |
| 255 | R | 96.4 | Very high | 97 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 24.4 | 179.9 | -59.6 | -178.2 | 68.6 | -159.7 | 1.3 | 112 | I251 V252 L253 E257 E258 V259 L272 Q275 | I251-R255 WeakPolarHBondContact O-CG 3.48Å; I251-R255 PolarHBondContact O-N 2.98Å; V252-R255 CarbonylContact O-C 3.5Å; V252-R255 PolarHBondContact O-N 3.04Å; L253-R255 PolarHBondContact O-N 3.45Å; R255-E257 VanDerWaalsContact C-N 3.29Å; R255-E257 PolarHBondContact O-N 3.21Å; R255-E258 WeakPolarHBondContact CG-OE1 3.48Å; R255-E258 IonicContact CZ-OE1 3.74Å; R255-E258 IonicContact CZ-OE2 3.37Å; R255-E258 IonicContact NE-OE1 3.04Å; R255-E258 PolarHBondContact NE-OE1 2.71Å; R255-E258 IonicContact NE-OE2 3.73Å; R255-E258 PolarHBondContact NE-OE2 2.98Å; R255-E258 IonicContact NH2-OE1 3.29Å; R255-E258 IonicContact NH2-OE2 3.84Å; R255-E258 PolarHBondContact NH2-OE2 3.29Å; R255-E258 PolarHBondContact O-N 3.44Å; R255-E258 VanDerWaalsContact O-N 3.17Å; R255-V259 WeakPolarHBondContact O-CG2 3.5Å; R255-V259 PolarHBondContact O-N 2.87Å; R255-L272 PolarHBondContact NH1-O 3.05Å; R255-Q275 PolarHBondContact NH1-O 2.9Å |
| 256 | E | 97.1 | Very high | 96.9 | Very high | 73 Ų | 73 | 48.6 Ų | 48.6 | 34% | 0.341 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -55.6 | -42.1 | -176.4 | 60.5 | -172.1 | -179.1 | 0 | 0 | 112.9 | N194 V197 V252 L253 V259 L260 | N194-E256 PolarHBondContact ND2-OE2 3.14Å; V197-E256 HydrophobicContact CG2-CB 3.57Å; V252-E256 PolarHBondContact O-N 3.29Å; L253-E256 WeakPolarHBondContact O-CB 3.35Å; L253-E256 WeakPolarHBondContact O-CG 3.44Å; L253-E256 PolarHBondContact O-N 3.47Å; E256-V259 PolarHBondContact O-N 3.09Å; E256-L260 WeakPolarHBondContact O-CB 3.45Å; E256-L260 VanDerWaalsContact O-CG 3.3Å; E256-L260 WeakPolarHBondContact O-CG 3.39Å; E256-L260 PolarHBondContact O-N 3.31Å |
| 257 | E | 97.1 | Very high | 96.7 | Very high | 146 Ų | 146 | 51.3 Ų | 51.3 | 68% | 0.682 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.2 | -48.3 | 177.3 | -64.9 | -178 | 172.8 | 0 | 0 | 111.1 | R255 V259 L260 E261 | R255-E257 VanDerWaalsContact C-N 3.29Å; R255-E257 PolarHBondContact O-N 3.21Å; E257-V259 VanDerWaalsContact C-N 3.29Å; E257-V259 PolarHBondContact O-N 2.95Å; E257-L260 PolarHBondContact O-N 3.3Å; E257-E261 WeakPolarHBondContact O-CB 3.42Å; E257-E261 VanDerWaalsContact O-CG 3.31Å; E257-E261 WeakPolarHBondContact O-CG 3.35Å; E257-E261 PolarHBondContact O-N 3.26Å |
| 258 | E | 96.9 | Very high | 96.6 | Very high | 83 Ų | 83 | 55.2 Ų | 55.2 | 39% | 0.388 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.2 | -36.7 | 177.8 | -62.5 | 177.1 | -101.5 | 0 | 0 | 112.3 | R255 C262 L272 | R255-E258 WeakPolarHBondContact CG-OE1 3.48Å; R255-E258 IonicContact CZ-OE1 3.74Å; R255-E258 IonicContact CZ-OE2 3.37Å; R255-E258 IonicContact NE-OE1 3.04Å; R255-E258 PolarHBondContact NE-OE1 2.71Å; R255-E258 IonicContact NE-OE2 3.73Å; R255-E258 PolarHBondContact NE-OE2 2.98Å; R255-E258 IonicContact NH2-OE1 3.29Å; R255-E258 IonicContact NH2-OE2 3.84Å; R255-E258 PolarHBondContact NH2-OE2 3.29Å; R255-E258 PolarHBondContact O-N 3.44Å; R255-E258 VanDerWaalsContact O-N 3.17Å; E258-C262 WeakPolarHBondContact O-CB 3.09Å; E258-C262 PolarHBondContact O-N 2.67Å; E258-L272 HydrophobicContact CB-CD1 4.44Å; E258-L272 HydrophobicContact CB-CD2 4.17Å; E258-L272 WeakPolarHBondContact O-CD2 3.36Å |
| 259 | V | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.3 | -46.6 | 179 | 172.2 | 0 | 0 | 0 | 0 | 110.4 | V197 F200 M201 R255 E256 E257 C262 L272 L273 | V197-V259 HydrophobicContact CG1-CG1 4.28Å; F200-V259 HydrophobicContact CD1-CG1 3.86Å; F200-V259 HydrophobicContact CE1-CG1 4.13Å; F200-V259 WeakPolarHBondContact CE1-O 3.39Å; F200-V259 VanDerWaalsContact CZ-O 3.31Å; F200-V259 WeakPolarHBondContact CZ-O 3.5Å; M201-V259 HydrophobicContact CG-CG1 4.23Å; R255-V259 WeakPolarHBondContact O-CG2 3.5Å; R255-V259 PolarHBondContact O-N 2.87Å; E256-V259 PolarHBondContact O-N 3.09Å; E257-V259 VanDerWaalsContact C-N 3.29Å; E257-V259 PolarHBondContact O-N 2.95Å; V259-C262 WeakPolarHBondContact O-CB 3.44Å; V259-C262 PolarHBondContact O-N 3.49Å; V259-L272 HydrophobicContact CG2-CD2 4.1Å; V259-L273 HydrophobicContact CG2-CD2 3.8Å |
| 260 | L | 97.2 | Very high | 96.4 | Very high | 52 Ų | 52 | 58.1 Ų | 58.1 | 27% | 0.272 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -72.4 | -27.5 | -178.5 | -67.2 | 174 | 0 | 0 | 0 | 113.2 | E196 V197 F200 E256 E257 C262 | E196-L260 HydrophobicContact CG-CD1 4.23Å; E196-L260 HydrophobicContact CG-CD2 4.02Å; V197-L260 HydrophobicContact CG2-CD1 4.15Å; V197-L260 HydrophobicContact CG2-CD2 4.36Å; V197-L260 HydrophobicContact CG2-CG 4.17Å; F200-L260 HydrophobicContact CB-CD2 3.73Å; F200-L260 HydrophobicContact CD2-CD2 4.2Å; F200-L260 HydrophobicContact CG-CD2 3.94Å; E256-L260 WeakPolarHBondContact O-CB 3.45Å; E256-L260 VanDerWaalsContact O-CG 3.3Å; E256-L260 WeakPolarHBondContact O-CG 3.39Å; E256-L260 PolarHBondContact O-N 3.31Å; E257-L260 PolarHBondContact O-N 3.3Å; L260-C262 VanDerWaalsContact C-N 3.32Å |
| 261 | E | 97 | Very high | 96.3 | Very high | 166 Ų | 166 | 63.2 Ų | 63.2 | 78% | 0.776 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -80.3 | -13.8 | 172.7 | -71.3 | -177.6 | 174.6 | 0 | 0 | 113.2 | E257 | E257-E261 WeakPolarHBondContact O-CB 3.42Å; E257-E261 VanDerWaalsContact O-CG 3.31Å; E257-E261 WeakPolarHBondContact O-CG 3.35Å; E257-E261 PolarHBondContact O-N 3.26Å |
| 262 | C | 95.7 | Very high | 96.2 | Very high | 25 Ų | 25 | 64.6 Ų | 64.6 | 17% | 0.169 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -65.7 | 156.5 | 178.3 | -159.8 | 0 | 0 | 0 | 0 | 111.2 | F200 E258 V259 L260 C264 L272 | F200-C262 HydrophobicContact CZ-CB 4.49Å; F200-C262 WeakPolarHBondContact CZ-O 3.5Å; E258-C262 WeakPolarHBondContact O-CB 3.09Å; E258-C262 PolarHBondContact O-N 2.67Å; V259-C262 WeakPolarHBondContact O-CB 3.44Å; V259-C262 PolarHBondContact O-N 3.49Å; L260-C262 VanDerWaalsContact C-N 3.32Å; C262-C264 PolarHBondContact O-N 3.1Å; C262-L272 HydrophobicContact CB-CD2 4.11Å |
| 263 | E | 95.3 | Very high | 96.1 | Very high | 133 Ų | 133 | 64.7 Ų | 64.7 | 62% | 0.621 | 33% | 0.327 | S | S | * | . | trans | -64.3 | 128.6 | 167 | -68.1 | -176.9 | 178.1 | 0 | 0 | 108.9 | D265 M268 | E263-D265 PolarHBondContact O-N 3.15Å; E263-M268 HydrophobicContact CB-CB 4.24Å; E263-M268 HydrophobicContact CB-CG 4.09Å | ||
| 264 | C | 94.8 | Very high | 95.8 | Very high | 64 Ų | 64 | 66 Ų | 66 | 43% | 0.432 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -73.1 | 66 | -178.6 | -170.7 | 0 | 0 | 0 | 0 | 111.3 | F200 C262 | F200-C264 HydrophobicContact CD2-CB 4.43Å; F200-C264 HydrophobicContact CE2-CB 3.62Å; F200-C264 HydrophobicContact CZ-CB 3.74Å; C262-C264 PolarHBondContact O-N 3.1Å |
| 265 | D | 95.3 | Very high | 95.4 | Very high | 79 Ų | 79 | 68 Ų | 68 | 42% | 0.422 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -136.4 | 142.5 | 179.4 | 173 | 77.2 | 0 | 0 | 0 | 110 | E263 A267 M268 V269 | E263-D265 PolarHBondContact O-N 3.15Å; D265-A267 VanDerWaalsContact C-N 3.31Å; D265-A267 PolarHBondContact O-N 2.92Å; D265-A267 WeakPolarHBondContact OD2-CB 3.47Å; D265-A267 PolarHBondContact OD2-N 3.41Å; D265-M268 HydrophobicContact CB-CB 4.37Å; D265-M268 HydrophobicContact CB-CG 4.21Å; D265-M268 PolarHBondContact O-N 3.44Å; D265-M268 PolarHBondContact OD2-N 2.86Å; D265-V269 WeakPolarHBondContact O-CG2 3.15Å; D265-V269 PolarHBondContact O-N 3.23Å |
| 266 | M | 94.9 | Very high | 95.1 | Very high | 93 Ų | 93 | 67.8 Ų | 67.8 | 46% | 0.458 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -52.8 | -46.2 | -176.6 | -177.8 | -84.4 | -167.3 | 0 | 0 | 112.5 | A204 H270 | A204-M266 WeakPolarHBondContact O-CA 3.35Å; A204-M266 VanDerWaalsContact O-CB 3.28Å; A204-M266 WeakPolarHBondContact O-CB 3.38Å; A204-M266 PolarHBondContact O-N 2.83Å; A204-M266 VanDerWaalsContact O-N 3.13Å; M266-H270 WeakPolarHBondContact O-CB 3.29Å; M266-H270 PolarHBondContact O-N 3.22Å |
| 267 | A | 94.7 | Very high | 94.7 | Very high | 58 Ų | 58 | 66 Ų | 66 | 48% | 0.479 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71.3 | -38.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D265 H271 | D265-A267 VanDerWaalsContact C-N 3.31Å; D265-A267 PolarHBondContact O-N 2.92Å; D265-A267 WeakPolarHBondContact OD2-CB 3.47Å; D265-A267 PolarHBondContact OD2-N 3.41Å; A267-H271 VanDerWaalsContact O-CB 3.23Å; A267-H271 WeakPolarHBondContact O-CB 3.27Å; A267-H271 PolarHBondContact O-N 3.02Å |
| 268 | M | 96.3 | Very high | 94.2 | Very high | 82 Ų | 82 | 62.7 Ų | 62.7 | 40% | 0.404 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.4 | -49.9 | -179.4 | -65.6 | -60.8 | -72.6 | 0 | 0 | 111.3 | E263 D265 H270 H271 L272 | E263-M268 HydrophobicContact CB-CB 4.24Å; E263-M268 HydrophobicContact CB-CG 4.09Å; D265-M268 HydrophobicContact CB-CB 4.37Å; D265-M268 HydrophobicContact CB-CG 4.21Å; D265-M268 PolarHBondContact O-N 3.44Å; D265-M268 PolarHBondContact OD2-N 2.86Å; M268-H270 PolarHBondContact O-N 2.61Å; M268-H271 PolarHBondContact O-N 3.2Å; M268-L272 WeakPolarHBondContact O-CB 3.41Å; M268-L272 PolarHBondContact O-N 3.17Å |
