| 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 | 39.3 | Very low | 34 | Very low | 234 Ų | 234 | 158.8 Ų | 158.8 | 100% | 1.153 | 77% | 0.774 | S | S | * | * | 0 | 79 | 0 | -165.3 | 173.4 | -175.3 | 0 | 0 | 107.9 | |||||
| 2 | Q | 28.2 | Very low | 34.1 | Very low | 196 Ų | 196 | 151.5 Ų | 151.5 | 92% | 0.916 | 75% | 0.751 | S | S | * | * | trans | -97 | 102.6 | -179.6 | -116.1 | 174.7 | -19 | 0 | 0 | 107.1 | R4 | Q2-R4 VanDerWaalsContact C-N 3.35Å; Q2-R4 PolarHBondContact O-N 3.35Å | ||
| 3 | I | 33 | Very low | 34.1 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | trans | -70.9 | 98.7 | 171.2 | -64.5 | 169 | 0 | 0 | 0 | 105.7 | V5 | I3-V5 VanDerWaalsContact C-N 3.35Å; I3-V5 PolarHBondContact O-N 3.35Å | ||
| 4 | R | 29.6 | Very low | 34 | Very low | 238 Ų | 238 | 150.4 Ų | 150.4 | 90% | 0.898 | 73% | 0.732 | S | S | * | * | trans | -71.6 | 94.7 | 175.5 | -162.7 | -174.8 | -84.6 | -170 | -4.2 | 106.7 | Q2 R6 | Q2-R4 VanDerWaalsContact C-N 3.35Å; Q2-R4 PolarHBondContact O-N 3.35Å; R4-R6 PolarHBondContact O-N 3.31Å | ||
| 5 | V | 35.4 | Very low | 33.7 | Very low | 113 Ų | 113 | 149.1 Ų | 149.1 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | trans | -62.4 | 102.5 | 173.1 | -178.1 | 0 | 0 | 0 | 0 | 107.5 | I3 S7 | I3-V5 VanDerWaalsContact C-N 3.35Å; I3-V5 PolarHBondContact O-N 3.35Å; V5-S7 PolarHBondContact O-N 2.82Å | ||
| 6 | R | 34.7 | Very low | 33.6 | Very low | 246 Ų | 246 | 144.8 Ų | 144.8 | 93% | 0.928 | 71% | 0.713 | S | S | * | * | trans | -69.4 | 83.9 | 161.9 | -102.3 | -176.1 | -177.2 | 173.6 | 1.5 | 107.1 | R4 | R4-R6 PolarHBondContact O-N 3.31Š| ||
| 7 | S | 34.4 | Very low | 33.8 | Very low | 84 Ų | 84 | 143.2 Ų | 143.2 | 59% | 0.587 | 70% | 0.702 | S | S | * | * | trans | -125.5 | 101 | 170.2 | 161.9 | 0 | 0 | 0 | 0 | 106.4 | V5 | V5-S7 PolarHBondContact O-N 2.82Š| ||
| 8 | L | 36.8 | Very low | 33.7 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 66% | 0.66 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 162.8 | -8.3 | 139.9 | -87 | 155.4 | 0 | 0 | 0 | 113.9 | N10 L11 | L8-N10 VanDerWaalsContact C-N 3.28Å; L8-N10 PolarHBondContact O-N 3.16Å; L8-L11 PolarHBondContact O-N 3.42Å |
| 9 | D | 35.8 | Very low | 33.6 | Very low | 127 Ų | 127 | 145 Ų | 145 | 68% | 0.679 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -74.6 | -15 | 177.5 | -67.4 | -25.3 | 0 | 0 | 0 | 114 | S12 | D9-S12 PolarHBondContact O-OG 2.86Å; D9-S12 VanDerWaalsContact O-OG 3.11Å |
| 10 | N | 34.8 | Very low | 33.5 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 67% | 0.674 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -78.4 | -17.6 | 175 | -78.5 | -0 | 0 | 0 | 0 | 113 | L8 | L8-N10 VanDerWaalsContact C-N 3.28Å; L8-N10 PolarHBondContact O-N 3.16Å |
| 11 | L | 32.5 | Very low | 33.5 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 60% | 0.602 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -78.7 | -27.1 | 180 | -112.1 | 110.3 | 0 | 0 | 0 | 113.2 | L8 W14 H15 | L8-L11 PolarHBondContact O-N 3.42Å; L11-W14 PolarHBondContact O-N 3.5Å; L11-H15 PolarHBondContact O-N 3.22Å |
| 12 | S | 35.5 | Very low | 33.4 | Very low | 71 Ų | 71 | 133.2 Ų | 133.2 | 50% | 0.497 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -72.8 | -35.8 | 177 | 61.5 | 0 | 0 | 0 | 0 | 111.8 | D9 W14 H15 S16 | D9-S12 PolarHBondContact O-OG 2.86Å; D9-S12 VanDerWaalsContact O-OG 3.11Å; S12-W14 VanDerWaalsContact C-N 3.28Å; S12-W14 PolarHBondContact O-N 3.45Å; S12-H15 PolarHBondContact O-N 2.75Å; S12-S16 PolarHBondContact O-N 3.29Å; S12-S16 PolarHBondContact O-OG 2.95Å |
| 13 | L | 33.6 | Very low | 33.9 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 55% | 0.545 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -59.6 | -37.3 | 171.9 | -100.9 | 147.1 | 0 | 0 | 0 | 112.3 | F17 | L13-F17 PolarHBondContact O-N 2.94Å |
| 14 | W | 32.5 | Very low | 33.9 | Very low | 184 Ų | 184 | 126.6 Ų | 126.6 | 70% | 0.697 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -73.1 | -30.8 | 175.6 | -81.6 | 73.6 | 0 | 0 | 0 | 113.5 | L11 S12 F17 | L11-W14 PolarHBondContact O-N 3.5Å; S12-W14 VanDerWaalsContact C-N 3.28Å; S12-W14 PolarHBondContact O-N 3.45Å; W14-F17 VanDerWaalsContact O-CB 3.32Å; W14-F17 WeakPolarHBondContact O-CB 3.43Å; W14-F17 PolarHBondContact O-N 2.85Å |
| 15 | H | 29.1 | Very low | 34.5 | Very low | 131 Ų | 131 | 122 Ų | 122 | 61% | 0.606 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -74.5 | -34.5 | 175.4 | -105.3 | -76.4 | 0 | 0 | 0 | 112.6 | L11 S12 F17 K18 | L11-H15 PolarHBondContact O-N 3.22Å; S12-H15 PolarHBondContact O-N 2.75Å; H15-F17 PolarHBondContact O-N 3.31Å; H15-K18 PolarHBondContact O-N 3.27Å |
| 16 | S | 33.2 | Very low | 34.7 | Very low | 80 Ų | 80 | 118.6 Ų | 118.6 | 56% | 0.559 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.2 | -27.8 | 171.3 | -59.2 | 0 | 0 | 0 | 0 | 112.5 | S12 K18 | S12-S16 PolarHBondContact O-N 3.29Å; S12-S16 PolarHBondContact O-OG 2.95Å; S16-K18 PolarHBondContact O-N 2.95Å |
| 17 | F | 36.5 | Very low | 34.9 | Very low | 118 Ų | 118 | 113 Ų | 113 | 52% | 0.518 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.5 | -21.7 | 175.1 | -119.1 | -86.2 | 0 | 0 | 0 | 114.1 | L13 W14 H15 V199 | L13-F17 PolarHBondContact O-N 2.94Å; W14-F17 VanDerWaalsContact O-CB 3.32Å; W14-F17 WeakPolarHBondContact O-CB 3.43Å; W14-F17 PolarHBondContact O-N 2.85Å; H15-F17 PolarHBondContact O-N 3.31Å; F17-V199 HydrophobicContact CD1-CG1 4.2Å; F17-V199 HydrophobicContact CE1-CG1 3.4Å; F17-V199 HydrophobicContact CZ-CG1 4.09Å |
| 18 | K | 32.4 | Very low | 35.2 | Very low | 178 Ų | 178 | 114 Ų | 114 | 77% | 0.774 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -14 | -176 | -107.9 | -177.7 | -179.9 | 179.7 | 0 | 114.8 | H15 S16 G20 | H15-K18 PolarHBondContact O-N 3.27Å; S16-K18 PolarHBondContact O-N 2.95Å; K18-G20 PolarHBondContact O-N 3.3Å |
| 19 | L | 31.9 | Very low | 35.5 | Very low | 142 Ų | 142 | 109.4 Ų | 109.4 | 74% | 0.743 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -91.3 | 107.4 | -179.8 | -73.4 | 161.9 | 0 | 0 | 0 | 107.3 | G21 | L19-G21 PolarHBondContact O-N 3.49Š|
| 20 | G | 30.8 | Very low | 35.9 | Very low | 92 Ų | 92 | 105.7 Ų | 105.7 | 95% | 0.948 | 58% | 0.581 | S | S | * | * | trans | -64 | 54.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | K18 | K18-G20 PolarHBondContact O-N 3.3Š| ||
| 21 | G | 33.2 | Very low | 36.2 | Very low | 49 Ų | 49 | 109.2 Ų | 109.2 | 51% | 0.505 | 59% | 0.585 | S | S | . | * | trans | -81.8 | 121.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108 | L19 F23 | L19-G21 PolarHBondContact O-N 3.49Å; G21-F23 PolarHBondContact O-N 3.06Å | ||
| 22 | T | 36.9 | Very low | 36.7 | Very low | 135 Ų | 135 | 108.9 Ų | 108.9 | 83% | 0.828 | 59% | 0.588 | S | S | * | * | trans | -46.6 | 109.5 | 155.7 | 42.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 23 | F | 38.6 | Very low | 37.3 | Very low | 94 Ų | 94 | 108.2 Ų | 108.2 | 41% | 0.412 | 58% | 0.575 | S | S | . | * | trans | -55.4 | 125.9 | -173.9 | -89.8 | -72.4 | 0 | 0 | 0 | 110 | G21 W25 V26 | G21-F23 PolarHBondContact O-N 3.06Å; F23-W25 HydrophobicContact CB-CD2 4.43Å; F23-W25 HydrophobicContact CB-CG 4.25Å; F23-W25 HydrophobicContact CB-CZ2 4.45Å; F23-W25 VanDerWaalsContact CB-NE1 3.26Å; F23-W25 AromaticContact CD1-CD1 3.64Å; F23-W25 AromaticContact CD1-CE2 3.87Å; F23-W25 HydrophobicContact CD1-CZ2 4.35Å; F23-W25 AromaticContact CD1-NE1 2.89Å; F23-W25 HydrophobicContact CD2-CZ2 4.34Å; F23-W25 AromaticContact CE1-NE1 3.65Å; F23-W25 AromaticContact CG-CD1 3.92Å; F23-W25 AromaticContact CG-CE2 3.81Å; F23-W25 HydrophobicContact CG-CZ2 4.15Å; F23-W25 AromaticContact CG-NE1 3.17Å; F23-W25 PolarHBondContact O-N 3.07Å; F23-V26 HydrophobicContact CB-CG2 3.69Å; F23-V26 VanDerWaalsContact O-CB 3.28Å; F23-V26 WeakPolarHBondContact O-CB 3.41Å; F23-V26 WeakPolarHBondContact O-CG2 3.41Å; F23-V26 PolarHBondContact O-N 2.87Å | ||
| 24 | P | 34.7 | Very low | 38 | Very low | 105 Ų | 105 | 110.8 Ų | 110.8 | 68% | 0.682 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -55.3 | -29.6 | -178.9 | -26.8 | 33.1 | 0 | 0 | 0 | 113.7 | V26 | P24-V26 VanDerWaalsContact C-N 3.29Å; P24-V26 PolarHBondContact O-N 2.79Å |