| 269 | V | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 177.6 | -176 | 0 | 0 | 0 | 0 | 110.7 | F200 A204 V206 D265 H271 L272 L273 | F200-V269 HydrophobicContact CE1-CG2 3.76Å; F200-V269 HydrophobicContact CZ-CG2 4.47Å; A204-V269 HydrophobicContact CB-CB 4.46Å; A204-V269 HydrophobicContact CB-CG2 3.81Å; V206-V269 HydrophobicContact CB-CB 4.21Å; V206-V269 HydrophobicContact CB-CG1 4.07Å; V206-V269 HydrophobicContact CG1-CG1 4.04Å; V206-V269 HydrophobicContact CG2-CB 4.02Å; V206-V269 HydrophobicContact CG2-CG1 3.91Å; D265-V269 WeakPolarHBondContact O-CG2 3.15Å; D265-V269 PolarHBondContact O-N 3.23Å; V269-H271 VanDerWaalsContact C-N 3.34Å; V269-H271 PolarHBondContact O-N 3.01Å; V269-L272 PolarHBondContact O-N 3.48Å; V269-L273 HydrophobicContact CG1-CD1 3.83Å; V269-L273 HydrophobicContact CG1-CG 4.32Å; V269-L273 WeakPolarHBondContact O-CB 3.37Å; V269-L273 WeakPolarHBondContact O-CG 3.49Å; V269-L273 PolarHBondContact O-N 3.29Å |
| 270 | H | 95.1 | Very high | 93.3 | Very high | 61 Ų | 61 | 66.1 Ų | 66.1 | 28% | 0.282 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 176 | -177 | -75.5 | 0 | 0 | 0 | 111.6 | V206 M266 M268 S274 | V206-H270 HydrophobicContact CG2-CB 3.9Å; M266-H270 WeakPolarHBondContact O-CB 3.29Å; M266-H270 PolarHBondContact O-N 3.22Å; M268-H270 PolarHBondContact O-N 2.61Å; H270-S274 PolarHBondContact CE1-OG 3.34Å; H270-S274 PolarHBondContact ND1-OG 2.89Å; H270-S274 WeakPolarHBondContact O-CB 3.28Å; H270-S274 PolarHBondContact O-N 2.9Å; H270-S274 PolarHBondContact O-OG 3.24Å |
| 271 | H | 95 | Very high | 93.2 | Very high | 110 Ų | 110 | 66.2 Ų | 66.2 | 51% | 0.509 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.7 | -48.2 | 178.7 | -177.4 | 77.7 | 0 | 0 | 0 | 111.6 | A267 M268 V269 L273 S274 Q275 | A267-H271 VanDerWaalsContact O-CB 3.23Å; A267-H271 WeakPolarHBondContact O-CB 3.27Å; A267-H271 PolarHBondContact O-N 3.02Å; M268-H271 PolarHBondContact O-N 3.2Å; V269-H271 VanDerWaalsContact C-N 3.34Å; V269-H271 PolarHBondContact O-N 3.01Å; H271-L273 PolarHBondContact O-N 2.94Å; H271-S274 PolarHBondContact O-N 3.18Å; H271-Q275 PolarHBondContact CE1-NE2 3.34Å; H271-Q275 PolarHBondContact NE2-NE2 3.13Å; H271-Q275 PolarHBondContact O-N 3.36Å |
| 272 | L | 95.8 | Very high | 93 | Very high | 32 Ų | 32 | 59 Ų | 59 | 17% | 0.168 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.9 | -51.1 | 178.2 | 176.9 | 70.6 | 0 | 0 | 0 | 111.4 | R255 E258 V259 C262 M268 V269 Q275 | R255-L272 PolarHBondContact NH1-O 3.05Å; E258-L272 HydrophobicContact CB-CD1 4.44Å; E258-L272 HydrophobicContact CB-CD2 4.17Å; E258-L272 WeakPolarHBondContact O-CD2 3.36Å; V259-L272 HydrophobicContact CG2-CD2 4.1Å; C262-L272 HydrophobicContact CB-CD2 4.11Å; M268-L272 WeakPolarHBondContact O-CB 3.41Å; M268-L272 PolarHBondContact O-N 3.17Å; V269-L272 PolarHBondContact O-N 3.48Å; L272-Q275 PolarHBondContact O-N 3.48Å |
| 273 | L | 94.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.9 | -42.4 | -176.2 | -68.9 | 177.3 | 0 | 0 | 0 | 111 | M201 F210 W214 V252 V259 V269 H271 Q275 | M201-L273 HydrophobicContact CE-CD1 3.96Å; F210-L273 HydrophobicContact CB-CB 4.43Å; F210-L273 HydrophobicContact CD1-CD1 3.99Å; F210-L273 HydrophobicContact CD2-CB 3.66Å; F210-L273 HydrophobicContact CD2-CD1 4.12Å; F210-L273 HydrophobicContact CD2-CG 4.48Å; F210-L273 HydrophobicContact CE1-CD1 3.64Å; F210-L273 HydrophobicContact CE2-CB 4.02Å; F210-L273 HydrophobicContact CE2-CD1 3.81Å; F210-L273 HydrophobicContact CE2-CG 4.4Å; F210-L273 HydrophobicContact CG-CB 3.96Å; F210-L273 HydrophobicContact CG-CD1 4.23Å; F210-L273 HydrophobicContact CZ-CD1 3.56Å; W214-L273 WeakPolarHBondContact CZ2-O 3.45Å; V252-L273 HydrophobicContact CG1-CD2 4.36Å; V252-L273 HydrophobicContact CG2-CD2 4.24Å; V259-L273 HydrophobicContact CG2-CD2 3.8Å; V269-L273 HydrophobicContact CG1-CD1 3.83Å; V269-L273 HydrophobicContact CG1-CG 4.32Å; V269-L273 WeakPolarHBondContact O-CB 3.37Å; V269-L273 WeakPolarHBondContact O-CG 3.49Å; V269-L273 PolarHBondContact O-N 3.29Å; H271-L273 PolarHBondContact O-N 2.94Å; L273-Q275 PolarHBondContact O-N 3.42Å |
| 274 | S | 92.3 | Very high | 93 | Very high | 41 Ų | 41 | 57.6 Ų | 57.6 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57 | -21.7 | 179.6 | -64.7 | 0 | 0 | 0 | 0 | 114 | H270 H271 | H270-S274 PolarHBondContact CE1-OG 3.34Å; H270-S274 PolarHBondContact ND1-OG 2.89Å; H270-S274 WeakPolarHBondContact O-CB 3.28Å; H270-S274 PolarHBondContact O-N 2.9Å; H270-S274 PolarHBondContact O-OG 3.24Å; H271-S274 PolarHBondContact O-N 3.18Å |
| 275 | Q | 89.9 | Confident | 93.1 | Very high | 115 Ų | 115 | 54.6 Ų | 54.6 | 54% | 0.537 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -98.9 | 104.8 | 174.6 | -63.9 | -175.3 | 7.2 | 0 | 0 | 110.5 | R255 H271 L272 L273 | R255-Q275 PolarHBondContact NH1-O 2.9Å; H271-Q275 PolarHBondContact CE1-NE2 3.34Å; H271-Q275 PolarHBondContact NE2-NE2 3.13Å; H271-Q275 PolarHBondContact O-N 3.36Å; L272-Q275 PolarHBondContact O-N 3.48Å; L273-Q275 PolarHBondContact O-N 3.42Å |
| 276 | I | 88.9 | Confident | 93.2 | Very high | 9 Ų | 9 | 51 Ų | 51 | 5% | 0.046 | 27% | 0.273 | C | S | . | . | trans | -83.4 | 125.4 | 175.2 | -58.3 | -179.5 | 0 | 0 | 0 | 109.5 | W214 F219 V222 L223 I251 Q278 L280 | W214-I276 HydrophobicContact CD2-CD1 3.87Å; W214-I276 HydrophobicContact CE3-CD1 4.44Å; W214-I276 HydrophobicContact CG-CD1 4.16Å; W214-I276 HydrophobicContact CZ2-CD1 4.06Å; W214-I276 HydrophobicContact CZ2-CG1 3.92Å; F219-I276 HydrophobicContact CD1-CD1 4.02Å; F219-I276 HydrophobicContact CE1-CD1 4.34Å; V222-I276 HydrophobicContact CB-CD1 4.09Å; V222-I276 HydrophobicContact CG1-CB 3.73Å; V222-I276 HydrophobicContact CG1-CD1 3.63Å; V222-I276 HydrophobicContact CG1-CG1 3.64Å; L223-I276 HydrophobicContact CD2-CG2 4.29Å; I251-I276 HydrophobicContact CD1-CD1 4.44Å; I276-Q278 PolarHBondContact O-NE2 3.35Å; I276-L280 HydrophobicContact CG2-CD1 3.38Å; I276-L280 HydrophobicContact CG2-CG 4.48Å | ||
| 277 | P | 89.3 | Confident | 93.2 | Very high | 35 Ų | 35 | 49.9 Ų | 49.9 | 23% | 0.227 | 27% | 0.274 | C | S | . | . | trans | -56.6 | 141.7 | 170.5 | -23.3 | 33.7 | 0 | 0 | 0 | 111.4 | L280 | P277-L280 HydrophobicContact CB-CD2 4.3Å; P277-L280 HydrophobicContact CB-CG 4.27Å; P277-L280 HydrophobicContact CG-CD2 4.45Å; P277-L280 WeakPolarHBondContact O-CG 3.08Å | ||
| 278 | Q | 85.4 | Confident | 93.3 | Very high | 77 Ų | 77 | 53 Ų | 53 | 36% | 0.36 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -22.9 | -172.8 | -61.7 | -60.4 | -53.5 | 0 | 0 | 112.8 | V222 S224 I276 Y282 | V222-Q278 PolarHBondContact O-NE2 3.09Å; S224-Q278 VanDerWaalsContact CB-OE1 3.25Å; S224-Q278 PolarHBondContact OG-OE1 3.39Å; I276-Q278 PolarHBondContact O-NE2 3.35Å; Q278-Y282 PolarHBondContact O-OH 3.35Å |
| 279 | D | 86.7 | Confident | 93.4 | Very high | 144 Ų | 144 | 49.1 Ų | 49.1 | 77% | 0.77 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 28.2 | -175 | 61.1 | -33.5 | 0 | 0 | 0 | 113.6 | ||
| 280 | L | 90.3 | Very high | 93.3 | Very high | 12 Ų | 12 | 50.1 Ų | 50.1 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | trans | -62.4 | 146.6 | 176.6 | -72.1 | 175.4 | 0 | 0 | 0 | 112.5 | I251 H254 I276 P277 Y282 L285 | I251-L280 HydrophobicContact CG1-CD1 4.3Å; I251-L280 HydrophobicContact CG2-CD1 4.32Å; H254-L280 VanDerWaalsContact CD2-CD2 3.5Å; H254-L280 WeakPolarHBondContact CD2-CD2 3.34Å; I276-L280 HydrophobicContact CG2-CD1 3.38Å; I276-L280 HydrophobicContact CG2-CG 4.48Å; P277-L280 HydrophobicContact CB-CD2 4.3Å; P277-L280 HydrophobicContact CB-CG 4.27Å; P277-L280 HydrophobicContact CG-CD2 4.45Å; P277-L280 WeakPolarHBondContact O-CG 3.08Å; L280-Y282 HydrophobicContact CB-CD1 4.4Å; L280-Y282 HydrophobicContact CB-CE1 4.02Å; L280-Y282 HydrophobicContact CB-CE2 4.26Å; L280-Y282 HydrophobicContact CD1-CE1 4.48Å; L280-Y282 WeakPolarHBondContact O-CD2 3.17Å; L280-Y282 VanDerWaalsContact O-CE2 3.27Å; L280-Y282 WeakPolarHBondContact O-CE2 3.21Å; L280-Y282 PolarHBondContact O-N 3.43Å; L280-L285 HydrophobicContact CB-CD1 3.93Å; L280-L285 HydrophobicContact CD1-CD1 4.17Å; L280-L285 HydrophobicContact CD2-CD1 4.37Å; L280-L285 HydrophobicContact CG-CD1 4.4Å | ||
| 281 | P | 94.5 | Very high | 93.3 | Very high | 54 Ų | 54 | 51.2 Ų | 51.2 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | trans | -77.8 | 68.3 | 177.5 | 32.8 | -35.7 | 0 | 0 | 0 | 111.4 | H254 E283 T284 L285 | H254-P281 WeakPolarHBondContact NE2-CD 3.45Å; P281-E283 VanDerWaalsContact C-N 3.32Å; P281-E283 PolarHBondContact O-N 3Å; P281-E283 VanDerWaalsContact O-N 3.14Å; P281-T284 WeakPolarHBondContact O-CA 3.46Å; P281-T284 WeakPolarHBondContact O-CB 3.43Å; P281-T284 PolarHBondContact O-N 2.64Å; P281-L285 HydrophobicContact CG-CD2 4.3Å; P281-L285 HydrophobicContact CG-CG 4.27Å; P281-L285 WeakPolarHBondContact O-CG 3.31Å; P281-L285 PolarHBondContact O-N 3.11Å | ||
| 282 | Y | 92.5 | Very high | 93.4 | Very high | 14 Ų | 14 | 46.7 Ų | 46.7 | 6% | 0.055 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -51 | -42.5 | -168.4 | -62.6 | -77.5 | 0 | 0 | 0 | 114.6 | L223 H228 F247 Q278 L280 T284 L285 I286 | L223-Y282 HydrophobicContact CD1-CE1 4.18Å; L223-Y282 HydrophobicContact CD2-CE1 3.89Å; L223-Y282 WeakPolarHBondContact CD2-OH 3.46Å; H228-Y282 HydrophobicContact CB-CD2 4.19Å; H228-Y282 HydrophobicContact CB-CE2 4.12Å; H228-Y282 HydrophobicContact CB-CG 4.48Å; H228-Y282 AromaticContact CD2-CD2 3.64Å; H228-Y282 AromaticContact CD2-CE2 4Å; H228-Y282 AromaticContact CE1-CD2 3.9Å; H228-Y282 AromaticContact CE1-CE2 3.63Å; H228-Y282 AromaticContact CG-CD2 3.62Å; H228-Y282 AromaticContact CG-CE2 3.56Å; H228-Y282 AromaticContact ND1-CD2 3.76Å; H228-Y282 AromaticContact ND1-CE2 3.29Å; H228-Y282 VanDerWaalsContact ND1-CE2 3.29Å; H228-Y282 WeakPolarHBondContact ND1-CE2 3.37Å; H228-Y282 AromaticContact NE2-CD2 3.83Å; F247-Y282 HydrophobicContact CZ-CD1 4.26Å; Q278-Y282 PolarHBondContact O-OH 3.35Å; L280-Y282 HydrophobicContact CB-CD1 4.4Å; L280-Y282 HydrophobicContact CB-CE1 4.02Å; L280-Y282 HydrophobicContact CB-CE2 4.26Å; L280-Y282 HydrophobicContact CD1-CE1 4.48Å; L280-Y282 WeakPolarHBondContact O-CD2 3.17Å; L280-Y282 VanDerWaalsContact O-CE2 3.27Å; L280-Y282 WeakPolarHBondContact O-CE2 3.21Å; L280-Y282 PolarHBondContact O-N 3.43Å; Y282-T284 VanDerWaalsContact C-N 3.33Å; Y282-T284 PolarHBondContact O-N 3.09Å; Y282-L285 PolarHBondContact O-N 3.21Å; Y282-I286 WeakPolarHBondContact O-CB 3.48Å; Y282-I286 VanDerWaalsContact O-CG1 3.22Å; Y282-I286 WeakPolarHBondContact O-CG1 3.43Å; Y282-I286 PolarHBondContact O-N 3.22Å |
| 283 | E | 94.6 | Very high | 93.3 | Very high | 59 Ų | 59 | 47.3 Ų | 47.3 | 28% | 0.276 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 179.3 | -67.4 | -64.9 | 170.8 | 0 | 0 | 112.2 | E51 G52 R231 P281 S287 | E51-E283 WeakPolarHBondContact CA-OE2 3.45Å; E51-E283 HydrophobicContact CG-CG 4.19Å; G52-E283 WeakPolarHBondContact CA-OE1 3.29Å; G52-E283 PolarHBondContact N-OE1 3.43Å; G52-E283 PolarHBondContact N-OE2 2.79Å; R231-E283 IonicContact CZ-OE1 2.73Å; R231-E283 IonicContact CZ-OE2 2.67Å; R231-E283 IonicContact NE-OE1 3.73Å; R231-E283 PolarHBondContact NE-OE1 2.99Å; R231-E283 IonicContact NE-OE2 3.59Å; R231-E283 PolarHBondContact NE-OE2 3.31Å; R231-E283 IonicContact NH2-OE1 3.95Å; R231-E283 IonicContact NH2-OE2 3.71Å; R231-E283 PolarHBondContact NH2-OE2 3.45Å; P281-E283 VanDerWaalsContact C-N 3.32Å; P281-E283 PolarHBondContact O-N 3Å; P281-E283 VanDerWaalsContact O-N 3.14Å; E283-S287 PolarHBondContact O-N 3.46Å; E283-S287 VanDerWaalsContact O-N 3.09Å |
| 284 | T | 96.1 | Very high | 93.3 | Very high | 70 Ų | 70 | 52.8 Ų | 52.8 | 43% | 0.429 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 173.4 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | P281 Y282 S287 R288 | P281-T284 WeakPolarHBondContact O-CA 3.46Å; P281-T284 WeakPolarHBondContact O-CB 3.43Å; P281-T284 PolarHBondContact O-N 2.64Å; Y282-T284 VanDerWaalsContact C-N 3.33Å; Y282-T284 PolarHBondContact O-N 3.09Å; T284-S287 PolarHBondContact O-N 3.07Å; T284-R288 WeakPolarHBondContact O-CG 3.38Å; T284-R288 PolarHBondContact O-N 3.28Å |
| 285 | L | 96.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 179.2 | -57.6 | -176.8 | 0 | 0 | 0 | 111.9 | F247 V250 I251 H254 L280 P281 Y282 R288 A289 | F247-L285 HydrophobicContact CD2-CB 4.49Å; F247-L285 HydrophobicContact CE2-CB 3.67Å; F247-L285 HydrophobicContact CZ-CB 4.28Å; V250-L285 HydrophobicContact CG1-CB 3.78Å; V250-L285 HydrophobicContact CG1-CD2 3.58Å; V250-L285 HydrophobicContact CG1-CG 4.2Å; I251-L285 HydrophobicContact CG1-CD1 4.1Å; H254-L285 HydrophobicContact CB-CD2 3.82Å; L280-L285 HydrophobicContact CB-CD1 3.93Å; L280-L285 HydrophobicContact CD1-CD1 4.17Å; L280-L285 HydrophobicContact CD2-CD1 4.37Å; L280-L285 HydrophobicContact CG-CD1 4.4Å; P281-L285 HydrophobicContact CG-CD2 4.3Å; P281-L285 HydrophobicContact CG-CG 4.27Å; P281-L285 WeakPolarHBondContact O-CG 3.31Å; P281-L285 PolarHBondContact O-N 3.11Å; Y282-L285 PolarHBondContact O-N 3.21Å; L285-R288 PolarHBondContact O-N 3.11Å; L285-A289 WeakPolarHBondContact O-CB 3.33Å; L285-A289 PolarHBondContact O-N 3.11Å |
| 286 | I | 96.6 | Very high | 93.6 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 174.3 | -72.2 | 167.2 | 0 | 0 | 0 | 110.3 | R231 L232 F235 F247 Y282 A289 G290 | R231-I286 HydrophobicContact CG-CD1 4.11Å; L232-I286 HydrophobicContact CD2-CD1 3.85Å; L232-I286 HydrophobicContact CD2-CG1 3.81Å; F235-I286 HydrophobicContact CB-CG2 4.38Å; F235-I286 HydrophobicContact CD1-CG1 4.3Å; F235-I286 HydrophobicContact CD1-CG2 4.01Å; F235-I286 HydrophobicContact CD2-CG2 3.66Å; F235-I286 HydrophobicContact CE1-CG2 4.13Å; F235-I286 HydrophobicContact CE2-CG2 3.8Å; F235-I286 HydrophobicContact CG-CG2 3.76Å; F235-I286 HydrophobicContact CZ-CG2 4.02Å; F247-I286 HydrophobicContact CD2-CG1 4.44Å; F247-I286 HydrophobicContact CE2-CG1 3.9Å; Y282-I286 WeakPolarHBondContact O-CB 3.48Å; Y282-I286 VanDerWaalsContact O-CG1 3.22Å; Y282-I286 WeakPolarHBondContact O-CG1 3.43Å; Y282-I286 PolarHBondContact O-N 3.22Å; I286-A289 PolarHBondContact O-N 2.79Å; I286-G290 PolarHBondContact O-N 3.46Å; I286-G290 VanDerWaalsContact O-N 3.14Å |
| 287 | S | 95.9 | Very high | 93.7 | Very high | 68 Ų | 68 | 53.1 Ų | 53.1 | 48% | 0.476 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.2 | -49.9 | 176.5 | -170.2 | 0 | 0 | 0 | 0 | 111.3 | E283 T284 A289 G290 D291 | E283-S287 PolarHBondContact O-N 3.46Å; E283-S287 VanDerWaalsContact O-N 3.09Å; T284-S287 PolarHBondContact O-N 3.07Å; S287-A289 VanDerWaalsContact C-N 3.29Å; S287-A289 PolarHBondContact O-N 3.35Å; S287-G290 PolarHBondContact O-N 3.24Å; S287-G290 VanDerWaalsContact O-N 3.15Å; S287-D291 PolarHBondContact O-N 3.06Å |
| 288 | R | 97.1 | Very high | 93.7 | Very high | 124 Ų | 124 | 51.9 Ų | 51.9 | 47% | 0.468 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.3 | -37.7 | 178.7 | -74.3 | -179.8 | 179.4 | -164.2 | -0.9 | 112.2 | V250 T284 L285 G290 D291 L292 | V250-R288 HydrophobicContact CG1-CB 3.87Å; V250-R288 HydrophobicContact CG2-CB 4.03Å; T284-R288 WeakPolarHBondContact O-CG 3.38Å; T284-R288 PolarHBondContact O-N 3.28Å; L285-R288 PolarHBondContact O-N 3.11Å; R288-G290 VanDerWaalsContact C-N 3.32Å; R288-G290 PolarHBondContact O-N 3.35Å; R288-D291 PolarHBondContact O-N 3.29Å; R288-L292 WeakPolarHBondContact O-CG 3.35Å; R288-L292 PolarHBondContact O-N 3.39Å |
| 289 | A | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64 | -40.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F235 M243 F247 V250 L285 I286 S287 L292 F293 | F235-A289 HydrophobicContact CE1-CB 4.24Å; F235-A289 HydrophobicContact CZ-CB 4.29Å; M243-A289 HydrophobicContact SD-CB 4.25Å; F247-A289 HydrophobicContact CB-CB 4.33Å; F247-A289 HydrophobicContact CD2-CB 4.16Å; V250-A289 HydrophobicContact CG2-CB 4.09Å; L285-A289 WeakPolarHBondContact O-CB 3.33Å; L285-A289 PolarHBondContact O-N 3.11Å; I286-A289 PolarHBondContact O-N 2.79Å; S287-A289 VanDerWaalsContact C-N 3.29Å; S287-A289 PolarHBondContact O-N 3.35Å; A289-L292 PolarHBondContact O-N 3.1Å; A289-F293 WeakPolarHBondContact O-CB 3.27Å; A289-F293 PolarHBondContact O-N 3.49Å |
| 290 | G | 94.7 | Very high | 93.7 | Very high | 21 Ų | 21 | 51.1 Ų | 51.1 | 22% | 0.216 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I286 S287 R288 L292 F293 V294 | I286-G290 PolarHBondContact O-N 3.46Å; I286-G290 VanDerWaalsContact O-N 3.14Å; S287-G290 PolarHBondContact O-N 3.24Å; S287-G290 VanDerWaalsContact O-N 3.15Å; R288-G290 VanDerWaalsContact C-N 3.32Å; R288-G290 PolarHBondContact O-N 3.35Å; G290-L292 PolarHBondContact O-N 3.37Å; G290-F293 WeakPolarHBondContact O-CB 3.23Å; G290-F293 PolarHBondContact O-N 3.2Å; G290-V294 WeakPolarHBondContact O-CG2 3.34Å; G290-V294 PolarHBondContact O-N 3.3Å; G290-V294 VanDerWaalsContact O-N 3.1Å |
| 291 | D | 95 | Very high | 93.5 | Very high | 84 Ų | 84 | 50.6 Ų | 50.6 | 45% | 0.449 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 178.5 | -63.8 | -30.4 | 0 | 0 | 0 | 112.1 | S287 R288 V294 Q295 | S287-D291 PolarHBondContact O-N 3.06Å; R288-D291 PolarHBondContact O-N 3.29Å; D291-V294 PolarHBondContact O-N 3.39Å; D291-Q295 WeakPolarHBondContact O-CB 3.37Å; D291-Q295 VanDerWaalsContact O-CG 3.3Å; D291-Q295 WeakPolarHBondContact O-CG 3.22Å; D291-Q295 PolarHBondContact O-N 3.49Å; D291-Q295 PolarHBondContact O-NE2 2.85Å |