| 25 | W | 40.7 | Very low | 38.6 | Very low | 141 Ų | 141 | 109.2 Ų | 109.2 | 53% | 0.534 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -72.3 | -16.1 | 177.3 | 57.1 | -79.9 | 0 | 0 | 0 | 113.8 | F23 L27 D28 T29 | F23-W25 HydrophobicContact CB-CD2 4.43Å; F23-W25 HydrophobicContact CB-CG 4.25Å; F23-W25 HydrophobicContact CB-CZ2 4.45Å; F23-W25 VanDerWaalsContact CB-NE1 3.26Å; F23-W25 AromaticContact CD1-CD1 3.64Å; F23-W25 AromaticContact CD1-CE2 3.87Å; F23-W25 HydrophobicContact CD1-CZ2 4.35Å; F23-W25 AromaticContact CD1-NE1 2.89Å; F23-W25 HydrophobicContact CD2-CZ2 4.34Å; F23-W25 AromaticContact CE1-NE1 3.65Å; F23-W25 AromaticContact CG-CD1 3.92Å; F23-W25 AromaticContact CG-CE2 3.81Å; F23-W25 HydrophobicContact CG-CZ2 4.15Å; F23-W25 AromaticContact CG-NE1 3.17Å; F23-W25 PolarHBondContact O-N 3.07Å; W25-L27 VanDerWaalsContact C-N 3.28Å; W25-L27 PolarHBondContact O-N 3.33Å; W25-D28 PolarHBondContact O-N 3.15Å; W25-T29 HydrophobicContact CE3-CG2 4.19Å; W25-T29 WeakPolarHBondContact O-CB 3.38Å; W25-T29 WeakPolarHBondContact O-CG2 3.28Å; W25-T29 PolarHBondContact O-N 2.96Å; W25-T29 PolarHBondContact O-OG1 3.18Å |
| 26 | V | 40.1 | Very low | 39.6 | Very low | 43 Ų | 43 | 108.6 Ų | 108.6 | 26% | 0.261 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.8 | -34.6 | 176.5 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | F23 P24 T29 A30 F190 | F23-V26 HydrophobicContact CB-CG2 3.69Å; F23-V26 VanDerWaalsContact O-CB 3.28Å; F23-V26 WeakPolarHBondContact O-CB 3.41Å; F23-V26 WeakPolarHBondContact O-CG2 3.41Å; F23-V26 PolarHBondContact O-N 2.87Å; P24-V26 VanDerWaalsContact C-N 3.29Å; P24-V26 PolarHBondContact O-N 2.79Å; V26-T29 WeakPolarHBondContact CA-OG1 3.49Å; V26-T29 PolarHBondContact O-OG1 2.92Å; V26-A30 WeakPolarHBondContact O-CB 3.46Å; V26-A30 PolarHBondContact O-N 2.94Å; V26-A30 VanDerWaalsContact O-N 3.16Å; V26-F190 HydrophobicContact CG1-CD2 4.02Å |
| 27 | L | 38.3 | Very low | 40.5 | Very low | 127 Ų | 127 | 109.9 Ų | 109.9 | 67% | 0.665 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -77.3 | -39.1 | 175.7 | -90.1 | 136.7 | 0 | 0 | 0 | 112.1 | W25 A30 R31 | W25-L27 VanDerWaalsContact C-N 3.28Å; W25-L27 PolarHBondContact O-N 3.33Å; L27-A30 PolarHBondContact O-N 3.4Å; L27-R31 PolarHBondContact O-N 3.37Å |
| 28 | D | 41.4 | Very low | 41.5 | Very low | 106 Ų | 106 | 107.1 Ų | 107.1 | 57% | 0.567 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.8 | -37.9 | 177 | -78.7 | -22.4 | 0 | 0 | 0 | 111.8 | W25 R31 T32 | W25-D28 PolarHBondContact O-N 3.15Å; D28-R31 PolarHBondContact O-N 3.3Å; D28-T32 PolarHBondContact O-N 2.91Å; D28-T32 PolarHBondContact O-OG1 2.99Å; D28-T32 VanDerWaalsContact O-OG1 3.04Å |
| 29 | T | 43.6 | Very low | 42.9 | Very low | 29 Ų | 29 | 100.6 Ų | 100.6 | 18% | 0.178 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -78.4 | -10.7 | 174.4 | 49.6 | 0 | 0 | 0 | 0 | 114.4 | W25 V26 Y33 | W25-T29 HydrophobicContact CE3-CG2 4.19Å; W25-T29 WeakPolarHBondContact O-CB 3.38Å; W25-T29 WeakPolarHBondContact O-CG2 3.28Å; W25-T29 PolarHBondContact O-N 2.96Å; W25-T29 PolarHBondContact O-OG1 3.18Å; V26-T29 WeakPolarHBondContact CA-OG1 3.49Å; V26-T29 PolarHBondContact O-OG1 2.92Å; T29-Y33 HydrophobicContact CG2-CE2 4.18Å; T29-Y33 WeakPolarHBondContact O-CD2 3.15Å; T29-Y33 WeakPolarHBondContact O-CE2 3.46Å |
| 30 | A | 43.2 | Very low | 45 | Very low | 50 Ų | 50 | 95.3 Ų | 95.3 | 41% | 0.413 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -80.9 | -29.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V26 L27 | V26-A30 WeakPolarHBondContact O-CB 3.46Å; V26-A30 PolarHBondContact O-N 2.94Å; V26-A30 VanDerWaalsContact O-N 3.16Å; L27-A30 PolarHBondContact O-N 3.4Å |
| 31 | R | 41.1 | Very low | 47.3 | Very low | 200 Ų | 200 | 97.2 Ų | 97.2 | 76% | 0.755 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -87.3 | -27.6 | -171.2 | -164.4 | -178.1 | -85 | 168 | -6.5 | 113.8 | L27 D28 Y33 | L27-R31 PolarHBondContact O-N 3.37Å; D28-R31 PolarHBondContact O-N 3.3Å; R31-Y33 VanDerWaalsContact C-N 3.29Å; R31-Y33 PolarHBondContact O-N 3.24Å |
| 32 | T | 43.9 | Very low | 49.3 | Very low | 107 Ų | 107 | 95.9 Ų | 95.9 | 66% | 0.656 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -77.7 | -6.4 | 176.1 | 32.5 | 0 | 0 | 0 | 0 | 114.8 | D28 | D28-T32 PolarHBondContact O-N 2.91Å; D28-T32 PolarHBondContact O-OG1 2.99Å; D28-T32 VanDerWaalsContact O-OG1 3.04Å |
| 33 | Y | 48.4 | Very low | 51.3 | Low | 58 Ų | 58 | 90.8 Ų | 90.8 | 23% | 0.227 | 47% | 0.474 | C | S | . | . | trans | -113.8 | 12.2 | -161.7 | -77.6 | -88.5 | 0 | 0 | 0 | 116.3 | T29 R31 D35 Y285 | T29-Y33 HydrophobicContact CG2-CE2 4.18Å; T29-Y33 WeakPolarHBondContact O-CD2 3.15Å; T29-Y33 WeakPolarHBondContact O-CE2 3.46Å; R31-Y33 VanDerWaalsContact C-N 3.29Å; R31-Y33 PolarHBondContact O-N 3.24Å; Y33-D35 PolarHBondContact O-N 3.43Å; Y33-Y285 HydrophobicContact CD1-CE1 4Å; Y33-Y285 AromaticContact CE1-CD1 3.44Å; Y33-Y285 HydrophobicContact CE1-CD1 3.44Å; Y33-Y285 VanDerWaalsContact CE1-CD1 3.44Å; Y33-Y285 HydrophobicContact CE1-CD2 4.14Å; Y33-Y285 AromaticContact CE1-CE1 3.15Å; Y33-Y285 HydrophobicContact CE1-CE1 3.15Å; Y33-Y285 AromaticContact CE1-CE2 3.93Å; Y33-Y285 HydrophobicContact CE1-CE2 3.93Å; Y33-Y285 AromaticContact CE1-CG 3.91Å; Y33-Y285 HydrophobicContact CE1-CG 3.91Å; Y33-Y285 AromaticContact CE1-CZ 3.42Å; Y33-Y285 VanDerWaalsContact CE1-CZ 3.42Å; Y33-Y285 AromaticContact CZ-CD1 3.82Å; Y33-Y285 AromaticContact CZ-CD2 3.87Å; Y33-Y285 AromaticContact CZ-CE1 3.88Å; Y33-Y285 AromaticContact CZ-CE2 3.97Å; Y33-Y285 AromaticContact CZ-CG 3.78Å; Y33-Y285 AromaticContact CZ-CZ 3.96Å; Y33-Y285 WeakPolarHBondContact OH-CB 3.43Å; Y33-Y285 VanDerWaalsContact OH-CD1 3.32Å; Y33-Y285 WeakPolarHBondContact OH-CD1 3.49Å; Y33-Y285 WeakPolarHBondContact OH-CD2 3.35Å | ||
| 34 | E | 47.5 | Very low | 53.5 | Low | 157 Ų | 157 | 91.6 Ų | 91.6 | 73% | 0.734 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -64 | -17.7 | 173.2 | -78.6 | -176.4 | 160.4 | 0 | 0 | 113 | ||
| 35 | D | 45.4 | Very low | 56 | Low | 151 Ų | 151 | 89.2 Ų | 89.2 | 81% | 0.807 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -115.1 | -12.5 | -164.9 | -72.1 | -34.3 | 0 | 0 | 0 | 117.4 | Y33 | Y33-D35 PolarHBondContact O-N 3.43Š|
| 36 | E | 49.3 | Very low | 58.1 | Low | 118 Ų | 118 | 83.8 Ų | 83.8 | 55% | 0.551 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -101.4 | 124.1 | 179.3 | -74.8 | -161.6 | 167.5 | 0 | 0 | 113.4 | V38 | E36-V38 PolarHBondContact O-N 3.19Å; E36-V38 VanDerWaalsContact O-N 3.13Å |
| 37 | P | 53.1 | Low | 60.4 | Low | 108 Ų | 108 | 83 Ų | 83 | 70% | 0.701 | 44% | 0.439 | S | S | * | . | trans | -67.8 | 115.7 | 177.5 | 27.3 | -31.8 | 0 | 0 | 0 | 109.8 | P39 | P37-P39 WeakPolarHBondContact O-CD 3.41Š| ||
| 38 | V | 57.3 | Low | 62.9 | Low | 59 Ų | 59 | 79.6 Ų | 79.6 | 36% | 0.358 | 43% | 0.429 | S | S | . | . | trans | -55.1 | 128.2 | 167.5 | 179.8 | 0 | 0 | 0 | 0 | 107.7 | E36 M40 Y104 | E36-V38 PolarHBondContact O-N 3.19Å; E36-V38 VanDerWaalsContact O-N 3.13Å; V38-M40 VanDerWaalsContact C-N 3.3Å; V38-M40 WeakPolarHBondContact O-CG 3.48Å; V38-M40 PolarHBondContact O-N 2.83Å; V38-Y104 HydrophobicContact CB-CE2 4.18Å; V38-Y104 HydrophobicContact CG2-CE2 3.98Å | ||
| 39 | P | 62.4 | Low | 65.3 | Low | 41 Ų | 41 | 76.5 Ų | 76.5 | 27% | 0.266 | 41% | 0.414 | S | S | . | . | trans | -70.5 | 84.7 | -176.8 | 26.3 | -34.9 | 0 | 0 | 0 | 111.2 | P37 D41 A42 I289 | P37-P39 WeakPolarHBondContact O-CD 3.41Å; P39-D41 PolarHBondContact O-N 3.46Å; P39-D41 VanDerWaalsContact O-N 3.15Å; P39-A42 PolarHBondContact O-N 3.37Å; P39-I289 HydrophobicContact CG-CG2 3.84Å | ||
| 40 | M | 74.1 | Confident | 67.6 | Low | 32 Ų | 32 | 75.3 Ų | 75.3 | 16% | 0.158 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -19.4 | -179.3 | -64.4 | -61.1 | -88.2 | 0 | 0 | 113.1 | V38 A42 L43 Y44 V101 Y104 | V38-M40 VanDerWaalsContact C-N 3.3Å; V38-M40 WeakPolarHBondContact O-CG 3.48Å; V38-M40 PolarHBondContact O-N 2.83Å; M40-A42 PolarHBondContact O-N 3.01Å; M40-L43 HydrophobicContact CE-CD2 4.1Å; M40-L43 WeakPolarHBondContact O-CB 3.18Å; M40-L43 PolarHBondContact O-N 3.31Å; M40-L43 HydrophobicContact SD-CD2 4.49Å; M40-Y44 HydrophobicContact CB-CD2 4.12Å; M40-Y44 HydrophobicContact CB-CE2 3.78Å; M40-Y44 WeakPolarHBondContact O-CD2 3.24Å; M40-Y44 PolarHBondContact O-N 3.16Å; M40-V101 HydrophobicContact CE-CB 4.14Å; M40-V101 HydrophobicContact CE-CG1 4.31Å; M40-V101 HydrophobicContact CE-CG2 3.77Å; M40-Y104 HydrophobicContact CE-CD1 4.06Å; M40-Y104 HydrophobicContact CE-CG 4.21Å; M40-Y104 HydrophobicContact CG-CD1 4.5Å; M40-Y104 HydrophobicContact CG-CE1 4.46Å; M40-Y104 HydrophobicContact SD-CD1 4.25Å; M40-Y104 HydrophobicContact SD-CG 4.35Å |