| 292 | L | 95.9 | Very high | 92.9 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 175.5 | -69.1 | -168.6 | 0 | 0 | 0 | 111.9 | I189 V193 Y246 V250 L253 R288 A289 G290 V294 Q295 F296 | I189-L292 HydrophobicContact CG2-CD1 3.88Å; V193-L292 HydrophobicContact CG2-CD1 4.13Å; V193-L292 HydrophobicContact CG2-CD2 3.41Å; V193-L292 VanDerWaalsContact CG2-CD2 3.41Å; V193-L292 HydrophobicContact CG2-CG 4.44Å; Y246-L292 HydrophobicContact CD1-CB 3.94Å; V250-L292 HydrophobicContact CG2-CD1 3.52Å; V250-L292 HydrophobicContact CG2-CG 4.22Å; L253-L292 HydrophobicContact CD1-CD1 4.06Å; R288-L292 WeakPolarHBondContact O-CG 3.35Å; R288-L292 PolarHBondContact O-N 3.39Å; A289-L292 PolarHBondContact O-N 3.1Å; G290-L292 PolarHBondContact O-N 3.37Å; L292-V294 VanDerWaalsContact C-N 3.29Å; L292-V294 PolarHBondContact O-N 3.04Å; L292-Q295 PolarHBondContact O-N 2.9Å; L292-F296 HydrophobicContact CD2-CD2 4.24Å; L292-F296 HydrophobicContact CD2-CE2 4.05Å; L292-F296 PolarHBondContact O-N 3.22Å |
| 293 | F | 95.5 | Very high | 92 | Very high | 45 Ų | 45 | 57.7 Ų | 57.7 | 20% | 0.197 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 177.1 | -175.8 | -86.4 | 0 | 0 | 0 | 112.3 | H240 M243 Y246 A289 G290 P297 P298 | H240-F293 HydrophobicContact CB-CE1 4.39Å; H240-F293 HydrophobicContact CB-CE2 3.53Å; H240-F293 HydrophobicContact CB-CZ 3.42Å; H240-F293 VanDerWaalsContact CB-CZ 3.42Å; H240-F293 AromaticContact CG-CE2 3.79Å; H240-F293 AromaticContact CG-CZ 3.69Å; M243-F293 HydrophobicContact CE-CB 3.64Å; M243-F293 HydrophobicContact CE-CD1 4.2Å; M243-F293 HydrophobicContact CE-CD2 3.75Å; M243-F293 HydrophobicContact CE-CE2 4.5Å; M243-F293 HydrophobicContact CE-CG 3.58Å; M243-F293 HydrophobicContact SD-CB 4.34Å; Y246-F293 HydrophobicContact CD1-CB 4.09Å; Y246-F293 AromaticContact CD2-CD2 3.79Å; Y246-F293 HydrophobicContact CD2-CD2 3.79Å; Y246-F293 HydrophobicContact CE1-CB 4.24Å; Y246-F293 HydrophobicContact CE1-CD2 4.3Å; Y246-F293 AromaticContact CE2-CD2 3.57Å; Y246-F293 HydrophobicContact CE2-CD2 3.57Å; Y246-F293 HydrophobicContact CE2-CE2 4.11Å; Y246-F293 HydrophobicContact CG-CB 4.3Å; Y246-F293 HydrophobicContact CG-CD2 4.29Å; Y246-F293 AromaticContact CZ-CD2 3.84Å; A289-F293 WeakPolarHBondContact O-CB 3.27Å; A289-F293 PolarHBondContact O-N 3.49Å; G290-F293 WeakPolarHBondContact O-CB 3.23Å; G290-F293 PolarHBondContact O-N 3.2Å; F293-P297 WeakPolarHBondContact O-CA 3.24Å; F293-P298 HydrophobicContact CD2-CG 4.41Å; F293-P298 HydrophobicContact CE2-CG 3.63Å; F293-P298 HydrophobicContact CZ-CG 4.16Å |
| 294 | V | 93.8 | Very high | 91.1 | Very high | 117 Ų | 117 | 59.8 Ų | 59.8 | 71% | 0.709 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -72.1 | -40.8 | 177 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | G290 D291 L292 | G290-V294 WeakPolarHBondContact O-CG2 3.34Å; G290-V294 PolarHBondContact O-N 3.3Å; G290-V294 VanDerWaalsContact O-N 3.1Å; D291-V294 PolarHBondContact O-N 3.39Å; L292-V294 VanDerWaalsContact C-N 3.29Å; L292-V294 PolarHBondContact O-N 3.04Å |
| 295 | Q | 93.9 | Very high | 90 | Very high | 113 Ų | 113 | 56.7 Ų | 56.7 | 53% | 0.528 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -71.9 | -37.2 | -178.8 | -74.5 | 172.1 | 78.4 | 0 | 0 | 113 | D291 L292 | D291-Q295 WeakPolarHBondContact O-CB 3.37Å; D291-Q295 VanDerWaalsContact O-CG 3.3Å; D291-Q295 WeakPolarHBondContact O-CG 3.22Å; D291-Q295 PolarHBondContact O-N 3.49Å; D291-Q295 PolarHBondContact O-NE2 2.85Å; L292-Q295 PolarHBondContact O-N 2.9Å |
| 296 | F | 93.8 | Very high | 88.5 | Confident | 31 Ų | 31 | 60 Ų | 60 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -130.8 | 68.5 | -174.5 | -49 | -59.7 | 0 | 0 | 0 | 109.9 | R192 V193 Y246 L292 L301 | R192-F296 HydrophobicContact CB-CD1 4Å; R192-F296 HydrophobicContact CB-CD2 4.07Å; R192-F296 HydrophobicContact CB-CE1 3.69Å; R192-F296 HydrophobicContact CB-CE2 3.76Å; R192-F296 HydrophobicContact CB-CG 4.18Å; R192-F296 HydrophobicContact CB-CZ 3.56Å; R192-F296 HydrophobicContact CG-CD1 4Å; R192-F296 HydrophobicContact CG-CE1 4.05Å; R192-F296 HydrophobicContact CG-CG 4.32Å; R192-F296 HydrophobicContact CG-CZ 4.41Å; V193-F296 HydrophobicContact CG2-CE2 3.95Å; Y246-F296 WeakPolarHBondContact CE1-O 3.46Å; Y246-F296 PolarHBondContact OH-O 3.17Å; L292-F296 HydrophobicContact CD2-CD2 4.24Å; L292-F296 HydrophobicContact CD2-CE2 4.05Å; L292-F296 PolarHBondContact O-N 3.22Å; F296-L301 HydrophobicContact CB-CD1 4.01Å; F296-L301 HydrophobicContact CB-CD2 4.34Å; F296-L301 HydrophobicContact CB-CG 4.31Å; F296-L301 WeakPolarHBondContact O-CD1 3.29Å |
| 297 | P | 92.2 | Very high | 86.7 | Confident | 28 Ų | 28 | 60.3 Ų | 60.3 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | trans | -63.4 | 151.7 | -175.1 | 26.5 | -34.8 | 0 | 0 | 0 | 111.7 | F293 S299 E300 L301 | F293-P297 WeakPolarHBondContact O-CA 3.24Å; P297-S299 PolarHBondContact O-N 2.87Å; P297-E300 HydrophobicContact CG-CB 4.38Å; P297-E300 HydrophobicContact CG-CG 3.91Å; P297-E300 PolarHBondContact O-N 3.13Å; P297-L301 PolarHBondContact O-N 2.54Å | ||
| 298 | P | 88.8 | Confident | 85 | Confident | 8 Ų | 8 | 64.1 Ų | 64.1 | 5% | 0.052 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -55 | -32.8 | -176 | -26.3 | 32.2 | 0 | 0 | 0 | 114.6 | Y185 L242 Y246 F293 E300 L301 A302 | Y185-P298 HydrophobicContact CE1-CB 4.25Å; L242-P298 HydrophobicContact CB-CG 4.37Å; L242-P298 HydrophobicContact CD1-CB 3.53Å; L242-P298 HydrophobicContact CD1-CG 3.72Å; Y246-P298 HydrophobicContact CE2-CG 4.16Å; Y246-P298 VanDerWaalsContact OH-CD 3.29Å; Y246-P298 WeakPolarHBondContact OH-CD 3.48Å; Y246-P298 WeakPolarHBondContact OH-CG 3.27Å; F293-P298 HydrophobicContact CD2-CG 4.41Å; F293-P298 HydrophobicContact CE2-CG 3.63Å; F293-P298 HydrophobicContact CZ-CG 4.16Å; P298-E300 PolarHBondContact O-N 2.83Å; P298-L301 PolarHBondContact O-N 3.13Å; P298-A302 WeakPolarHBondContact O-CB 3.43Å; P298-A302 PolarHBondContact O-N 3.4Å |
| 299 | S | 86 | Confident | 83.2 | Confident | 97 Ų | 97 | 65.4 Ų | 65.4 | 68% | 0.678 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.3 | -28.7 | 178.1 | 50.8 | 0 | 0 | 0 | 0 | 113.7 | P297 | P297-S299 PolarHBondContact O-N 2.87Å |
| 300 | E | 85.9 | Confident | 81.7 | Confident | 109 Ų | 109 | 66 Ų | 66 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -81.7 | -39.4 | 176.4 | -69.8 | -178.9 | -170.2 | 0 | 0 | 111.2 | P297 P298 | P297-E300 HydrophobicContact CG-CB 4.38Å; P297-E300 HydrophobicContact CG-CG 3.91Å; P297-E300 PolarHBondContact O-N 3.13Å; P298-E300 PolarHBondContact O-N 2.83Å |
| 301 | L | 85.8 | Confident | 80.6 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -78.6 | -18.7 | -177.6 | -61.4 | -179.5 | 0 | 0 | 0 | 114 | Y185 P188 I189 F296 P297 P298 K303 E304 A305 | Y185-L301 HydrophobicContact CD1-CB 3.89Å; Y185-L301 HydrophobicContact CE1-CB 4.09Å; P188-L301 HydrophobicContact CB-CD2 4.12Å; I189-L301 HydrophobicContact CD1-CD1 4.29Å; I189-L301 HydrophobicContact CG1-CD1 3.46Å; I189-L301 VanDerWaalsContact CG1-CD1 3.46Å; F296-L301 HydrophobicContact CB-CD1 4.01Å; F296-L301 HydrophobicContact CB-CD2 4.34Å; F296-L301 HydrophobicContact CB-CG 4.31Å; F296-L301 WeakPolarHBondContact O-CD1 3.29Å; P297-L301 PolarHBondContact O-N 2.54Å; P298-L301 PolarHBondContact O-N 3.13Å; L301-K303 PolarHBondContact O-N 3.04Å; L301-K303 VanDerWaalsContact O-N 3.12Å; L301-E304 PolarHBondContact O-N 2.93Å; L301-A305 PolarHBondContact O-N 3.33Å |
| 302 | A | 81.8 | Confident | 79.3 | Confident | 26 Ų | 26 | 64.5 Ų | 64.5 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -35.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P298 A307 | P298-A302 WeakPolarHBondContact O-CB 3.43Å; P298-A302 PolarHBondContact O-N 3.4Å; A302-A307 PolarHBondContact O-N 3.41Å |
| 303 | K | 74.4 | Confident | 78.3 | Confident | 192 Ų | 192 | 64.8 Ų | 64.8 | 84% | 0.835 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -39 | 178.4 | -67.4 | -178.7 | -177.9 | 175.1 | 0 | 112.6 | L301 | L301-K303 PolarHBondContact O-N 3.04Å; L301-K303 VanDerWaalsContact O-N 3.12Å |
| 304 | E | 76.3 | Confident | 77.2 | Confident | 102 Ų | 102 | 65.1 Ų | 65.1 | 48% | 0.477 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -36.2 | -178.2 | -72.6 | 165.2 | -150.8 | 0 | 0 | 111.5 | P188 R192 L301 A306 | P188-E304 HydrophobicContact CB-CB 4.37Å; P188-E304 HydrophobicContact CG-CB 4.23Å; R192-E304 IonicContact CZ-OE1 3.26Å; R192-E304 IonicContact CZ-OE2 3.91Å; R192-E304 IonicContact NE-OE2 3.61Å; R192-E304 IonicContact NH2-OE1 2.76Å; R192-E304 PolarHBondContact NH2-OE1 2.91Å; R192-E304 IonicContact NH2-OE2 2.73Å; R192-E304 PolarHBondContact NH2-OE2 2.99Å; L301-E304 PolarHBondContact O-N 2.93Å; E304-A306 PolarHBondContact O-N 3.37Å; E304-A306 VanDerWaalsContact O-N 3.09Å |