| 41 | D | 79.6 | Confident | 70 | Confident | 131 Ų | 131 | 75.2 Ų | 75.2 | 70% | 0.701 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -52.6 | -39.2 | 177.7 | -62.6 | -22.6 | 0 | 0 | 0 | 112.6 | P39 Y44 A45 | P39-D41 PolarHBondContact O-N 3.46Å; P39-D41 VanDerWaalsContact O-N 3.15Å; D41-Y44 PolarHBondContact O-N 3.38Å; D41-A45 WeakPolarHBondContact O-CB 3.23Å; D41-A45 PolarHBondContact O-N 3.18Å |
| 42 | A | 75.6 | Confident | 72.5 | Confident | 21 Ų | 21 | 67.5 Ų | 67.5 | 17% | 0.174 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.4 | -38.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P39 M40 A45 I46 K293 | P39-A42 PolarHBondContact O-N 3.37Å; M40-A42 PolarHBondContact O-N 3.01Å; A42-A45 PolarHBondContact O-N 3.2Å; A42-I46 WeakPolarHBondContact O-CD1 3.42Å; A42-I46 VanDerWaalsContact O-CG1 3.23Å; A42-I46 WeakPolarHBondContact O-CG1 3.36Å; A42-I46 PolarHBondContact O-N 2.97Å; A42-K293 HydrophobicContact CB-CB 3.95Å; A42-K293 HydrophobicContact CB-CD 3.75Å; A42-K293 HydrophobicContact CB-CG 3.44Å; A42-K293 VanDerWaalsContact CB-CG 3.44Å |
| 43 | L | 78.8 | Confident | 74.9 | Confident | 29 Ų | 29 | 62.6 Ų | 62.6 | 15% | 0.152 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 176.3 | -171.7 | 64 | 0 | 0 | 0 | 110.8 | M40 I46 M47 M100 V101 | M40-L43 HydrophobicContact CE-CD2 4.1Å; M40-L43 WeakPolarHBondContact O-CB 3.18Å; M40-L43 PolarHBondContact O-N 3.31Å; M40-L43 HydrophobicContact SD-CD2 4.49Å; L43-I46 PolarHBondContact O-N 3.26Å; L43-M47 HydrophobicContact CG-CE 4.39Å; L43-M47 WeakPolarHBondContact O-CG 3.42Å; L43-M47 PolarHBondContact O-N 2.71Å; L43-M100 HydrophobicContact CD2-CB 3.97Å; L43-V101 HydrophobicContact CD2-CG2 3.63Å; L43-V101 HydrophobicContact CG-CG2 4.46Å |
| 44 | Y | 86 | Confident | 77.1 | Confident | 110 Ų | 110 | 62.7 Ų | 62.7 | 43% | 0.431 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 172.8 | -71.1 | -63.5 | 0 | 0 | 0 | 112.3 | M40 D41 M47 A48 V101 | M40-Y44 HydrophobicContact CB-CD2 4.12Å; M40-Y44 HydrophobicContact CB-CE2 3.78Å; M40-Y44 WeakPolarHBondContact O-CD2 3.24Å; M40-Y44 PolarHBondContact O-N 3.16Å; D41-Y44 PolarHBondContact O-N 3.38Å; Y44-M47 HydrophobicContact CD1-CE 3.38Å; Y44-M47 HydrophobicContact CE1-CE 3.79Å; Y44-M47 HydrophobicContact CG-CE 4.17Å; Y44-M47 PolarHBondContact O-N 2.9Å; Y44-A48 WeakPolarHBondContact O-CB 3.36Å; Y44-A48 PolarHBondContact O-N 3.48Å; Y44-V101 HydrophobicContact CE1-CG2 4.36Å |
| 45 | A | 85.9 | Confident | 79.4 | Confident | 56 Ų | 56 | 60 Ų | 60 | 46% | 0.463 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | D41 A42 A48 V49 | D41-A45 WeakPolarHBondContact O-CB 3.23Å; D41-A45 PolarHBondContact O-N 3.18Å; A42-A45 PolarHBondContact O-N 3.2Å; A45-A48 PolarHBondContact O-N 3.35Å; A45-V49 WeakPolarHBondContact O-CG2 3.32Å; A45-V49 PolarHBondContact O-N 3.37Å |
| 46 | I | 85.1 | Confident | 81.8 | Confident | 27 Ų | 27 | 55 Ų | 55 | 14% | 0.138 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 174.6 | -71 | 161.1 | 0 | 0 | 0 | 110.5 | A42 L43 A48 V49 A50 V93 A296 Y299 | A42-I46 WeakPolarHBondContact O-CD1 3.42Å; A42-I46 VanDerWaalsContact O-CG1 3.23Å; A42-I46 WeakPolarHBondContact O-CG1 3.36Å; A42-I46 PolarHBondContact O-N 2.97Å; L43-I46 PolarHBondContact O-N 3.26Å; I46-A48 VanDerWaalsContact C-N 3.3Å; I46-A48 PolarHBondContact O-N 3.12Å; I46-V49 PolarHBondContact O-N 2.93Å; I46-A50 VanDerWaalsContact O-CB 3.29Å; I46-A50 WeakPolarHBondContact O-CB 3.35Å; I46-A50 PolarHBondContact O-N 3Å; I46-V93 HydrophobicContact CG2-CG1 3.65Å; I46-A296 HydrophobicContact CD1-CB 3.8Å; I46-A296 HydrophobicContact CG1-CB 3.41Å; I46-A296 VanDerWaalsContact CG1-CB 3.41Å; I46-Y299 HydrophobicContact CD1-CE2 4.49Å; I46-Y299 HydrophobicContact CG1-CD2 4.36Å; I46-Y299 HydrophobicContact CG1-CE2 4.39Å; I46-Y299 HydrophobicContact CG2-CD2 3.68Å; I46-Y299 HydrophobicContact CG2-CE2 3.65Å |
| 47 | M | 88.4 | Confident | 83.9 | Confident | 26 Ų | 26 | 49.4 Ų | 49.4 | 13% | 0.128 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.3 | -38.3 | 178.1 | -71.9 | -171.5 | -64.1 | 0 | 0 | 111.8 | L43 Y44 A50 S51 G97 I98 V101 | L43-M47 HydrophobicContact CG-CE 4.39Å; L43-M47 WeakPolarHBondContact O-CG 3.42Å; L43-M47 PolarHBondContact O-N 2.71Å; Y44-M47 HydrophobicContact CD1-CE 3.38Å; Y44-M47 HydrophobicContact CE1-CE 3.79Å; Y44-M47 HydrophobicContact CG-CE 4.17Å; Y44-M47 PolarHBondContact O-N 2.9Å; M47-A50 PolarHBondContact O-N 3.41Å; M47-S51 VanDerWaalsContact O-CB 3.29Å; M47-S51 WeakPolarHBondContact O-CB 3.42Å; M47-S51 PolarHBondContact O-N 3.2Å; M47-S51 PolarHBondContact O-OG 3.28Å; M47-G97 VanDerWaalsContact SD-C 3.54Å; M47-I98 HydrophobicContact SD-CG1 4.27Å; M47-V101 HydrophobicContact CE-CG2 3.94Å |
| 48 | A | 91 | Very high | 85.9 | Confident | 55 Ų | 55 | 45.9 Ų | 45.9 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.6 | -47.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y44 A45 I46 A50 S51 A52 | Y44-A48 WeakPolarHBondContact O-CB 3.36Å; Y44-A48 PolarHBondContact O-N 3.48Å; A45-A48 PolarHBondContact O-N 3.35Å; I46-A48 VanDerWaalsContact C-N 3.3Å; I46-A48 PolarHBondContact O-N 3.12Å; A48-A50 PolarHBondContact O-N 3.19Å; A48-S51 PolarHBondContact O-N 3.14Å; A48-S51 PolarHBondContact O-OG 3.44Å; A48-A52 PolarHBondContact O-N 2.97Å |
| 49 | V | 91.1 | Very high | 87.7 | Confident | 42 Ų | 42 | 45.4 Ų | 45.4 | 26% | 0.255 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 175.9 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | A45 I46 A52 S53 L300 I303 | A45-V49 WeakPolarHBondContact O-CG2 3.32Å; A45-V49 PolarHBondContact O-N 3.37Å; I46-V49 PolarHBondContact O-N 2.93Å; V49-A52 PolarHBondContact O-N 3.23Å; V49-S53 WeakPolarHBondContact O-CB 3.17Å; V49-S53 PolarHBondContact O-N 2.96Å; V49-L300 HydrophobicContact CG1-CD2 3.88Å; V49-I303 HydrophobicContact CG1-CD1 3.86Å |
| 50 | A | 91.7 | Very high | 89.1 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I46 M47 A48 A52 S53 F54 A90 V93 I94 | I46-A50 VanDerWaalsContact O-CB 3.29Å; I46-A50 WeakPolarHBondContact O-CB 3.35Å; I46-A50 PolarHBondContact O-N 3Å; M47-A50 PolarHBondContact O-N 3.41Å; A48-A50 PolarHBondContact O-N 3.19Å; A50-A52 PolarHBondContact O-N 3.37Å; A50-S53 WeakPolarHBondContact O-CB 3.17Å; A50-S53 PolarHBondContact O-N 3.33Å; A50-F54 VanDerWaalsContact O-CB 3.31Å; A50-F54 WeakPolarHBondContact O-CB 3.49Å; A50-F54 PolarHBondContact O-N 2.93Å; A50-A90 WeakPolarHBondContact O-CB 3.47Å; A50-V93 HydrophobicContact CB-CB 4.18Å; A50-V93 HydrophobicContact CB-CG1 3.9Å; A50-I94 HydrophobicContact CB-CD1 4.36Å; A50-I94 HydrophobicContact CB-CG1 3.79Å |
| 51 | S | 93.9 | Very high | 90 | Very high | 48 Ų | 48 | 42.3 Ų | 42.3 | 34% | 0.336 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.4 | -40.7 | 177.2 | 76.1 | 0 | 0 | 0 | 0 | 112.1 | M47 A48 F54 L55 | M47-S51 VanDerWaalsContact O-CB 3.29Å; M47-S51 WeakPolarHBondContact O-CB 3.42Å; M47-S51 PolarHBondContact O-N 3.2Å; M47-S51 PolarHBondContact O-OG 3.28Å; A48-S51 PolarHBondContact O-N 3.14Å; A48-S51 PolarHBondContact O-OG 3.44Å; S51-F54 PolarHBondContact O-N 2.97Å; S51-L55 WeakPolarHBondContact O-CB 3.28Å; S51-L55 VanDerWaalsContact O-CG 3.28Å; S51-L55 WeakPolarHBondContact O-CG 3.23Å; S51-L55 PolarHBondContact O-N 2.89Å |
| 52 | A | 94.1 | Very high | 90.7 | Very high | 38 Ų | 38 | 39.4 Ų | 39.4 | 31% | 0.314 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.3 | -47.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A48 V49 A50 F54 L55 L56 I303 | A48-A52 PolarHBondContact O-N 2.97Å; V49-A52 PolarHBondContact O-N 3.23Å; A50-A52 PolarHBondContact O-N 3.37Å; A52-F54 VanDerWaalsContact C-N 3.34Å; A52-F54 PolarHBondContact O-N 2.86Å; A52-L55 PolarHBondContact O-N 3.26Å; A52-L56 WeakPolarHBondContact O-CB 3.28Å; A52-L56 VanDerWaalsContact O-CG 3.24Å; A52-L56 WeakPolarHBondContact O-CG 3.37Å; A52-L56 PolarHBondContact O-N 3.36Å; A52-I303 HydrophobicContact CB-CD1 4.3Å |