| 305 | A | 72 | Confident | 76.2 | Confident | 5 Ų | 5 | 62.4 Ų | 62.4 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -3.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | N184 Y185 P188 L301 A307 | N184-A305 HydrophobicContact CB-CB 4.16Å; N184-A305 WeakPolarHBondContact CB-O 3.44Å; N184-A305 PolarHBondContact ND2-O 2.82Å; Y185-A305 HydrophobicContact CD1-CB 4.14Å; Y185-A305 HydrophobicContact CD2-CB 4.22Å; Y185-A305 HydrophobicContact CE1-CB 4.27Å; Y185-A305 HydrophobicContact CE2-CB 4.35Å; Y185-A305 HydrophobicContact CG-CB 4.11Å; P188-A305 HydrophobicContact CG-CB 4.48Å; L301-A305 PolarHBondContact O-N 3.33Å; A305-A307 HydrophobicContact CB-CB 3.77Å; A305-A307 PolarHBondContact O-N 3.33Å |
| 306 | A | 65.6 | Low | 75.5 | Confident | 71 Ų | 71 | 57.8 Ų | 57.8 | 59% | 0.587 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.1 | 29.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E304 | E304-A306 PolarHBondContact O-N 3.37Å; E304-A306 VanDerWaalsContact O-N 3.09Å |
| 307 | A | 59 | Low | 74.4 | Confident | 11 Ų | 11 | 63.3 Ų | 63.3 | 9% | 0.091 | 34% | 0.337 | C | S | . | . | trans | -90.9 | 126.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | H181 Y185 A302 A305 | H181-A307 HydrophobicContact CB-CB 4.3Å; Y185-A307 HydrophobicContact CD2-CB 4.24Å; Y185-A307 HydrophobicContact CE2-CB 3.41Å; Y185-A307 VanDerWaalsContact CE2-CB 3.41Å; A302-A307 PolarHBondContact O-N 3.41Å; A305-A307 HydrophobicContact CB-CB 3.77Å; A305-A307 PolarHBondContact O-N 3.33Å | ||
| 308 | H | 59.5 | Low | 73.4 | Confident | 147 Ų | 147 | 67.4 Ų | 67.4 | 68% | 0.681 | 36% | 0.358 | S | S | * | . | trans | -64.5 | 151.4 | 164.8 | -75.9 | 36.1 | 0 | 0 | 0 | 109.1 | S310 | H308-S310 PolarHBondContact O-N 2.9Š| ||
| 309 | E | 60.6 | Low | 72.7 | Confident | 151 Ų | 151 | 67.4 Ų | 67.4 | 71% | 0.706 | 36% | 0.357 | S | S | * | . | trans | -60.7 | 111.8 | 179.2 | -166.3 | 173.7 | -165.5 | 0 | 0 | 109.2 | ||||
| 310 | S | 66.3 | Low | 72.1 | Confident | 13 Ų | 13 | 67 Ų | 67 | 9% | 0.091 | 34% | 0.344 | C | S | . | . | trans | -62.1 | 146.3 | -176.5 | 124 | 0 | 0 | 0 | 0 | 110.8 | D170 H308 A312 T313 S314 | D170-S310 WeakPolarHBondContact OD2-CB 3.21Å; D170-S310 PolarHBondContact OD2-OG 3.38Å; H308-S310 PolarHBondContact O-N 2.9Å; S310-A312 VanDerWaalsContact C-N 3.28Å; S310-A312 PolarHBondContact O-N 2.78Å; S310-A312 PolarHBondContact OG-N 2.74Å; S310-T313 PolarHBondContact O-N 3.38Å; S310-T313 VanDerWaalsContact O-N 3.13Å; S310-T313 PolarHBondContact OG-N 3.46Å; S310-T313 VanDerWaalsContact OG-N 3.11Å; S310-T313 PolarHBondContact OG-OG1 3.26Å; S310-T313 VanDerWaalsContact OG-OG1 3.05Å; S310-S314 PolarHBondContact O-N 3Å; S310-S314 PolarHBondContact O-OG 3.31Å | ||
| 311 | M | 70.4 | Confident | 71.3 | Confident | 71 Ų | 71 | 66.2 Ų | 66.2 | 35% | 0.35 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.9 | -37.8 | 178.7 | -72.9 | -175.7 | -74 | 0 | 0 | 111 | R169 D170 D173 T313 S314 T315 | R169-M311 HydrophobicContact CG-CB 4.34Å; R169-M311 HydrophobicContact CG-CE 4.14Å; D170-M311 WeakPolarHBondContact OD1-CB 3.34Å; D170-M311 PolarHBondContact OD1-N 2.72Å; D170-M311 VanDerWaalsContact OD1-N 3.14Å; D173-M311 VanDerWaalsContact OD2-CE 3.23Å; D173-M311 WeakPolarHBondContact OD2-CE 3.41Å; M311-T313 VanDerWaalsContact C-N 3.26Å; M311-T313 PolarHBondContact O-N 2.84Å; M311-S314 PolarHBondContact O-OG 3.17Å; M311-T315 WeakPolarHBondContact O-CG2 3.39Å; M311-T315 PolarHBondContact O-N 3.19Å; M311-T315 PolarHBondContact O-OG1 3.46Å |
| 312 | A | 67.9 | Low | 70.5 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 3% | 0.025 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.1 | -40.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | H166 D170 P241 S310 T315 F316 | H166-A312 WeakPolarHBondContact O-CB 3.38Å; D170-A312 VanDerWaalsContact OD2-CB 3.31Å; D170-A312 WeakPolarHBondContact OD2-CB 3.43Å; D170-A312 PolarHBondContact OD2-N 2.9Å; P241-A312 HydrophobicContact CB-CB 3.98Å; P241-A312 HydrophobicContact CG-CB 4.35Å; S310-A312 VanDerWaalsContact C-N 3.28Å; S310-A312 PolarHBondContact O-N 2.78Å; S310-A312 PolarHBondContact OG-N 2.74Å; A312-T315 PolarHBondContact O-OG1 3.46Å; A312-F316 WeakPolarHBondContact O-CB 3.47Å; A312-F316 PolarHBondContact O-N 3.04Å |
| 313 | T | 73.9 | Confident | 69.7 | Low | 21 Ų | 21 | 67.2 Ų | 67.2 | 13% | 0.129 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -73 | -46.4 | -178 | -57.8 | 0 | 0 | 0 | 0 | 112.4 | L242 S310 M311 T315 F316 | L242-T313 HydrophobicContact CD1-CG2 4.44Å; L242-T313 WeakPolarHBondContact CD1-OG1 3.41Å; S310-T313 PolarHBondContact O-N 3.38Å; S310-T313 VanDerWaalsContact O-N 3.13Å; S310-T313 PolarHBondContact OG-N 3.46Å; S310-T313 VanDerWaalsContact OG-N 3.11Å; S310-T313 PolarHBondContact OG-OG1 3.26Å; S310-T313 VanDerWaalsContact OG-OG1 3.05Å; M311-T313 VanDerWaalsContact C-N 3.26Å; M311-T313 PolarHBondContact O-N 2.84Å; T313-T315 VanDerWaalsContact C-N 3.34Å; T313-T315 PolarHBondContact O-N 2.94Å; T313-F316 WeakPolarHBondContact O-CB 3.45Å; T313-F316 PolarHBondContact O-N 3.49Å |
| 314 | S | 72.8 | Confident | 69 | Low | 52 Ų | 52 | 62.6 Ų | 62.6 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64 | -38.3 | -178.8 | 55.5 | 0 | 0 | 0 | 0 | 112.3 | S310 M311 F316 | S310-S314 PolarHBondContact O-N 3Å; S310-S314 PolarHBondContact O-OG 3.31Å; M311-S314 PolarHBondContact O-OG 3.17Å; S314-F316 VanDerWaalsContact C-N 3.34Å |
| 315 | T | 74 | Confident | 68.1 | Low | 59 Ų | 59 | 63.9 Ų | 63.9 | 36% | 0.362 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -80.8 | -12.2 | 178 | 59.5 | 0 | 0 | 0 | 0 | 113.7 | M311 A312 T313 K317 D318 F319 | M311-T315 WeakPolarHBondContact O-CG2 3.39Å; M311-T315 PolarHBondContact O-N 3.19Å; M311-T315 PolarHBondContact O-OG1 3.46Å; A312-T315 PolarHBondContact O-OG1 3.46Å; T313-T315 VanDerWaalsContact C-N 3.34Å; T313-T315 PolarHBondContact O-N 2.94Å; T315-K317 PolarHBondContact O-N 2.83Å; T315-D318 PolarHBondContact O-N 3.21Å; T315-F319 WeakPolarHBondContact O-CB 3.49Å; T315-F319 PolarHBondContact O-N 3.46Å |
| 316 | F | 78.3 | Confident | 67.3 | Low | 16 Ų | 16 | 65.3 Ų | 65.3 | 7% | 0.07 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.4 | -37 | -174.6 | -173.1 | -104.1 | 0 | 0 | 0 | 113.5 | C239 H240 P241 A312 T313 S314 D318 F319 E320 | C239-F316 WeakPolarHBondContact O-CZ 3.37Å; H240-F316 HydrophobicContact CB-CE1 4.18Å; H240-F316 HydrophobicContact CB-CZ 4.48Å; H240-F316 AromaticContact CD2-CD1 3.29Å; H240-F316 WeakPolarHBondContact CD2-CD1 3.2Å; H240-F316 AromaticContact CD2-CE1 3.72Å; H240-F316 AromaticContact CD2-CG 3.88Å; H240-F316 AromaticContact NE2-CD1 3.96Å; P241-F316 VanDerWaalsContact CD-CG 3.48Å; P241-F316 HydrophobicContact CG-CB 4.23Å; P241-F316 HydrophobicContact CG-CD2 3.58Å; P241-F316 HydrophobicContact CG-CE2 4.17Å; P241-F316 HydrophobicContact CG-CG 4.06Å; A312-F316 WeakPolarHBondContact O-CB 3.47Å; A312-F316 PolarHBondContact O-N 3.04Å; T313-F316 WeakPolarHBondContact O-CB 3.45Å; T313-F316 PolarHBondContact O-N 3.49Å; S314-F316 VanDerWaalsContact C-N 3.34Å; F316-D318 VanDerWaalsContact C-N 3.3Å; F316-D318 PolarHBondContact O-N 2.91Å; F316-F319 AromaticContact CD2-CD1 3.76Å; F316-F319 HydrophobicContact CD2-CD1 3.76Å; F316-F319 HydrophobicContact CD2-CE1 4.43Å; F316-F319 HydrophobicContact CD2-CG 4.47Å; F316-F319 AromaticContact CE2-CD1 3.66Å; F316-F319 HydrophobicContact CE2-CD1 3.66Å; F316-F319 AromaticContact CE2-CE1 3.96Å; F316-F319 HydrophobicContact CE2-CE1 3.96Å; F316-F319 CarbonylContact O-C 3.35Å; F316-F319 WeakPolarHBondContact O-CB 3.2Å; F316-F319 PolarHBondContact O-N 3.23Å; F316-F319 VanDerWaalsContact O-N 3.15Å; F316-E320 HydrophobicContact CE1-CB 4.33Å; F316-E320 WeakPolarHBondContact O-CB 3.47Å; F316-E320 PolarHBondContact O-N 2.96Å |
| 317 | K | 71.9 | Confident | 66.8 | Low | 147 Ų | 147 | 70 Ų | 70 | 64% | 0.639 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -60.1 | -43.6 | 177.2 | -73 | 179.9 | -179.8 | 170.1 | 0 | 111.3 | T315 F319 E320 L321 | T315-K317 PolarHBondContact O-N 2.83Å; K317-F319 VanDerWaalsContact C-N 3.34Å; K317-E320 PolarHBondContact O-N 3.4Å; K317-L321 WeakPolarHBondContact O-CB 3.29Å; K317-L321 WeakPolarHBondContact O-CG 3.33Å; K317-L321 PolarHBondContact O-N 3.01Å |
| 318 | D | 70.1 | Confident | 66.3 | Low | 114 Ų | 114 | 72.3 Ų | 72.3 | 61% | 0.61 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -66.7 | -38.8 | 176.1 | -69 | -22.5 | 0 | 0 | 0 | 111.4 | T315 F316 A322 | T315-D318 PolarHBondContact O-N 3.21Å; F316-D318 VanDerWaalsContact C-N 3.3Å; F316-D318 PolarHBondContact O-N 2.91Å; D318-A322 WeakPolarHBondContact O-CB 3.32Å; D318-A322 PolarHBondContact O-N 3.28Å |
| 319 | F | 74.3 | Confident | 65.8 | Low | 8 Ų | 8 | 69.7 Ų | 69.7 | 4% | 0.035 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61 | -45 | 174.6 | 172.2 | -90.3 | 0 | 0 | 0 | 112.5 | L68 N69 H166 T315 F316 K317 A322 S323 | L68-F319 VanDerWaalsContact O-CE2 3.29Å; L68-F319 WeakPolarHBondContact O-CE2 3.5Å; N69-F319 HydrophobicContact CB-CD2 4.45Å; N69-F319 HydrophobicContact CB-CE2 3.86Å; N69-F319 HydrophobicContact CB-CZ 4.09Å; N69-F319 PolarHBondContact ND2-O 2.62Å; H166-F319 AromaticContact CD2-CD2 3.69Å; T315-F319 WeakPolarHBondContact O-CB 3.49Å; T315-F319 PolarHBondContact O-N 3.46Å; F316-F319 AromaticContact CD2-CD1 3.76Å; F316-F319 HydrophobicContact CD2-CD1 3.76Å; F316-F319 HydrophobicContact CD2-CE1 4.43Å; F316-F319 HydrophobicContact CD2-CG 4.47Å; F316-F319 AromaticContact CE2-CD1 3.66Å; F316-F319 HydrophobicContact CE2-CD1 3.66Å; F316-F319 AromaticContact CE2-CE1 3.96Å; F316-F319 HydrophobicContact CE2-CE1 3.96Å; F316-F319 CarbonylContact O-C 3.35Å; F316-F319 WeakPolarHBondContact O-CB 3.2Å; F316-F319 PolarHBondContact O-N 3.23Å; F316-F319 VanDerWaalsContact O-N 3.15Å; K317-F319 VanDerWaalsContact C-N 3.34Å; F319-A322 PolarHBondContact O-N 2.86Å; F319-S323 PolarHBondContact O-N 3.14Å |
| 320 | E | 72.7 | Confident | 65.5 | Low | 88 Ų | 88 | 67 Ų | 67 | 41% | 0.411 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.9 | -43.7 | 177.8 | -177.7 | 173.2 | -138.9 | 0 | 0 | 111.9 | R45 F316 K317 A322 S323 T324 | R45-E320 IonicContact NH1-OE1 2.91Å; F316-E320 HydrophobicContact CE1-CB 4.33Å; F316-E320 WeakPolarHBondContact O-CB 3.47Å; F316-E320 PolarHBondContact O-N 2.96Å; K317-E320 PolarHBondContact O-N 3.4Å; E320-A322 VanDerWaalsContact C-N 3.3Å; E320-A322 PolarHBondContact O-N 3.26Å; E320-S323 PolarHBondContact O-N 2.94Å; E320-S323 VanDerWaalsContact O-N 3.14Å; E320-S323 PolarHBondContact O-OG 2.83Å; E320-T324 PolarHBondContact O-N 3.1Å; E320-T324 VanDerWaalsContact O-N 3.14Å |
| 321 | L | 70.3 | Confident | 64.8 | Low | 94 Ų | 94 | 68.9 Ų | 68.9 | 49% | 0.492 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 173.9 | -74.3 | 168.9 | 0 | 0 | 0 | 110.8 | K317 S323 T324 Q325 | K317-L321 WeakPolarHBondContact O-CB 3.29Å; K317-L321 WeakPolarHBondContact O-CG 3.33Å; K317-L321 PolarHBondContact O-N 3.01Å; L321-S323 VanDerWaalsContact C-N 3.29Å; L321-S323 PolarHBondContact O-N 3.1Å; L321-T324 PolarHBondContact O-N 3.25Å; L321-T324 PolarHBondContact O-OG1 3.3Å; L321-Q325 WeakPolarHBondContact O-CG 3.46Å; L321-Q325 PolarHBondContact O-N 3.16Å |
| 322 | A | 67.9 | Low | 63.9 | Low | 44 Ų | 44 | 70.3 Ų | 70.3 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.4 | -33.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | N69 D318 F319 E320 Q325 Q326 | N69-A322 VanDerWaalsContact ND2-C 3.35Å; N69-A322 WeakPolarHBondContact ND2-CB 3.46Å; D318-A322 WeakPolarHBondContact O-CB 3.32Å; D318-A322 PolarHBondContact O-N 3.28Å; F319-A322 PolarHBondContact O-N 2.86Å; E320-A322 VanDerWaalsContact C-N 3.3Å; E320-A322 PolarHBondContact O-N 3.26Å; A322-Q325 CarbonylContact O-C 3.57Å; A322-Q325 PolarHBondContact O-N 2.93Å; A322-Q326 PolarHBondContact O-N 3.02Å |
| 323 | S | 64.7 | Low | 63.2 | Low | 2 Ų | 2 | 79.2 Ų | 79.2 | 1% | 0.014 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -69.5 | -34.6 | 177.6 | 76.1 | 0 | 0 | 0 | 0 | 112.4 | R45 N69 F319 E320 L321 Q325 | R45-S323 VanDerWaalsContact CZ-OG 3.31Å; R45-S323 PolarHBondContact NH1-OG 3.25Å; R45-S323 PolarHBondContact NH2-OG 3.39Å; N69-S323 PolarHBondContact ND2-N 3.36Å; F319-S323 PolarHBondContact O-N 3.14Å; E320-S323 PolarHBondContact O-N 2.94Å; E320-S323 VanDerWaalsContact O-N 3.14Å; E320-S323 PolarHBondContact O-OG 2.83Å; L321-S323 VanDerWaalsContact C-N 3.29Å; L321-S323 PolarHBondContact O-N 3.1Å; S323-Q325 VanDerWaalsContact C-N 3.26Å; S323-Q325 PolarHBondContact O-N 3.01Å |
| 324 | T | 61 | Low | 62.2 | Low | 96 Ų | 96 | 85.5 Ų | 85.5 | 59% | 0.589 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -73.2 | -19.2 | 175.2 | 63.8 | 0 | 0 | 0 | 0 | 113.3 | E320 L321 | E320-T324 PolarHBondContact O-N 3.1Å; E320-T324 VanDerWaalsContact O-N 3.14Å; L321-T324 PolarHBondContact O-N 3.25Å; L321-T324 PolarHBondContact O-OG1 3.3Å |
| 325 | Q | 57.5 | Low | 61.1 | Low | 129 Ų | 129 | 91.1 Ų | 91.1 | 60% | 0.603 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | 22.1 | -175.4 | -63.2 | -177 | 20.7 | 0 | 0 | 113.3 | L321 A322 S323 R327 | L321-Q325 WeakPolarHBondContact O-CG 3.46Å; L321-Q325 PolarHBondContact O-N 3.16Å; A322-Q325 CarbonylContact O-C 3.57Å; A322-Q325 PolarHBondContact O-N 2.93Å; S323-Q325 VanDerWaalsContact C-N 3.26Å; S323-Q325 PolarHBondContact O-N 3.01Å; Q325-R327 PolarHBondContact O-N 3.42Å |
| 326 | Q | 55.1 | Low | 60 | Low | 34 Ų | 34 | 97.6 Ų | 97.6 | 16% | 0.159 | 46% | 0.457 | C | S | . | . | trans | -62.9 | 75.9 | 173.9 | -77.2 | -174 | -39.3 | 0 | 0 | 110.9 | N69 A322 | N69-Q326 WeakPolarHBondContact OD1-CG 3.44Å; N69-Q326 PolarHBondContact OD1-NE2 2.99Å; A322-Q326 PolarHBondContact O-N 3.02Å | ||
| 327 | R | 53.7 | Low | 58.7 | Low | 171 Ų | 171 | 106.1 Ų | 106.1 | 65% | 0.645 | 49% | 0.489 | S | S | * | . | trans | -88.7 | 124.9 | 174.1 | -71.4 | -173 | 179.3 | 171.5 | 1.7 | 108.2 | Q325 D329 T330 | Q325-R327 PolarHBondContact O-N 3.42Å; R327-D329 HydrophobicContact CB-CB 4.4Å; R327-D329 PolarHBondContact O-N 3.38Å; R327-T330 PolarHBondContact O-N 2.98Å; R327-T330 VanDerWaalsContact O-N 3.16Å; R327-T330 PolarHBondContact O-OG1 3.09Å | ||
| 328 | P | 50.3 | Low | 57.5 | Low | 58 Ų | 58 | 104.8 Ų | 104.8 | 38% | 0.377 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -18.6 | 172.8 | 2.4 | -4.7 | 0 | 0 | 0 | 113.1 | D37 T330 V331 L332 | D37-P328 WeakPolarHBondContact OD1-CG 3.48Å; P328-T330 PolarHBondContact O-N 3.27Å; P328-V331 CarbonylContact O-C 3.6Å; P328-V331 WeakPolarHBondContact O-CA 3.38Å; P328-V331 WeakPolarHBondContact O-CB 3.46Å; P328-V331 PolarHBondContact O-N 3.45Å; P328-L332 PolarHBondContact O-N 3.25Å |
| 329 | D | 49.2 | Very low | 56.5 | Low | 93 Ų | 93 | 108.3 Ų | 108.3 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.5 | -27.7 | 176 | -81.6 | -22.8 | 0 | 0 | 0 | 114.2 | R327 R333 | R327-D329 HydrophobicContact CB-CB 4.4Å; R327-D329 PolarHBondContact O-N 3.38Å; D329-R333 WeakPolarHBondContact O-CB 3.37Å; D329-R333 VanDerWaalsContact O-CG 3.24Å; D329-R333 WeakPolarHBondContact O-CG 3.48Å; D329-R333 PolarHBondContact O-N 2.89Å |
| 330 | T | 52.7 | Low | 55.2 | Low | 94 Ų | 94 | 115.7 Ų | 115.7 | 58% | 0.577 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.2 | -38.6 | 172.6 | 54.6 | 0 | 0 | 0 | 0 | 111 | R327 P328 R334 | R327-T330 PolarHBondContact O-N 2.98Å; R327-T330 VanDerWaalsContact O-N 3.16Å; R327-T330 PolarHBondContact O-OG1 3.09Å; P328-T330 PolarHBondContact O-N 3.27Å; T330-R334 WeakPolarHBondContact O-CA 3.28Å; T330-R334 WeakPolarHBondContact O-CB 3.48Å; T330-R334 PolarHBondContact O-N 3.29Å |
| 331 | V | 52.2 | Low | 53.5 | Low | 53 Ų | 53 | 114.1 Ų | 114.1 | 32% | 0.321 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.9 | -38.3 | 174.8 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | P328 R334 R335 | P328-V331 CarbonylContact O-C 3.6Å; P328-V331 WeakPolarHBondContact O-CA 3.38Å; P328-V331 WeakPolarHBondContact O-CB 3.46Å; P328-V331 PolarHBondContact O-N 3.45Å; V331-R334 PolarHBondContact O-N 3.1Å; V331-R335 VanDerWaalsContact O-CB 3.25Å; V331-R335 WeakPolarHBondContact O-CB 3.47Å; V331-R335 WeakPolarHBondContact O-CG 3.48Å; V331-R335 PolarHBondContact O-N 3.36Å |
| 332 | L | 51.4 | Low | 51.5 | Low | 101 Ų | 101 | 114 Ų | 114 | 53% | 0.529 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.4 | -39.5 | 174.7 | -69.9 | 171.8 | 0 | 0 | 0 | 112.4 | P328 R336 | P328-L332 PolarHBondContact O-N 3.25Å; L332-R336 WeakPolarHBondContact O-CB 3.48Å; L332-R336 PolarHBondContact O-N 3.31Å |
| 333 | R | 53.6 | Low | 50.1 | Low | 190 Ų | 190 | 117.7 Ų | 117.7 | 72% | 0.717 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.1 | -35.5 | 171.8 | -78.1 | 177.8 | 165.2 | -173.2 | -3.5 | 111.7 | D329 R336 R337 | D329-R333 WeakPolarHBondContact O-CB 3.37Å; D329-R333 VanDerWaalsContact O-CG 3.24Å; D329-R333 WeakPolarHBondContact O-CG 3.48Å; D329-R333 PolarHBondContact O-N 2.89Å; R333-R336 PolarHBondContact O-N 2.74Å; R333-R337 VanDerWaalsContact O-CB 3.3Å; R333-R337 WeakPolarHBondContact O-CB 3.25Å; R333-R337 WeakPolarHBondContact O-CG 3.46Å; R333-R337 PolarHBondContact O-N 2.61Å |
| 334 | R | 53.2 | Low | 48.6 | Very low | 153 Ų | 153 | 126.4 Ų | 126.4 | 58% | 0.577 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -77.2 | -33.1 | 176.7 | -157.3 | 177.4 | -164.3 | -165.8 | 4.8 | 111.9 | T330 V331 R337 Q338 | T330-R334 WeakPolarHBondContact O-CA 3.28Å; T330-R334 WeakPolarHBondContact O-CB 3.48Å; T330-R334 PolarHBondContact O-N 3.29Å; V331-R334 PolarHBondContact O-N 3.1Å; R334-R337 CarbonylContact O-C 3.44Å; R334-R337 PolarHBondContact O-N 3.02Å; R334-Q338 WeakPolarHBondContact O-CA 3.31Å; R334-Q338 VanDerWaalsContact O-CB 3.23Å; R334-Q338 WeakPolarHBondContact O-CB 3.45Å; R334-Q338 WeakPolarHBondContact O-CG 3.31Å; R334-Q338 PolarHBondContact O-N 2.98Å |