| 53 | S | 93.5 | Very high | 91.5 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.1 | -46.7 | 176.2 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | V49 A50 N57 G302 | V49-S53 WeakPolarHBondContact O-CB 3.17Å; V49-S53 PolarHBondContact O-N 2.96Å; A50-S53 WeakPolarHBondContact O-CB 3.17Å; A50-S53 PolarHBondContact O-N 3.33Å; S53-N57 VanDerWaalsContact O-CB 3.32Å; S53-N57 WeakPolarHBondContact O-CB 3.35Å; S53-N57 PolarHBondContact O-N 3.42Å; S53-N57 PolarHBondContact O-ND2 2.92Å; S53-G302 WeakPolarHBondContact OG-CA 3.48Å |
| 54 | F | 96.1 | Very high | 92 | Very high | 60 Ų | 60 | 37.2 Ų | 37.2 | 26% | 0.263 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.5 | -52.4 | 177.3 | 175.1 | -101.7 | 0 | 0 | 0 | 111.4 | A50 S51 A52 C58 A87 A90 L91 I94 | A50-F54 VanDerWaalsContact O-CB 3.31Å; A50-F54 WeakPolarHBondContact O-CB 3.49Å; A50-F54 PolarHBondContact O-N 2.93Å; S51-F54 PolarHBondContact O-N 2.97Å; A52-F54 VanDerWaalsContact C-N 3.34Å; A52-F54 PolarHBondContact O-N 2.86Å; F54-C58 WeakPolarHBondContact O-CB 3.33Å; F54-C58 PolarHBondContact O-N 3.45Å; F54-C58 PolarHBondContact O-SG 3.46Å; F54-A87 HydrophobicContact CD2-CB 3.98Å; F54-A87 WeakPolarHBondContact CD2-O 3.48Å; F54-A87 HydrophobicContact CE2-CB 4.25Å; F54-A90 HydrophobicContact CB-CB 3.92Å; F54-L91 HydrophobicContact CD2-CB 4.09Å; F54-L91 HydrophobicContact CE2-CB 4.08Å; F54-L91 HydrophobicContact CE2-CD1 4.38Å; F54-L91 HydrophobicContact CE2-CD2 4.37Å; F54-I94 HydrophobicContact CB-CD1 4.21Å |
| 55 | L | 95.3 | Very high | 92.3 | Very high | 100 Ų | 100 | 33.5 Ų | 33.5 | 52% | 0.524 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.6 | -47.7 | -178.7 | -70.6 | 174.3 | 0 | 0 | 0 | 111.9 | S51 A52 N57 C58 L59 | S51-L55 WeakPolarHBondContact O-CB 3.28Å; S51-L55 VanDerWaalsContact O-CG 3.28Å; S51-L55 WeakPolarHBondContact O-CG 3.23Å; S51-L55 PolarHBondContact O-N 2.89Å; A52-L55 PolarHBondContact O-N 3.26Å; L55-N57 PolarHBondContact O-N 2.84Å; L55-C58 PolarHBondContact O-N 3.04Å; L55-L59 WeakPolarHBondContact O-CB 3.45Å; L55-L59 WeakPolarHBondContact O-CG 3.18Å; L55-L59 PolarHBondContact O-N 3.47Å |
| 56 | L | 94.6 | Very high | 92.4 | Very high | 46 Ų | 46 | 36.3 Ų | 36.3 | 24% | 0.241 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.7 | -45.8 | -179.2 | -70.8 | 173.7 | 0 | 0 | 0 | 111.8 | A52 L59 A60 I303 F306 F320 | A52-L56 WeakPolarHBondContact O-CB 3.28Å; A52-L56 VanDerWaalsContact O-CG 3.24Å; A52-L56 WeakPolarHBondContact O-CG 3.37Å; A52-L56 PolarHBondContact O-N 3.36Å; L56-L59 PolarHBondContact O-N 3.29Å; L56-A60 WeakPolarHBondContact O-CB 3.45Å; L56-A60 PolarHBondContact O-N 3.48Å; L56-I303 HydrophobicContact CD1-CG2 4.48Å; L56-F306 HydrophobicContact CB-CB 4.32Å; L56-F306 HydrophobicContact CB-CD1 4.05Å; L56-F306 HydrophobicContact CB-CD2 4.07Å; L56-F306 HydrophobicContact CB-CE1 4.46Å; L56-F306 HydrophobicContact CB-CE2 4.46Å; L56-F306 HydrophobicContact CB-CG 3.85Å; L56-F306 HydrophobicContact CD1-CD1 3.92Å; L56-F306 HydrophobicContact CD1-CE1 4.38Å; L56-F306 HydrophobicContact CD1-CG 4.43Å; L56-F306 HydrophobicContact CD2-CD1 4.05Å; L56-F306 HydrophobicContact CD2-CE1 3.73Å; L56-F306 HydrophobicContact CD2-CZ 4.03Å; L56-F306 HydrophobicContact CG-CD1 4.23Å; L56-F306 HydrophobicContact CG-CE1 4.42Å; L56-F320 HydrophobicContact CD2-CZ 4.23Å |
| 57 | N | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.7 | -37.5 | -179.4 | -77.8 | -76.4 | 0 | 0 | 0 | 112.4 | S53 L55 A60 A61 C83 A87 G302 | S53-N57 VanDerWaalsContact O-CB 3.32Å; S53-N57 WeakPolarHBondContact O-CB 3.35Å; S53-N57 PolarHBondContact O-N 3.42Å; S53-N57 PolarHBondContact O-ND2 2.92Å; L55-N57 PolarHBondContact O-N 2.84Å; N57-A60 PolarHBondContact O-N 3.28Å; N57-A61 WeakPolarHBondContact O-CB 3.46Å; N57-A61 PolarHBondContact O-N 2.91Å; N57-C83 HydrophobicContact CB-CB 4.41Å; N57-C83 WeakPolarHBondContact CB-O 3.45Å; N57-A87 HydrophobicContact CB-CB 4.41Å; N57-G302 PolarHBondContact ND2-O 2.92Å |
| 58 | C | 95.3 | Very high | 92.4 | Very high | 34 Ų | 34 | 42.5 Ų | 42.5 | 23% | 0.23 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.5 | -47.8 | 171.7 | -80.2 | 0 | 0 | 0 | 0 | 111.7 | F54 L55 A60 A61 V62 | F54-C58 WeakPolarHBondContact O-CB 3.33Å; F54-C58 PolarHBondContact O-N 3.45Å; F54-C58 PolarHBondContact O-SG 3.46Å; L55-C58 PolarHBondContact O-N 3.04Å; C58-A60 VanDerWaalsContact C-N 3.32Å; C58-A60 PolarHBondContact O-N 3.26Å; C58-A61 PolarHBondContact O-N 3.09Å; C58-V62 WeakPolarHBondContact O-CB 3.34Å; C58-V62 VanDerWaalsContact O-CG2 3.28Å; C58-V62 WeakPolarHBondContact O-CG2 3.38Å; C58-V62 PolarHBondContact O-N 3.3Å |
| 59 | L | 94.4 | Very high | 92.2 | Very high | 49 Ų | 49 | 47.4 Ų | 47.4 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 177.6 | -72.7 | 173.5 | 0 | 0 | 0 | 111.7 | L55 L56 G63 F320 L323 L327 | L55-L59 WeakPolarHBondContact O-CB 3.45Å; L55-L59 WeakPolarHBondContact O-CG 3.18Å; L55-L59 PolarHBondContact O-N 3.47Å; L56-L59 PolarHBondContact O-N 3.29Å; L59-G63 PolarHBondContact O-N 3.15Å; L59-F320 HydrophobicContact CB-CD2 4.2Å; L59-F320 HydrophobicContact CB-CE2 3.6Å; L59-F320 HydrophobicContact CD1-CE2 4.3Å; L59-F320 HydrophobicContact CD1-CZ 4.5Å; L59-L323 HydrophobicContact CB-CD2 4.28Å; L59-L323 HydrophobicContact CD2-CD2 3.83Å; L59-L323 VanDerWaalsContact O-CD2 3.23Å; L59-L323 WeakPolarHBondContact O-CD2 3.46Å; L59-L327 HydrophobicContact CD2-CD1 3.64Å |
| 60 | A | 91.9 | Very high | 91.7 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -48.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L56 N57 C58 G63 I64 F306 | L56-A60 WeakPolarHBondContact O-CB 3.45Å; L56-A60 PolarHBondContact O-N 3.48Å; N57-A60 PolarHBondContact O-N 3.28Å; C58-A60 VanDerWaalsContact C-N 3.32Å; C58-A60 PolarHBondContact O-N 3.26Å; A60-G63 PolarHBondContact O-N 2.9Å; A60-I64 VanDerWaalsContact O-CG1 3.32Å; A60-I64 WeakPolarHBondContact O-CG1 3.47Å; A60-I64 PolarHBondContact O-N 3Å; A60-F306 HydrophobicContact CB-CD2 3.9Å; A60-F306 HydrophobicContact CB-CE2 3.96Å |
| 61 | A | 93.8 | Very high | 91.3 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N57 C58 G63 I64 A65 M80 C83 L84 | N57-A61 WeakPolarHBondContact O-CB 3.46Å; N57-A61 PolarHBondContact O-N 2.91Å; C58-A61 PolarHBondContact O-N 3.09Å; A61-G63 VanDerWaalsContact C-N 3.34Å; A61-G63 PolarHBondContact O-N 3.36Å; A61-I64 PolarHBondContact O-N 3Å; A61-A65 VanDerWaalsContact O-CB 3.28Å; A61-A65 WeakPolarHBondContact O-CB 3.5Å; A61-A65 PolarHBondContact O-N 3.29Å; A61-M80 HydrophobicContact CB-CG 4.12Å; A61-C83 HydrophobicContact CB-CB 4.15Å; A61-L84 HydrophobicContact CB-CD2 3.81Å; A61-L84 HydrophobicContact CB-CG 3.93Å |
| 62 | V | 94 | Very high | 90.7 | Very high | 70 Ų | 70 | 56.9 Ų | 56.9 | 42% | 0.424 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 175.8 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | C58 I64 A65 L66 L323 | C58-V62 WeakPolarHBondContact O-CB 3.34Å; C58-V62 VanDerWaalsContact O-CG2 3.28Å; C58-V62 WeakPolarHBondContact O-CG2 3.38Å; C58-V62 PolarHBondContact O-N 3.3Å; V62-I64 VanDerWaalsContact C-N 3.33Å; V62-I64 PolarHBondContact O-N 3Å; V62-A65 PolarHBondContact O-N 2.6Å; V62-A65 VanDerWaalsContact O-N 3.17Å; V62-L66 HydrophobicContact CG1-CD1 3.84Å; V62-L66 HydrophobicContact CG1-CG 4.22Å; V62-L66 VanDerWaalsContact O-CG 3.29Å; V62-L66 WeakPolarHBondContact O-CG 3.45Å; V62-L66 PolarHBondContact O-N 3.05Å; V62-L323 HydrophobicContact CB-CD2 4.11Å; V62-L323 HydrophobicContact CG1-CD1 4.13Å; V62-L323 HydrophobicContact CG1-CD2 3.92Å |
| 63 | G | 91.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L59 A60 A61 | L59-G63 PolarHBondContact O-N 3.15Å; A60-G63 PolarHBondContact O-N 2.9Å; A61-G63 VanDerWaalsContact C-N 3.34Å; A61-G63 PolarHBondContact O-N 3.36Å |