| 335 | R | 49.8 | Very low | 47.1 | Very low | 170 Ų | 170 | 127.6 Ų | 127.6 | 64% | 0.642 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.5 | -38.3 | 166.5 | -86.8 | -173.6 | 171.3 | -173.7 | -0.7 | 111.7 | V331 K339 | V331-R335 VanDerWaalsContact O-CB 3.25Å; V331-R335 WeakPolarHBondContact O-CB 3.47Å; V331-R335 WeakPolarHBondContact O-CG 3.48Å; V331-R335 PolarHBondContact O-N 3.36Å; R335-K339 VanDerWaalsContact O-CB 3.25Å; R335-K339 WeakPolarHBondContact O-CB 3.48Å; R335-K339 PolarHBondContact O-N 3.09Å |
| 336 | R | 50.6 | Low | 45.7 | Very low | 194 Ų | 194 | 127 Ų | 127 | 73% | 0.732 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.3 | -40.9 | 169.3 | -92.9 | -176.8 | 172.4 | 178.7 | -0.6 | 111.5 | L332 R333 Q340 | L332-R336 WeakPolarHBondContact O-CB 3.48Å; L332-R336 PolarHBondContact O-N 3.31Å; R333-R336 PolarHBondContact O-N 2.74Å; R336-Q340 WeakPolarHBondContact O-CB 3.37Å; R336-Q340 VanDerWaalsContact O-CG 3.26Å; R336-Q340 WeakPolarHBondContact O-CG 3.37Å; R336-Q340 PolarHBondContact O-N 2.78Å |
| 337 | R | 50.9 | Low | 44.4 | Very low | 195 Ų | 195 | 132.4 Ų | 132.4 | 74% | 0.736 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -73.3 | -28.4 | 175.4 | -81.8 | -179.4 | 165.4 | -177.9 | -4.5 | 114.1 | R333 R334 Q340 G341 | R333-R337 VanDerWaalsContact O-CB 3.3Å; R333-R337 WeakPolarHBondContact O-CB 3.25Å; R333-R337 WeakPolarHBondContact O-CG 3.46Å; R333-R337 PolarHBondContact O-N 2.61Å; R334-R337 CarbonylContact O-C 3.44Å; R334-R337 PolarHBondContact O-N 3.02Å; R337-Q340 CarbonylContact O-C 3.59Å; R337-Q340 PolarHBondContact O-N 3.42Å; R337-G341 VanDerWaalsContact O-CA 3.22Å; R337-G341 WeakPolarHBondContact O-CA 3.48Å; R337-G341 PolarHBondContact O-N 2.95Å |
| 338 | Q | 47.3 | Very low | 43.1 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 56% | 0.556 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -80.1 | -39.4 | 173.7 | -87.3 | 175.6 | -32.5 | 0 | 0 | 110.4 | R334 Q340 G341 S342 | R334-Q338 WeakPolarHBondContact O-CA 3.31Å; R334-Q338 VanDerWaalsContact O-CB 3.23Å; R334-Q338 WeakPolarHBondContact O-CB 3.45Å; R334-Q338 WeakPolarHBondContact O-CG 3.31Å; R334-Q338 PolarHBondContact O-N 2.98Å; Q338-Q340 PolarHBondContact O-N 3.05Å; Q338-G341 CarbonylContact O-C 3.19Å; Q338-G341 PolarHBondContact O-N 3.46Å; Q338-S342 PolarHBondContact O-N 3.34Å; Q338-S342 PolarHBondContact O-OG 3.39Å |
| 339 | K | 48.6 | Very low | 42.1 | Very low | 189 Ų | 189 | 133.1 Ų | 133.1 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -63.5 | -24.9 | 165.6 | -85.2 | -172.1 | 168 | -174.3 | 0 | 113 | R335 | R335-K339 VanDerWaalsContact O-CB 3.25Å; R335-K339 WeakPolarHBondContact O-CB 3.48Å; R335-K339 PolarHBondContact O-N 3.09Å |
| 340 | Q | 47.3 | Very low | 41.8 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 76% | 0.757 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -3.1 | 170.9 | -77.5 | 174.9 | -18.5 | 0 | 0 | 113.6 | R336 R337 Q338 | R336-Q340 WeakPolarHBondContact O-CB 3.37Å; R336-Q340 VanDerWaalsContact O-CG 3.26Å; R336-Q340 WeakPolarHBondContact O-CG 3.37Å; R336-Q340 PolarHBondContact O-N 2.78Å; R337-Q340 CarbonylContact O-C 3.59Å; R337-Q340 PolarHBondContact O-N 3.42Å; Q338-Q340 PolarHBondContact O-N 3.05Å |
| 341 | G | 36 | Very low | 40.6 | Very low | 55 Ų | 55 | 135.4 Ų | 135.4 | 57% | 0.567 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.3 | -3.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R337 Q338 P343 | R337-G341 VanDerWaalsContact O-CA 3.22Å; R337-G341 WeakPolarHBondContact O-CA 3.48Å; R337-G341 PolarHBondContact O-N 2.95Å; Q338-G341 CarbonylContact O-C 3.19Å; Q338-G341 PolarHBondContact O-N 3.46Å; G341-P343 WeakPolarHBondContact O-CD 3.34Å |
| 342 | S | 29.1 | Very low | 39.3 | Very low | 91 Ų | 91 | 140.5 Ų | 140.5 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -74.7 | 115.8 | 157.6 | -59 | 0 | 0 | 0 | 0 | 108.2 | Q338 E344 | Q338-S342 PolarHBondContact O-N 3.34Å; Q338-S342 PolarHBondContact O-OG 3.39Å; S342-E344 PolarHBondContact O-N 3.13Å |
| 343 | P | 37.4 | Very low | 38.1 | Very low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | trans | -78.9 | 103.2 | 168.4 | 20.8 | -8.5 | 0 | 0 | 0 | 108.4 | G341 | G341-P343 WeakPolarHBondContact O-CD 3.34Š| ||
| 344 | E | 33.6 | Very low | 37 | Very low | 185 Ų | 185 | 138.5 Ų | 138.5 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | trans | -67.9 | 132.1 | 137.3 | -82.8 | -176 | 170.3 | 0 | 0 | 106.4 | S342 S346 | S342-E344 PolarHBondContact O-N 3.13Å; E344-S346 PolarHBondContact O-N 3.2Å | ||
| 345 | S | 28.8 | Very low | 35.7 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -40.3 | 118 | -177 | 52.7 | 0 | 0 | 0 | 0 | 114 | ||
| 346 | S | 29.3 | Very low | 34.9 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -162.7 | 133.7 | 139.2 | 37.9 | 0 | 0 | 0 | 0 | 111.4 | E344 | E344-S346 PolarHBondContact O-N 3.2Š| ||
| 347 | T | 28 | Very low | 34.2 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | trans | -72.6 | 155.5 | -168 | 33.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 348 | A | 27 | Very low | 33.6 | Very low | 90 Ų | 90 | 127.5 Ų | 127.5 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | trans | -49.9 | 136.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 349 | N | 27.4 | Very low | 33.1 | Very low | 154 Ų | 154 | 128.3 Ų | 128.3 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | 42.9 | 157.8 | 113.9 | -71.9 | -12.4 | 0 | 0 | 0 | 120.4 | |||||
| 350 | P | 43.5 | Very low | 32.4 | Very low | 114 Ų | 114 | 123.6 Ų | 123.6 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | cis | -157 | 175 | 34.8 | 48.5 | -27.4 | 0 | 0 | 0 | 121.3 | ||||
| 351 | V | 27.3 | Very low | 32.3 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | 82.6 | 118.8 | 143.6 | -178.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 352 | M | 25.9 | Very low | 32.3 | Very low | 161 Ų | 161 | 136 Ų | 136 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | trans | 34.4 | 139.2 | 140.4 | -62.9 | 172.1 | 62.5 | 0 | 0 | 120 | ||||
| 353 | T | 26.3 | Very low | 32.8 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 68% | 0.681 | 79% | 0.794 | S | S | * | * | cis | -175.4 | 150.9 | 41.2 | 4.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 354 | V | 30.7 | Very low | 32.7 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | trans | 40.5 | 117.9 | 146.9 | -170 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 355 | A | 24.8 | Very low | 32.8 | Very low | 90 Ų | 90 | 141.8 Ų | 141.8 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | 156 | 126.5 | 123 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 356 | Q | 33.2 | Very low | 33.2 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -68.8 | 146.8 | 147 | -81 | -176.2 | -13.4 | 0 | 0 | 107.4 | ||||
| 357 | P | 35 | Very low | 33.6 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | -148.3 | 167.9 | 53.8 | 38.6 | -17.3 | 0 | 0 | 0 | 117 | |||||
| 358 | S | 38.3 | Very low | 34.2 | Very low | 96 Ų | 96 | 138.8 Ų | 138.8 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | trans | 42.3 | 143.6 | 142.1 | 69.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 359 | T | 37 | Very low | 34.7 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 83% | 0.828 | 77% | 0.766 | S | S | * | * | trans | 62.7 | 102.5 | 155.5 | 56.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 360 | A | 33.8 | Very low | 35.3 | Very low | 91 Ų | 91 | 137.1 Ų | 137.1 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | 173.2 | 78.1 | 127.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R362 | A360-R362 PolarHBondContact O-N 3.35Å; A360-R362 VanDerWaalsContact O-N 3.08Å | |||
| 361 | R | 46.8 | Very low | 34.8 | Very low | 248 Ų | 248 | 137.7 Ų | 137.7 | 94% | 0.936 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | 105.6 | 142.1 | -80 | 175.5 | 176.4 | 168.5 | -1.4 | 106.7 | ||
| 362 | R | 35.9 | Very low | 35.6 | Very low | 229 Ų | 229 | 137 Ų | 137 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -175.8 | -9 | 150.2 | -103.3 | 157.4 | -170.4 | -167.2 | 2.4 | 118.5 | A360 | A360-R362 PolarHBondContact O-N 3.35Å; A360-R362 VanDerWaalsContact O-N 3.08Å |
| 363 | F | 38.9 | Very low | 36.4 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 73% | 0.732 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -110.1 | -5.9 | -173.7 | -79.7 | -78.6 | 0 | 0 | 0 | 118.3 | R365 | F363-R365 VanDerWaalsContact C-N 3.27Å; F363-R365 PolarHBondContact O-N 3.23Å |
| 364 | V | 34.6 | Very low | 37.1 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 75% | 0.745 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -9.4 | 179.5 | -175.5 | 0 | 0 | 0 | 0 | 113.2 | L366 | V364-L366 VanDerWaalsContact C-N 3.32Å; V364-L366 PolarHBondContact O-N 3.04Å |