| 64 | I | 90.2 | Very high | 89.6 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.9 | -43.6 | 174.7 | -64.4 | 165.3 | 0 | 0 | 0 | 110.7 | A60 A61 V62 L66 Q67 L70 F76 I79 M80 I316 | A60-I64 VanDerWaalsContact O-CG1 3.32Å; A60-I64 WeakPolarHBondContact O-CG1 3.47Å; A60-I64 PolarHBondContact O-N 3Å; A61-I64 PolarHBondContact O-N 3Å; V62-I64 VanDerWaalsContact C-N 3.33Å; V62-I64 PolarHBondContact O-N 3Å; I64-L66 VanDerWaalsContact C-N 3.33Å; I64-L66 PolarHBondContact O-N 2.78Å; I64-Q67 PolarHBondContact O-N 2.84Å; I64-Q67 VanDerWaalsContact O-N 3.14Å; I64-L70 HydrophobicContact CG2-CB 4.27Å; I64-F76 HydrophobicContact CG2-CB 4.19Å; I64-I79 HydrophobicContact CD1-CG2 4.06Å; I64-M80 HydrophobicContact CB-CB 4.39Å; I64-M80 HydrophobicContact CD1-CB 4.42Å; I64-M80 HydrophobicContact CG2-CB 4.03Å; I64-M80 HydrophobicContact CG2-CG 4.47Å; I64-I316 HydrophobicContact CD1-CD1 4.42Å; I64-I316 HydrophobicContact CD1-CG1 4.38Å |
| 65 | A | 90.9 | Very high | 88.9 | Confident | 33 Ų | 33 | 56.6 Ų | 56.6 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.5 | -37.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A61 V62 Q67 R71 M80 | A61-A65 VanDerWaalsContact O-CB 3.28Å; A61-A65 WeakPolarHBondContact O-CB 3.5Å; A61-A65 PolarHBondContact O-N 3.29Å; V62-A65 PolarHBondContact O-N 2.6Å; V62-A65 VanDerWaalsContact O-N 3.17Å; A65-Q67 VanDerWaalsContact C-N 3.26Å; A65-Q67 PolarHBondContact O-N 2.96Å; A65-R71 PolarHBondContact O-NH1 3.18Å; A65-M80 HydrophobicContact CB-SD 3.93Å |
| 66 | L | 89.4 | Confident | 88.4 | Confident | 114 Ų | 114 | 52.1 Ų | 52.1 | 60% | 0.597 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -67.9 | -25.2 | 177.6 | -71 | 171 | 0 | 0 | 0 | 112.6 | V62 I64 K68 L323 | V62-L66 HydrophobicContact CG1-CD1 3.84Å; V62-L66 HydrophobicContact CG1-CG 4.22Å; V62-L66 VanDerWaalsContact O-CG 3.29Å; V62-L66 WeakPolarHBondContact O-CG 3.45Å; V62-L66 PolarHBondContact O-N 3.05Å; I64-L66 VanDerWaalsContact C-N 3.33Å; I64-L66 PolarHBondContact O-N 2.78Å; L66-K68 PolarHBondContact O-N 3.01Å; L66-L323 HydrophobicContact CD1-CD1 3.67Å |
| 67 | Q | 88.2 | Confident | 88.1 | Confident | 54 Ų | 54 | 52.5 Ų | 52.5 | 25% | 0.252 | 25% | 0.249 | S | C | . | . | trans | -87.4 | 100.9 | 179.3 | -66.8 | -157.2 | 2.8 | 0 | 0 | 112.7 | I64 A65 K69 L70 R71 S319 | I64-Q67 PolarHBondContact O-N 2.84Å; I64-Q67 VanDerWaalsContact O-N 3.14Å; A65-Q67 VanDerWaalsContact C-N 3.26Å; A65-Q67 PolarHBondContact O-N 2.96Å; Q67-K69 PolarHBondContact O-N 2.83Å; Q67-K69 VanDerWaalsContact O-N 3.1Å; Q67-L70 HydrophobicContact CB-CB 4.03Å; Q67-L70 HydrophobicContact CB-CD1 3.89Å; Q67-L70 HydrophobicContact CB-CG 3.81Å; Q67-L70 HydrophobicContact CG-CD1 4.28Å; Q67-L70 PolarHBondContact O-N 3.46Å; Q67-R71 PolarHBondContact O-N 3.33Å; Q67-S319 VanDerWaalsContact NE2-CA 3.31Å; Q67-S319 PolarHBondContact NE2-OG 2.98Å; Q67-S319 PolarHBondContact OE1-OG 3.42Å; Q67-S319 VanDerWaalsContact OE1-OG 3.09Å | ||
| 68 | K | 85.5 | Confident | 87.7 | Confident | 130 Ų | 130 | 52.8 Ų | 52.8 | 57% | 0.565 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -53.7 | -33.8 | 177.5 | -168.9 | 175.9 | -177.4 | 176.4 | 0 | 113.7 | L66 R72 | L66-K68 PolarHBondContact O-N 3.01Å; K68-R72 WeakPolarHBondContact O-CG 3.45Å; K68-R72 PolarHBondContact O-N 3.35Å |
| 69 | K | 85.6 | Confident | 87.4 | Confident | 157 Ų | 157 | 51.3 Ų | 51.3 | 68% | 0.683 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -69.4 | -38.7 | 177.9 | -172.6 | 178.5 | 178.8 | -178.1 | 0 | 112.1 | Q67 | Q67-K69 PolarHBondContact O-N 2.83Å; Q67-K69 VanDerWaalsContact O-N 3.1Å |
| 70 | L | 81.8 | Confident | 87.2 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -73.2 | -44.2 | 177.8 | -61.7 | -174.8 | 0 | 0 | 0 | 111 | I64 Q67 R72 K73 F76 E315 S319 | I64-L70 HydrophobicContact CG2-CB 4.27Å; Q67-L70 HydrophobicContact CB-CB 4.03Å; Q67-L70 HydrophobicContact CB-CD1 3.89Å; Q67-L70 HydrophobicContact CB-CG 3.81Å; Q67-L70 HydrophobicContact CG-CD1 4.28Å; Q67-L70 PolarHBondContact O-N 3.46Å; L70-R72 PolarHBondContact O-N 3.34Å; L70-R72 VanDerWaalsContact O-N 3.07Å; L70-K73 WeakPolarHBondContact O-CB 3.31Å; L70-K73 PolarHBondContact O-N 2.92Å; L70-F76 HydrophobicContact CB-CB 4.16Å; L70-F76 HydrophobicContact CB-CD1 4.47Å; L70-F76 HydrophobicContact CB-CG 4.2Å; L70-F76 HydrophobicContact CD1-CD1 4.4Å; L70-F76 HydrophobicContact CD2-CD1 4.13Å; L70-F76 HydrophobicContact CD2-CD2 4.18Å; L70-F76 HydrophobicContact CD2-CE1 4.09Å; L70-F76 HydrophobicContact CD2-CE2 4.13Å; L70-F76 HydrophobicContact CD2-CG 4.17Å; L70-F76 HydrophobicContact CD2-CZ 4.09Å; L70-F76 WeakPolarHBondContact O-CB 3.42Å; L70-E315 HydrophobicContact CD2-CB 4.02Å; L70-E315 HydrophobicContact CD2-CG 4.42Å; L70-E315 WeakPolarHBondContact CD2-OE2 3.15Å; L70-S319 VanDerWaalsContact CD1-OG 3.28Å; L70-S319 WeakPolarHBondContact CD1-OG 3.45Å |
| 71 | R | 82.3 | Confident | 87.3 | Confident | 123 Ų | 123 | 50.8 Ų | 50.8 | 46% | 0.464 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.3 | -25.8 | 179.9 | -168.4 | 169.6 | 66.4 | -142.3 | 9.8 | 114.3 | A65 Q67 K73 | A65-R71 PolarHBondContact O-NH1 3.18Å; Q67-R71 PolarHBondContact O-N 3.33Å; R71-K73 VanDerWaalsContact C-N 3.31Å |
| 72 | R | 81 | Confident | 87.2 | Confident | 167 Ų | 167 | 50.8 Ų | 50.8 | 63% | 0.63 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -15.8 | 175.9 | -75.6 | -179.8 | 176 | -172.9 | -2.2 | 113.8 | K68 L70 | K68-R72 WeakPolarHBondContact O-CG 3.45Å; K68-R72 PolarHBondContact O-N 3.35Å; L70-R72 PolarHBondContact O-N 3.34Å; L70-R72 VanDerWaalsContact O-N 3.07Å |
| 73 | K | 82.2 | Confident | 87.1 | Confident | 63 Ų | 63 | 47.5 Ų | 47.5 | 27% | 0.274 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -93.6 | 117.6 | 178.1 | -65.9 | 177.8 | -178 | 178.4 | 0 | 108.7 | L70 R71 T75 F76 F77 E315 | L70-K73 WeakPolarHBondContact O-CB 3.31Å; L70-K73 PolarHBondContact O-N 2.92Å; R71-K73 VanDerWaalsContact C-N 3.31Å; K73-T75 PolarHBondContact O-N 3.18Å; K73-T75 VanDerWaalsContact O-N 3.1Å; K73-F76 HydrophobicContact CB-CD2 3.76Å; K73-F76 HydrophobicContact CD-CD2 3.5Å; K73-F76 HydrophobicContact CD-CE2 3.54Å; K73-F76 HydrophobicContact CG-CD2 4.28Å; K73-F76 PolarHBondContact O-N 3.11Å; K73-F77 PolarHBondContact O-N 2.93Å; K73-E315 VanDerWaalsContact NZ-CD 3.35Å; K73-E315 IonicContact NZ-OE1 2.84Å; K73-E315 PolarHBondContact NZ-OE1 2.95Å; K73-E315 IonicContact NZ-OE2 2.6Å; K73-E315 PolarHBondContact NZ-OE2 2.93Å |
| 74 | N | 82.6 | Confident | 87.3 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 6% | 0.059 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -48 | -41.7 | 177.9 | -74.4 | 9.3 | 0 | 0 | 0 | 113 | F76 F77 I78 R158 V162 | N74-F76 PolarHBondContact O-N 3.4Å; N74-F77 WeakPolarHBondContact O-CB 3.47Å; N74-F77 PolarHBondContact O-N 2.91Å; N74-I78 WeakPolarHBondContact O-CG1 3.49Å; N74-I78 PolarHBondContact O-N 3.44Å; N74-R158 PolarHBondContact ND2-O 3.47Å; N74-V162 HydrophobicContact CB-CG2 4.18Å |
| 75 | T | 81.3 | Confident | 87.5 | Confident | 23 Ų | 23 | 50.3 Ų | 50.3 | 14% | 0.141 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -49.5 | -54.1 | 174.2 | -58.9 | 0 | 0 | 0 | 0 | 113.8 | K73 F77 I78 I79 R143 L254 | K73-T75 PolarHBondContact O-N 3.18Å; K73-T75 VanDerWaalsContact O-N 3.1Å; T75-F77 VanDerWaalsContact C-N 3.3Å; T75-I78 PolarHBondContact O-N 3.49Å; T75-I79 HydrophobicContact CG2-CD1 3.91Å; T75-I79 WeakPolarHBondContact O-CG1 3.17Å; T75-I79 PolarHBondContact O-N 2.94Å; T75-R143 VanDerWaalsContact OG1-CZ 3.3Å; T75-R143 PolarHBondContact OG1-NH1 3.03Å; T75-R143 PolarHBondContact OG1-NH2 3.23Å; T75-L254 HydrophobicContact CG2-CD1 3.96Å; T75-L254 HydrophobicContact CG2-CD2 3.41Å; T75-L254 VanDerWaalsContact CG2-CD2 3.41Å; T75-L254 HydrophobicContact CG2-CG 4.29Å |
| 76 | F | 85.2 | Confident | 87.6 | Confident | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -73.6 | -29.4 | -174.7 | -75.8 | -83.6 | 0 | 0 | 0 | 111.3 | I64 L70 K73 N74 M80 T313 E315 I316 | I64-F76 HydrophobicContact CG2-CB 4.19Å; L70-F76 HydrophobicContact CB-CB 4.16Å; L70-F76 HydrophobicContact CB-CD1 4.47Å; L70-F76 HydrophobicContact CB-CG 4.2Å; L70-F76 HydrophobicContact CD1-CD1 4.4Å; L70-F76 HydrophobicContact CD2-CD1 4.13Å; L70-F76 HydrophobicContact CD2-CD2 4.18Å; L70-F76 HydrophobicContact CD2-CE1 4.09Å; L70-F76 HydrophobicContact CD2-CE2 4.13Å; L70-F76 HydrophobicContact CD2-CG 4.17Å; L70-F76 HydrophobicContact CD2-CZ 4.09Å; L70-F76 WeakPolarHBondContact O-CB 3.42Å; K73-F76 HydrophobicContact CB-CD2 3.76Å; K73-F76 HydrophobicContact CD-CD2 3.5Å; K73-F76 HydrophobicContact CD-CE2 3.54Å; K73-F76 HydrophobicContact CG-CD2 4.28Å; K73-F76 PolarHBondContact O-N 3.11Å; N74-F76 PolarHBondContact O-N 3.4Å; F76-M80 VanDerWaalsContact O-CB 3.3Å; F76-M80 WeakPolarHBondContact O-CB 3.22Å; F76-M80 PolarHBondContact O-N 3.46Å; F76-T313 HydrophobicContact CE1-CG2 4.06Å; F76-T313 HydrophobicContact CZ-CG2 4.3Å; F76-E315 HydrophobicContact CE1-CB 4.2Å; F76-E315 WeakPolarHBondContact CE2-OE2 3.4Å; F76-E315 HydrophobicContact CZ-CB 4.1Å; F76-E315 HydrophobicContact CZ-CG 4.49Å; F76-E315 WeakPolarHBondContact CZ-OE2 3.42Å; F76-I316 HydrophobicContact CD1-CG1 4.38Å; F76-I316 HydrophobicContact CE1-CD1 4.36Å; F76-I316 HydrophobicContact CE1-CG1 4Å |
| 77 | F | 87.6 | Confident | 87.9 | Confident | 54 Ų | 54 | 43.8 Ų | 43.8 | 24% | 0.237 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 170.8 | -173.3 | -96.7 | 0 | 0 | 0 | 111.5 | K73 N74 T75 M80 L81 V162 | K73-F77 PolarHBondContact O-N 2.93Å; N74-F77 WeakPolarHBondContact O-CB 3.47Å; N74-F77 PolarHBondContact O-N 2.91Å; T75-F77 VanDerWaalsContact C-N 3.3Å; F77-M80 HydrophobicContact CD2-CE 3.63Å; F77-M80 HydrophobicContact CE2-CE 3.55Å; F77-M80 HydrophobicContact CG-CE 4.44Å; F77-M80 HydrophobicContact CZ-CE 4.32Å; F77-M80 WeakPolarHBondContact O-CB 3.37Å; F77-M80 PolarHBondContact O-N 3.16Å; F77-L81 HydrophobicContact CD1-CD1 3.71Å; F77-L81 HydrophobicContact CD1-CG 4.38Å; F77-L81 HydrophobicContact CE1-CD1 3.45Å; F77-L81 VanDerWaalsContact CE1-CD1 3.45Å; F77-L81 HydrophobicContact CE1-CD2 4.49Å; F77-L81 HydrophobicContact CE1-CG 4.13Å; F77-L81 HydrophobicContact CZ-CD1 4.26Å; F77-L81 WeakPolarHBondContact O-CG 3.39Å; F77-L81 PolarHBondContact O-N 2.94Å; F77-V162 HydrophobicContact CD1-CG1 3.3Å; F77-V162 HydrophobicContact CE1-CG1 3.15Å; F77-V162 HydrophobicContact CG-CG1 4.34Å; F77-V162 HydrophobicContact CZ-CG1 4.12Å |
| 78 | I | 87.6 | Confident | 88.2 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.6 | -42.7 | 176.6 | -59 | 165 | 0 | 0 | 0 | 111.3 | N74 T75 M80 L81 T82 T139 D142 | N74-I78 WeakPolarHBondContact O-CG1 3.49Å; N74-I78 PolarHBondContact O-N 3.44Å; T75-I78 PolarHBondContact O-N 3.49Å; I78-M80 VanDerWaalsContact C-N 3.28Å; I78-M80 PolarHBondContact O-N 2.86Å; I78-L81 WeakPolarHBondContact O-CB 3.45Å; I78-L81 PolarHBondContact O-N 3.35Å; I78-T82 PolarHBondContact O-N 3.08Å; I78-T82 PolarHBondContact O-OG1 3.33Å; I78-T82 VanDerWaalsContact O-OG1 3.12Å; I78-T139 WeakPolarHBondContact CG2-OG1 3.45Å; I78-D142 HydrophobicContact CD1-CB 4.43Å |
| 79 | I | 87.9 | Confident | 88.6 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.1 | -42.5 | 174.7 | -67.7 | 167 | 0 | 0 | 0 | 111.3 | I64 T75 L81 T82 C83 L254 Y309 I316 | I64-I79 HydrophobicContact CD1-CG2 4.06Å; T75-I79 HydrophobicContact CG2-CD1 3.91Å; T75-I79 WeakPolarHBondContact O-CG1 3.17Å; T75-I79 PolarHBondContact O-N 2.94Å; I79-L81 VanDerWaalsContact C-N 3.3Å; I79-L81 PolarHBondContact O-N 3.43Å; I79-T82 WeakPolarHBondContact O-CB 3.44Å; I79-T82 PolarHBondContact O-N 2.91Å; I79-C83 PolarHBondContact O-N 3.35Å; I79-C83 PolarHBondContact O-SG 2.89Å; I79-L254 HydrophobicContact CD1-CD1 3.98Å; I79-Y309 HydrophobicContact CD1-CE1 4.41Å; I79-Y309 HydrophobicContact CG1-CE1 4.33Å; I79-Y309 HydrophobicContact CG2-CD1 4.4Å; I79-Y309 HydrophobicContact CG2-CD2 4.21Å; I79-Y309 HydrophobicContact CG2-CE1 4.17Å; I79-Y309 HydrophobicContact CG2-CE2 3.92Å; I79-Y309 HydrophobicContact CG2-CG 4.45Å; I79-I316 HydrophobicContact CG2-CD1 4.12Å |
| 80 | M | 91.6 | Very high | 89 | Confident | 22 Ų | 22 | 33.9 Ų | 33.9 | 11% | 0.108 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.7 | -41.7 | 175.9 | -179.4 | -166.6 | 74.9 | 0 | 0 | 111.4 | A61 I64 A65 F76 F77 I78 C83 L84 | A61-M80 HydrophobicContact CB-CG 4.12Å; I64-M80 HydrophobicContact CB-CB 4.39Å; I64-M80 HydrophobicContact CD1-CB 4.42Å; I64-M80 HydrophobicContact CG2-CB 4.03Å; I64-M80 HydrophobicContact CG2-CG 4.47Å; A65-M80 HydrophobicContact CB-SD 3.93Å; F76-M80 VanDerWaalsContact O-CB 3.3Å; F76-M80 WeakPolarHBondContact O-CB 3.22Å; F76-M80 PolarHBondContact O-N 3.46Å; F77-M80 HydrophobicContact CD2-CE 3.63Å; F77-M80 HydrophobicContact CE2-CE 3.55Å; F77-M80 HydrophobicContact CG-CE 4.44Å; F77-M80 HydrophobicContact CZ-CE 4.32Å; F77-M80 WeakPolarHBondContact O-CB 3.37Å; F77-M80 PolarHBondContact O-N 3.16Å; I78-M80 VanDerWaalsContact C-N 3.28Å; I78-M80 PolarHBondContact O-N 2.86Å; M80-C83 WeakPolarHBondContact O-CB 3.38Å; M80-C83 PolarHBondContact O-N 3.3Å; M80-L84 WeakPolarHBondContact O-CG 3.47Å; M80-L84 PolarHBondContact O-N 2.93Å |
| 81 | L | 92.6 | Very high | 89.6 | Confident | 19 Ų | 19 | 36.5 Ų | 36.5 | 10% | 0.099 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.9 | -43.7 | 175.2 | -67 | 165.3 | 0 | 0 | 0 | 111.8 | F77 I78 I79 C83 L84 S85 F135 M166 | F77-L81 HydrophobicContact CD1-CD1 3.71Å; F77-L81 HydrophobicContact CD1-CG 4.38Å; F77-L81 HydrophobicContact CE1-CD1 3.45Å; F77-L81 VanDerWaalsContact CE1-CD1 3.45Å; F77-L81 HydrophobicContact CE1-CD2 4.49Å; F77-L81 HydrophobicContact CE1-CG 4.13Å; F77-L81 HydrophobicContact CZ-CD1 4.26Å; F77-L81 WeakPolarHBondContact O-CG 3.39Å; F77-L81 PolarHBondContact O-N 2.94Å; I78-L81 WeakPolarHBondContact O-CB 3.45Å; I78-L81 PolarHBondContact O-N 3.35Å; I79-L81 VanDerWaalsContact C-N 3.3Å; I79-L81 PolarHBondContact O-N 3.43Å; L81-C83 VanDerWaalsContact C-N 3.31Å; L81-C83 PolarHBondContact O-N 3.28Å; L81-L84 CarbonylContact O-C 3.56Å; L81-L84 WeakPolarHBondContact O-CA 3.27Å; L81-L84 WeakPolarHBondContact O-CB 3.38Å; L81-L84 PolarHBondContact O-N 3.48Å; L81-S85 PolarHBondContact O-N 3.01Å; L81-S85 PolarHBondContact O-OG 3.32Å; L81-F135 HydrophobicContact CB-CD1 4.34Å; L81-F135 HydrophobicContact CB-CD2 4.16Å; L81-F135 HydrophobicContact CB-CE1 4.24Å; L81-F135 HydrophobicContact CB-CE2 4.04Å; L81-F135 HydrophobicContact CB-CG 4.33Å; L81-F135 HydrophobicContact CB-CZ 4.1Å; L81-F135 HydrophobicContact CD1-CD1 4.4Å; L81-F135 HydrophobicContact CD1-CE1 3.97Å; L81-F135 HydrophobicContact CD1-CZ 4.33Å; L81-F135 HydrophobicContact CD2-CZ 4.47Å; L81-M166 HydrophobicContact CD1-CE 4.21Å; L81-M166 HydrophobicContact CD1-CG 4.47Å; L81-M166 HydrophobicContact CD1-SD 3.21Å; L81-M166 WeakPolarHBondContact CD1-SD 3.15Å; L81-M166 HydrophobicContact CD2-CE 3.78Å; L81-M166 HydrophobicContact CD2-SD 3.94Å; L81-M166 HydrophobicContact CG-SD 4.18Å |
| 82 | T | 91.6 | Very high | 90.1 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 3% | 0.025 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.7 | -44.5 | 174.1 | -52.3 | 0 | 0 | 0 | 0 | 111.2 | I78 I79 L84 S85 Y86 | I78-T82 PolarHBondContact O-N 3.08Å; I78-T82 PolarHBondContact O-OG1 3.33Å; I78-T82 VanDerWaalsContact O-OG1 3.12Å; I79-T82 WeakPolarHBondContact O-CB 3.44Å; I79-T82 PolarHBondContact O-N 2.91Å; T82-L84 VanDerWaalsContact C-N 3.34Å; T82-L84 PolarHBondContact O-N 3Å; T82-S85 WeakPolarHBondContact O-CB 3.36Å; T82-S85 PolarHBondContact O-N 3.19Å; T82-Y86 HydrophobicContact CG2-CD2 4.04Å; T82-Y86 HydrophobicContact CG2-CE2 3.8Å; T82-Y86 VanDerWaalsContact O-CD2 3.24Å; T82-Y86 WeakPolarHBondContact O-CD2 3.48Å; T82-Y86 PolarHBondContact O-N 2.9Å |
| 83 | C | 93 | Very high | 90.5 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.014 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.5 | -43.3 | 173.2 | -73.1 | 0 | 0 | 0 | 0 | 111.9 | N57 A61 I79 M80 L81 S85 Y86 A87 | N57-C83 HydrophobicContact CB-CB 4.41Å; N57-C83 WeakPolarHBondContact CB-O 3.45Å; A61-C83 HydrophobicContact CB-CB 4.15Å; I79-C83 PolarHBondContact O-N 3.35Å; I79-C83 PolarHBondContact O-SG 2.89Å; M80-C83 WeakPolarHBondContact O-CB 3.38Å; M80-C83 PolarHBondContact O-N 3.3Å; L81-C83 VanDerWaalsContact C-N 3.31Å; L81-C83 PolarHBondContact O-N 3.28Å; C83-S85 VanDerWaalsContact C-N 3.32Å; C83-S85 PolarHBondContact O-N 3.1Å; C83-Y86 PolarHBondContact O-N 3.47Å; C83-A87 PolarHBondContact O-N 3Å |