| 365 | R | 36.8 | Very low | 37.6 | Very low | 231 Ų | 231 | 132.2 Ų | 132.2 | 87% | 0.872 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -6.1 | 179.3 | -103.9 | -177.4 | 176.9 | 174.6 | -1.6 | 115.3 | F363 | F363-R365 VanDerWaalsContact C-N 3.27Å; F363-R365 PolarHBondContact O-N 3.23Å |
| 366 | L | 36.4 | Very low | 38.4 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 71% | 0.712 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -15.6 | -179.9 | -84 | 159.5 | 0 | 0 | 0 | 114.5 | V364 | V364-L366 VanDerWaalsContact C-N 3.32Å; V364-L366 PolarHBondContact O-N 3.04Å |
| 367 | A | 37.3 | Very low | 38.9 | Very low | 74 Ų | 74 | 124.5 Ų | 124.5 | 61% | 0.612 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -18.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | M369 | A367-M369 VanDerWaalsContact C-N 3.35Š|
| 368 | V | 41.3 | Very low | 39.2 | Very low | 111 Ų | 111 | 122 Ų | 122 | 67% | 0.673 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -10.6 | -177.8 | -177.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 369 | M | 36.8 | Very low | 39.4 | Very low | 153 Ų | 153 | 120.5 Ų | 120.5 | 75% | 0.754 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -8.7 | 175.2 | -98.5 | 179.1 | 153.3 | 0 | 0 | 114.5 | A367 | A367-M369 VanDerWaalsContact C-N 3.35Š|
| 370 | G | 41.4 | Very low | 39.7 | Very low | 56 Ų | 56 | 120.4 Ų | 120.4 | 58% | 0.577 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -89.4 | -21.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 371 | L | 33.2 | Very low | 40.4 | Very low | 126 Ų | 126 | 119 Ų | 119 | 66% | 0.66 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -96.8 | -10.3 | -173.6 | -92.9 | 157.4 | 0 | 0 | 0 | 114.6 | ||
| 372 | T | 43.7 | Very low | 40.4 | Very low | 106 Ų | 106 | 112 Ų | 112 | 65% | 0.65 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -15.2 | 175.5 | 42.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 373 | V | 42.4 | Very low | 40.9 | Very low | 111 Ų | 111 | 105.8 Ų | 105.8 | 67% | 0.673 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -26.7 | 179 | -179.1 | 0 | 0 | 0 | 0 | 112.4 | ||
| 374 | A | 41.5 | Very low | 41.1 | Very low | 66 Ų | 66 | 103.2 Ų | 103.2 | 55% | 0.545 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -79.7 | -33.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 375 | L | 40.8 | Very low | 41.8 | Very low | 132 Ų | 132 | 101.6 Ų | 101.6 | 69% | 0.691 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -75.5 | -24.9 | 177.2 | -87.3 | 154.7 | 0 | 0 | 0 | 113.2 | A379 | L375-A379 PolarHBondContact O-N 3.37Å |
| 376 | G | 40.6 | Very low | 42 | Very low | 45 Ų | 45 | 94.1 Ų | 94.1 | 46% | 0.464 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71 | -31.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 377 | A | 44.3 | Very low | 42.3 | Very low | 70 Ų | 70 | 93.8 Ų | 93.8 | 58% | 0.579 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -79.1 | -32.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A381 | A377-A381 PolarHBondContact O-N 3.17Å |
| 378 | A | 42.6 | Very low | 42.7 | Very low | 57 Ų | 57 | 98 Ų | 98 | 47% | 0.471 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -73.4 | -35.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L380 A381 V382 | A378-L380 VanDerWaalsContact C-N 3.33Å; A378-L380 PolarHBondContact O-N 2.9Å; A378-A381 PolarHBondContact O-N 2.96Å; A378-V382 WeakPolarHBondContact O-CG2 3.46Å; A378-V382 PolarHBondContact O-N 2.8Å |
| 379 | A | 40.8 | Very low | 42.9 | Very low | 63 Ų | 63 | 103.8 Ų | 103.8 | 52% | 0.521 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.6 | -31.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L375 V383 | L375-A379 PolarHBondContact O-N 3.37Å; A379-V383 WeakPolarHBondContact O-CG2 3.32Å; A379-V383 PolarHBondContact O-N 3.39Å |
| 380 | L | 44 | Very low | 43 | Very low | 133 Ų | 133 | 100.3 Ų | 100.3 | 70% | 0.696 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -77.3 | -27.1 | 179.8 | -136.1 | 131.5 | 0 | 0 | 0 | 112.7 | A378 N384 | A378-L380 VanDerWaalsContact C-N 3.33Å; A378-L380 PolarHBondContact O-N 2.9Å; L380-N384 PolarHBondContact O-N 3.16Å |
| 381 | A | 47.5 | Very low | 42.9 | Very low | 61 Ų | 61 | 103.4 Ų | 103.4 | 50% | 0.504 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -75.1 | -34.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A377 A378 T385 | A377-A381 PolarHBondContact O-N 3.17Å; A378-A381 PolarHBondContact O-N 2.96Å; A381-T385 PolarHBondContact O-N 3.38Å; A381-T385 PolarHBondContact O-OG1 3.03Å; A381-T385 VanDerWaalsContact O-OG1 3.13Å |
| 382 | V | 48 | Very low | 43.2 | Very low | 102 Ų | 102 | 106.6 Ų | 106.6 | 62% | 0.618 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -77.5 | -30.3 | 179.5 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | A378 T385 A386 | A378-V382 WeakPolarHBondContact O-CG2 3.46Å; A378-V382 PolarHBondContact O-N 2.8Å; V382-T385 PolarHBondContact O-OG1 3.36Å; V382-A386 PolarHBondContact O-N 3.42Å |
| 383 | V | 47.1 | Very low | 42.9 | Very low | 98 Ų | 98 | 109.5 Ų | 109.5 | 59% | 0.594 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71.7 | -30.6 | 174.2 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | A379 | A379-V383 WeakPolarHBondContact O-CG2 3.32Å; A379-V383 PolarHBondContact O-N 3.39Å |
| 384 | N | 42.7 | Very low | 42.7 | Very low | 114 Ų | 114 | 111.6 Ų | 111.6 | 61% | 0.61 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -77.8 | -29 | 178.7 | -126.4 | 14.1 | 0 | 0 | 0 | 113.3 | L380 | L380-N384 PolarHBondContact O-N 3.16Å |
| 385 | T | 48.3 | Very low | 42.7 | Very low | 88 Ų | 88 | 116.1 Ų | 116.1 | 54% | 0.54 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -79 | -25 | 175.1 | 38.4 | 0 | 0 | 0 | 0 | 113.5 | A381 V382 L387 | A381-T385 PolarHBondContact O-N 3.38Å; A381-T385 PolarHBondContact O-OG1 3.03Å; A381-T385 VanDerWaalsContact O-OG1 3.13Å; V382-T385 PolarHBondContact O-OG1 3.36Å; T385-L387 VanDerWaalsContact C-N 3.29Å; T385-L387 PolarHBondContact O-N 3.35Å |
| 386 | A | 42 | Very low | 42.6 | Very low | 74 Ų | 74 | 118.6 Ų | 118.6 | 61% | 0.612 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -73 | -19.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V382 | V382-A386 PolarHBondContact O-N 3.42Å |
| 387 | L | 42.2 | Very low | 43 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 68% | 0.681 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -12.3 | 177.3 | -89 | 157.4 | 0 | 0 | 0 | 113.9 | T385 | T385-L387 VanDerWaalsContact C-N 3.29Å; T385-L387 PolarHBondContact O-N 3.35Å |
| 388 | E | 45.5 | Very low | 42.9 | Very low | 162 Ų | 162 | 128.2 Ų | 128.2 | 76% | 0.757 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -7.6 | 179.3 | -75.2 | -173.4 | 159.4 | 0 | 0 | 114.3 | ||
| 389 | W | 44.9 | Very low | 42.9 | Very low | 233 Ų | 233 | 131.9 Ų | 131.9 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | trans | -113.9 | 18.7 | -172.4 | -86 | 55.4 | 0 | 0 | 0 | 115.2 | P391 | W389-P391 WeakPolarHBondContact O-CD 3.41Š| ||
| 390 | A | 39 | Very low | 43.1 | Very low | 79 Ų | 79 | 135.8 Ų | 135.8 | 65% | 0.653 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -83 | 121.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | K392 | A390-K392 PolarHBondContact O-N 2.75Š|
| 391 | P | 39.4 | Very low | 43 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -67 | 128.1 | 170.4 | 24.9 | -30.1 | 0 | 0 | 0 | 110.4 | W389 L393 | W389-P391 WeakPolarHBondContact O-CD 3.41Å; P391-L393 PolarHBondContact O-N 3.27Å |
| 392 | K | 40.7 | Very low | 42.7 | Very low | 192 Ų | 192 | 140.6 Ų | 140.6 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 116.7 | 173.7 | -71.3 | 178.4 | 178.3 | 177.1 | 0 | 109.6 | A390 D394 | A390-K392 PolarHBondContact O-N 2.75Å; K392-D394 PolarHBondContact O-N 3.49Å |
| 393 | L | 36.3 | Very low | 42.4 | Very low | 167 Ų | 167 | 143.2 Ų | 143.2 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | -81.8 | 104.1 | 163.2 | -77.2 | 161.3 | 0 | 0 | 0 | 107.5 | P391 | P391-L393 PolarHBondContact O-N 3.27Š| ||
| 394 | D | 38.4 | Very low | 42 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -78.6 | 127.3 | 166.9 | -80.5 | -30.4 | 0 | 0 | 0 | 109.6 | K392 | K392-D394 PolarHBondContact O-N 3.49Š| ||
| 395 | L | 41.3 | Very low | 42 | Very low | 160 Ų | 160 | 148.9 Ų | 148.9 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -74.5 | 151.6 | 178.9 | -74.8 | 148.4 | 0 | 0 | 0 | 111.4 | ||||
| 396 | F | 39.2 | Very low | 41.4 | Very low | 185 Ų | 185 | 154 Ų | 154 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | -27.5 | 156.4 | 166.4 | -74.4 | -84.2 | 0 | 0 | 0 | 117.2 | ||||
| 397 | P | 48.5 | Very low | 41.4 | Very low | 188 Ų | 188 | 161.3 Ų | 161.3 | 100% | 1.221 | 83% | 0.834 | S | S | * | * | -106.9 | 0 | 75.5 | -9.9 | 28.6 | 0 | 0 | 0 | 115.3 |
Retrieved 397 of 397 residues in 2782.2 ms
(Link to these results)