| 84 | L | 94.5 | Very high | 91 | Very high | 61 Ų | 61 | 21.8 Ų | 21.8 | 32% | 0.319 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -62.6 | -38.8 | 175.7 | -70.8 | 171 | 0 | 0 | 0 | 111.9 | A61 M80 L81 T82 A87 F88 | A61-L84 HydrophobicContact CB-CD2 3.81Å; A61-L84 HydrophobicContact CB-CG 3.93Å; M80-L84 WeakPolarHBondContact O-CG 3.47Å; M80-L84 PolarHBondContact O-N 2.93Å; L81-L84 CarbonylContact O-C 3.56Å; L81-L84 WeakPolarHBondContact O-CA 3.27Å; L81-L84 WeakPolarHBondContact O-CB 3.38Å; L81-L84 PolarHBondContact O-N 3.48Å; T82-L84 VanDerWaalsContact C-N 3.34Å; T82-L84 PolarHBondContact O-N 3Å; L84-A87 CarbonylContact O-C 3.54Å; L84-A87 WeakPolarHBondContact O-CA 3.36Å; L84-A87 WeakPolarHBondContact O-CB 3.35Å; L84-A87 PolarHBondContact O-N 3.1Å; L84-A87 VanDerWaalsContact O-N 3.1Å; L84-F88 WeakPolarHBondContact O-CD2 3.33Å; L84-F88 PolarHBondContact O-N 3Å |
| 85 | S | 94.7 | Very high | 91.4 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.014 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 176 | -55 | 0 | 0 | 0 | 0 | 112.4 | L81 T82 C83 A87 F88 H89 M131 F135 | L81-S85 PolarHBondContact O-N 3.01Å; L81-S85 PolarHBondContact O-OG 3.32Å; T82-S85 WeakPolarHBondContact O-CB 3.36Å; T82-S85 PolarHBondContact O-N 3.19Å; C83-S85 VanDerWaalsContact C-N 3.32Å; C83-S85 PolarHBondContact O-N 3.1Å; S85-A87 VanDerWaalsContact C-N 3.29Å; S85-A87 PolarHBondContact O-N 3.07Å; S85-F88 PolarHBondContact O-N 2.85Å; S85-H89 WeakPolarHBondContact O-CB 3.37Å; S85-H89 PolarHBondContact O-N 2.85Å; S85-M131 WeakPolarHBondContact OG-CB 3.18Å; S85-F135 WeakPolarHBondContact OG-CD2 3.32Å; S85-F135 VanDerWaalsContact OG-CE2 3.25Å; S85-F135 WeakPolarHBondContact OG-CE2 3.44Å |
| 86 | Y | 93.9 | Very high | 91.7 | Very high | 5 Ų | 5 | 25.7 Ų | 25.7 | 2% | 0.02 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.4 | -37.1 | 170.2 | -82.2 | -73.3 | 0 | 0 | 0 | 112.7 | T82 C83 A90 I132 F265 N305 | T82-Y86 HydrophobicContact CG2-CD2 4.04Å; T82-Y86 HydrophobicContact CG2-CE2 3.8Å; T82-Y86 VanDerWaalsContact O-CD2 3.24Å; T82-Y86 WeakPolarHBondContact O-CD2 3.48Å; T82-Y86 PolarHBondContact O-N 2.9Å; C83-Y86 PolarHBondContact O-N 3.47Å; Y86-A90 VanDerWaalsContact O-CB 3.28Å; Y86-A90 WeakPolarHBondContact O-CB 3.45Å; Y86-A90 PolarHBondContact O-N 3.03Å; Y86-I132 HydrophobicContact CD1-CD1 3.51Å; Y86-I132 HydrophobicContact CD1-CG1 4.28Å; Y86-I132 HydrophobicContact CD2-CD1 4.27Å; Y86-I132 HydrophobicContact CD2-CG1 4.14Å; Y86-I132 HydrophobicContact CE1-CD1 3.61Å; Y86-I132 HydrophobicContact CE1-CG1 4.32Å; Y86-I132 HydrophobicContact CE1-CG2 4.39Å; Y86-I132 HydrophobicContact CE2-CD1 4.34Å; Y86-I132 HydrophobicContact CE2-CG1 4.17Å; Y86-I132 HydrophobicContact CE2-CG2 3.98Å; Y86-I132 HydrophobicContact CG-CD1 3.86Å; Y86-I132 HydrophobicContact CG-CG1 4.19Å; Y86-F265 HydrophobicContact CE1-CD2 4.05Å; Y86-F265 HydrophobicContact CE1-CE2 4.41Å; Y86-F265 VanDerWaalsContact OH-CD2 3.28Å; Y86-F265 WeakPolarHBondContact OH-CD2 3.24Å; Y86-N305 HydrophobicContact CD2-CB 4.34Å; Y86-N305 WeakPolarHBondContact CD2-ND2 3.09Å; Y86-N305 HydrophobicContact CE1-CB 4.47Å; Y86-N305 HydrophobicContact CE2-CB 3.81Å; Y86-N305 VanDerWaalsContact CE2-CG 3.41Å; Y86-N305 VanDerWaalsContact CE2-ND2 3.25Å; Y86-N305 WeakPolarHBondContact CE2-ND2 3.47Å |
| 87 | A | 95.2 | Very high | 91.8 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 4% | 0.041 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.8 | -43.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F54 N57 C83 L84 S85 A90 L91 | F54-A87 HydrophobicContact CD2-CB 3.98Å; F54-A87 WeakPolarHBondContact CD2-O 3.48Å; F54-A87 HydrophobicContact CE2-CB 4.25Å; N57-A87 HydrophobicContact CB-CB 4.41Å; C83-A87 PolarHBondContact O-N 3Å; L84-A87 CarbonylContact O-C 3.54Å; L84-A87 WeakPolarHBondContact O-CA 3.36Å; L84-A87 WeakPolarHBondContact O-CB 3.35Å; L84-A87 PolarHBondContact O-N 3.1Å; L84-A87 VanDerWaalsContact O-N 3.1Å; S85-A87 VanDerWaalsContact C-N 3.29Å; S85-A87 PolarHBondContact O-N 3.07Å; A87-A90 PolarHBondContact O-N 3.32Å; A87-L91 VanDerWaalsContact O-CB 3.27Å; A87-L91 WeakPolarHBondContact O-CB 3.19Å; A87-L91 PolarHBondContact O-N 3.33Å |
| 88 | F | 95.2 | Very high | 91.8 | Very high | 94 Ų | 94 | 26.8 Ų | 26.8 | 41% | 0.412 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 174.4 | -82 | -68.4 | 0 | 0 | 0 | 111.9 | L84 S85 L91 G92 L124 | L84-F88 WeakPolarHBondContact O-CD2 3.33Å; L84-F88 PolarHBondContact O-N 3Å; S85-F88 PolarHBondContact O-N 2.85Å; F88-L91 PolarHBondContact O-N 3.46Å; F88-G92 PolarHBondContact O-N 2.9Å; F88-L124 HydrophobicContact CD1-CD1 3.9Å |
| 89 | H | 93.4 | Very high | 91.8 | Very high | 35 Ų | 35 | 32.5 Ų | 32.5 | 16% | 0.162 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.2 | -51.3 | 176 | -179.1 | 62.8 | 0 | 0 | 0 | 111.3 | S85 L91 G92 V93 G125 I132 Y299 | S85-H89 WeakPolarHBondContact O-CB 3.37Å; S85-H89 PolarHBondContact O-N 2.85Å; H89-L91 VanDerWaalsContact C-N 3.33Å; H89-L91 PolarHBondContact O-N 3.31Å; H89-G92 PolarHBondContact O-N 3.01Å; H89-V93 WeakPolarHBondContact O-CG2 3.11Å; H89-V93 PolarHBondContact O-N 3.06Å; H89-V93 VanDerWaalsContact O-N 3.1Å; H89-G125 PolarHBondContact ND1-O 3.46Å; H89-I132 HydrophobicContact CB-CD1 4.13Å; H89-Y299 AromaticContact NE2-CD1 3.74Å; H89-Y299 AromaticContact NE2-CE1 3.95Å |
| 90 | A | 93.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 3% | 0.033 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62 | -38.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A50 F54 Y86 A87 V93 I94 | A50-A90 WeakPolarHBondContact O-CB 3.47Å; F54-A90 HydrophobicContact CB-CB 3.92Å; Y86-A90 VanDerWaalsContact O-CB 3.28Å; Y86-A90 WeakPolarHBondContact O-CB 3.45Å; Y86-A90 PolarHBondContact O-N 3.03Å; A87-A90 PolarHBondContact O-N 3.32Å; A90-V93 PolarHBondContact O-N 3.33Å; A90-I94 VanDerWaalsContact O-CG1 3.28Å; A90-I94 WeakPolarHBondContact O-CG1 3.26Å; A90-I94 PolarHBondContact O-N 2.82Å |
| 91 | L | 95.1 | Very high | 91 | Very high | 57 Ų | 57 | 34.3 Ų | 34.3 | 30% | 0.298 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.9 | -41.3 | 176.1 | -177.4 | 60.9 | 0 | 0 | 0 | 111.6 | F54 A87 F88 H89 V93 I94 I95 L124 | F54-L91 HydrophobicContact CD2-CB 4.09Å; F54-L91 HydrophobicContact CE2-CB 4.08Å; F54-L91 HydrophobicContact CE2-CD1 4.38Å; F54-L91 HydrophobicContact CE2-CD2 4.37Å; A87-L91 VanDerWaalsContact O-CB 3.27Å; A87-L91 WeakPolarHBondContact O-CB 3.19Å; A87-L91 PolarHBondContact O-N 3.33Å; F88-L91 PolarHBondContact O-N 3.46Å; H89-L91 VanDerWaalsContact C-N 3.33Å; H89-L91 PolarHBondContact O-N 3.31Å; L91-V93 VanDerWaalsContact C-N 3.32Å; L91-V93 PolarHBondContact O-N 3.42Å; L91-I94 PolarHBondContact O-N 3.21Å; L91-I95 HydrophobicContact CD1-CD1 4.3Å; L91-I95 HydrophobicContact CD1-CG1 4.48Å; L91-I95 HydrophobicContact CG-CD1 4.07Å; L91-I95 WeakPolarHBondContact O-CG1 3.41Å; L91-I95 PolarHBondContact O-N 3.44Å; L91-L124 HydrophobicContact CB-CD2 4.25Å; L91-L124 HydrophobicContact CD2-CD2 3.99Å; L91-L124 HydrophobicContact CG-CD2 3.85Å |
| 92 | G | 92.9 | Very high | 90.6 | Very high | 3 Ų | 3 | 37 Ų | 37 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.9 | -43.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F88 H89 I94 I95 Y96 | F88-G92 PolarHBondContact O-N 2.9Å; H89-G92 PolarHBondContact O-N 3.01Å; G92-I94 PolarHBondContact O-N 2.99Å; G92-I95 PolarHBondContact O-N 3.28Å; G92-Y96 WeakPolarHBondContact O-CB 3.47Å; G92-Y96 PolarHBondContact O-N 2.96Å |
| 93 | V | 89.5 | Confident | 89.9 | Confident | 10 Ų | 10 | 37.4 Ų | 37.4 | 6% | 0.061 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.7 | -41 | 176.4 | 176.1 | 0 | 0 | 0 | 0 | 111.9 | I46 A50 H89 A90 L91 G97 Y299 | I46-V93 HydrophobicContact CG2-CG1 3.65Å; A50-V93 HydrophobicContact CB-CB 4.18Å; A50-V93 HydrophobicContact CB-CG1 3.9Å; H89-V93 WeakPolarHBondContact O-CG2 3.11Å; H89-V93 PolarHBondContact O-N 3.06Å; H89-V93 VanDerWaalsContact O-N 3.1Å; A90-V93 PolarHBondContact O-N 3.33Å; L91-V93 VanDerWaalsContact C-N 3.32Å; L91-V93 PolarHBondContact O-N 3.42Å; V93-G97 PolarHBondContact O-N 2.86Å; V93-Y299 HydrophobicContact CB-CE1 4.37Å; V93-Y299 HydrophobicContact CG1-CD1 4.31Å; V93-Y299 HydrophobicContact CG1-CE1 4.07Å; V93-Y299 HydrophobicContact CG1-CE2 4.44Å; V93-Y299 HydrophobicContact CG2-CD1 3.73Å; V93-Y299 HydrophobicContact CG2-CE1 3.33Å |
| 94 | I | 92 | Very high | 89 | Confident | 31 Ų | 31 | 41.1 Ų | 41.1 | 16% | 0.159 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.6 | -46.8 | 176.5 | -66.6 | 161.1 | 0 | 0 | 0 | 110.6 | A50 F54 A90 L91 G92 G97 I98 | A50-I94 HydrophobicContact CB-CD1 4.36Å; A50-I94 HydrophobicContact CB-CG1 3.79Å; F54-I94 HydrophobicContact CB-CD1 4.21Å; A90-I94 VanDerWaalsContact O-CG1 3.28Å; A90-I94 WeakPolarHBondContact O-CG1 3.26Å; A90-I94 PolarHBondContact O-N 2.82Å; L91-I94 PolarHBondContact O-N 3.21Å; G92-I94 PolarHBondContact O-N 2.99Å; I94-G97 PolarHBondContact O-N 3.22Å; I94-I98 HydrophobicContact CG2-CD1 3.67Å; I94-I98 HydrophobicContact CG2-CG1 4.35Å; I94-I98 VanDerWaalsContact O-CG1 3.29Å; I94-I98 WeakPolarHBondContact O-CG1 3.37Å; I94-I98 PolarHBondContact O-N 3.26Å |
| 95 | I | 91.9 | Very high | 88.2 | Confident | 71 Ų | 71 | 44.2 Ų | 44.2 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62 | -46.4 | 179.3 | -70.2 | 169.1 | 0 | 0 | 0 | 110.6 | L91 G92 G97 I98 K99 L124 | L91-I95 HydrophobicContact CD1-CD1 4.3Å; L91-I95 HydrophobicContact CD1-CG1 4.48Å; L91-I95 HydrophobicContact CG-CD1 4.07Å; L91-I95 WeakPolarHBondContact O-CG1 3.41Å; L91-I95 PolarHBondContact O-N 3.44Å; G92-I95 PolarHBondContact O-N 3.28Å; I95-G97 PolarHBondContact O-N 3.41Å; I95-I98 PolarHBondContact O-N 2.82Å; I95-K99 WeakPolarHBondContact O-CB 3.21Å; I95-K99 WeakPolarHBondContact O-CG 3.42Å; I95-K99 PolarHBondContact O-N 3.26Å; I95-L124 HydrophobicContact CD1-CD2 3.75Å |
| 96 | Y | 87.1 | Confident | 87.4 | Confident | 46 Ų | 46 | 49.5 Ų | 49.5 | 18% | 0.18 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.5 | -50.8 | 173.8 | 170.1 | -92.1 | 0 | 0 | 0 | 110.9 | G92 I98 K99 M100 L121 T122 C192 | G92-Y96 WeakPolarHBondContact O-CB 3.47Å; G92-Y96 PolarHBondContact O-N 2.96Å; Y96-I98 PolarHBondContact O-N 2.89Å; Y96-K99 PolarHBondContact O-N 3.31Å; Y96-M100 HydrophobicContact CD1-CG 4.27Å; Y96-M100 HydrophobicContact CD2-CG 4.34Å; Y96-M100 HydrophobicContact CE1-CG 3.81Å; Y96-M100 HydrophobicContact CE2-CG 3.88Å; Y96-M100 HydrophobicContact CE2-SD 4.14Å; Y96-M100 HydrophobicContact CG-CG 4.5Å; Y96-M100 WeakPolarHBondContact O-CG 3.44Å; Y96-M100 PolarHBondContact O-N 3.38Å; Y96-L121 HydrophobicContact CD2-CD2 3.61Å; Y96-L121 HydrophobicContact CD2-CG 3.86Å; Y96-L121 HydrophobicContact CE2-CD2 4.03Å; Y96-T122 HydrophobicContact CD2-CG2 4.17Å; Y96-T122 HydrophobicContact CE2-CG2 4.43Å; Y96-C192 PolarHBondContact OH-O 2.64Å |
| 97 | G | 86.1 | Confident | 86.3 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | M47 V93 I94 I95 K99 M100 V101 | M47-G97 VanDerWaalsContact SD-C 3.54Å; V93-G97 PolarHBondContact O-N 2.86Å; I94-G97 PolarHBondContact O-N 3.22Å; I95-G97 PolarHBondContact O-N 3.41Å; G97-K99 VanDerWaalsContact C-N 3.31Å; G97-K99 PolarHBondContact O-N 3.43Å; G97-M100 PolarHBondContact O-N 3.03Å; G97-V101 WeakPolarHBondContact O-CG2 3.35Å; G97-V101 PolarHBondContact O-N 3.18Å |
| 98 | I | 89.4 | Confident | 84.6 | Confident | 82 Ų | 82 | 65.6 Ų | 65.6 | 42% | 0.421 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.1 | -43.9 | 176.8 | -69.5 | 167.3 | 0 | 0 | 0 | 110.9 | M47 I94 I95 Y96 V101 I102 | M47-I98 HydrophobicContact SD-CG1 4.27Å; I94-I98 HydrophobicContact CG2-CD1 3.67Å; I94-I98 HydrophobicContact CG2-CG1 4.35Å; I94-I98 VanDerWaalsContact O-CG1 3.29Å; I94-I98 WeakPolarHBondContact O-CG1 3.37Å; I94-I98 PolarHBondContact O-N 3.26Å; I95-I98 PolarHBondContact O-N 2.82Å; Y96-I98 PolarHBondContact O-N 2.89Å; I98-V101 PolarHBondContact O-N 3Å; I98-I102 HydrophobicContact CG2-CD1 3.69Å; I98-I102 HydrophobicContact CG2-CG1 4.45Å; I98-I102 VanDerWaalsContact O-CG1 3.31Å; I98-I102 WeakPolarHBondContact O-CG1 3.13Å; I98-I102 PolarHBondContact O-N 3.33Å |
| 99 | K | 86.3 | Confident | 82.7 | Confident | 125 Ų | 125 | 64.7 Ų | 64.7 | 54% | 0.543 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67 | -38.4 | 179.6 | -73.5 | -67.9 | -170.7 | 176.7 | 0 | 112.5 | I95 Y96 G97 G103 L121 | I95-K99 WeakPolarHBondContact O-CB 3.21Å; I95-K99 WeakPolarHBondContact O-CG 3.42Å; I95-K99 PolarHBondContact O-N 3.26Å; Y96-K99 PolarHBondContact O-N 3.31Å; G97-K99 VanDerWaalsContact C-N 3.31Å; G97-K99 PolarHBondContact O-N 3.43Å; K99-G103 PolarHBondContact O-N 2.88Å; K99-L121 HydrophobicContact CB-CD1 3.75Å; K99-L121 HydrophobicContact CB-CD2 4.38Å; K99-L121 HydrophobicContact CG-CD1 3.7Å |
| 100 | M | 80 | Confident | 81 | Confident | 50 Ų | 50 | 65.6 Ų | 65.6 | 25% | 0.246 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 174.2 | -70.4 | -56.5 | -63.9 | 0 | 0 | 111.9 | L43 Y96 G97 G103 Y104 | L43-M100 HydrophobicContact CD2-CB 3.97Å; Y96-M100 HydrophobicContact CD1-CG 4.27Å; Y96-M100 HydrophobicContact CD2-CG 4.34Å; Y96-M100 HydrophobicContact CE1-CG 3.81Å; Y96-M100 HydrophobicContact CE2-CG 3.88Å; Y96-M100 HydrophobicContact CE2-SD 4.14Å; Y96-M100 HydrophobicContact CG-CG 4.5Å; Y96-M100 WeakPolarHBondContact O-CG 3.44Å; Y96-M100 PolarHBondContact O-N 3.38Å; G97-M100 PolarHBondContact O-N 3.03Å; M100-G103 PolarHBondContact O-N 3.17Å; M100-Y104 WeakPolarHBondContact O-CB 3.32Å; M100-Y104 PolarHBondContact O-N 2.9Å |
| 101 | V | 83.5 | Confident | 79.4 | Confident | 14 Ų | 14 | 70 Ų | 70 | 9% | 0.085 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.4 | -51.4 | 175.4 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | M40 L43 Y44 M47 G97 I98 G103 Y104 E105 | M40-V101 HydrophobicContact CE-CB 4.14Å; M40-V101 HydrophobicContact CE-CG1 4.31Å; M40-V101 HydrophobicContact CE-CG2 3.77Å; L43-V101 HydrophobicContact CD2-CG2 3.63Å; L43-V101 HydrophobicContact CG-CG2 4.46Å; Y44-V101 HydrophobicContact CE1-CG2 4.36Å; M47-V101 HydrophobicContact CE-CG2 3.94Å; G97-V101 WeakPolarHBondContact O-CG2 3.35Å; G97-V101 PolarHBondContact O-N 3.18Å; I98-V101 PolarHBondContact O-N 3Å; V101-G103 VanDerWaalsContact C-N 3.31Å; V101-G103 PolarHBondContact O-N 3.35Å; V101-Y104 PolarHBondContact O-N 3.43Å; V101-E105 HydrophobicContact CG1-CG 4.47Å; V101-E105 WeakPolarHBondContact O-CG 3.35Å; V101-E105 PolarHBondContact O-N 3.29Å |
| 102 | I | 83.9 | Confident | 78 | Confident | 76 Ų | 76 | 72.8 Ų | 72.8 | 39% | 0.39 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | -179.9 | -67.3 | 169 | 0 | 0 | 0 | 111.1 | I98 E105 N106 | I98-I102 HydrophobicContact CG2-CD1 3.69Å; I98-I102 HydrophobicContact CG2-CG1 4.45Å; I98-I102 VanDerWaalsContact O-CG1 3.31Å; I98-I102 WeakPolarHBondContact O-CG1 3.13Å; I98-I102 PolarHBondContact O-N 3.33Å; I102-E105 PolarHBondContact O-N 3.24Å; I102-N106 WeakPolarHBondContact CG2-ND2 3.38Å; I102-N106 WeakPolarHBondContact O-CB 2.9Å; I102-N106 VanDerWaalsContact O-CG 3.31Å; I102-N106 PolarHBondContact O-N 3.14Å; I102-N106 PolarHBondContact O-ND2 2.86Å |
| 103 | G | 77.6 | Confident | 77.2 | Confident | 12 Ų | 12 | 73.5 Ų | 73.5 | 12% | 0.124 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K99 M100 V101 N106 Y107 | K99-G103 PolarHBondContact O-N 2.88Å; M100-G103 PolarHBondContact O-N 3.17Å; V101-G103 VanDerWaalsContact C-N 3.31Å; V101-G103 PolarHBondContact O-N 3.35Å; G103-N106 PolarHBondContact O-N 3.03Å; G103-Y107 WeakPolarHBondContact O-CB 3Å; G103-Y107 VanDerWaalsContact O-CD2 3.25Å; G103-Y107 WeakPolarHBondContact O-CD2 3.31Å; G103-Y107 PolarHBondContact O-N 2.69Å |
| 104 | Y | 73.4 | Confident | 76.8 | Confident | 80 Ų | 80 | 74.8 Ų | 74.8 | 31% | 0.314 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 177.9 | -174.7 | -98.2 | 0 | 0 | 0 | 112.6 | V38 M40 M100 V101 N106 R108 | V38-Y104 HydrophobicContact CB-CE2 4.18Å; V38-Y104 HydrophobicContact CG2-CE2 3.98Å; M40-Y104 HydrophobicContact CE-CD1 4.06Å; M40-Y104 HydrophobicContact CE-CG 4.21Å; M40-Y104 HydrophobicContact CG-CD1 4.5Å; M40-Y104 HydrophobicContact CG-CE1 4.46Å; M40-Y104 HydrophobicContact SD-CD1 4.25Å; M40-Y104 HydrophobicContact SD-CG 4.35Å; M100-Y104 WeakPolarHBondContact O-CB 3.32Å; M100-Y104 PolarHBondContact O-N 2.9Å; V101-Y104 PolarHBondContact O-N 3.43Å; Y104-N106 PolarHBondContact O-N 3.46Å; Y104-R108 WeakPolarHBondContact O-CA 3.41Å; Y104-R108 PolarHBondContact O-N 3.07Å |
| 105 | E | 78.2 | Confident | 76.3 | Confident | 126 Ų | 126 | 73.8 Ų | 73.8 | 59% | 0.589 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.4 | -40 | 179.4 | -74.5 | -177 | 169.9 | 0 | 0 | 112.9 | V101 I102 | V101-E105 HydrophobicContact CG1-CG 4.47Å; V101-E105 WeakPolarHBondContact O-CG 3.35Å; V101-E105 PolarHBondContact O-N 3.29Å; I102-E105 PolarHBondContact O-N 3.24Å |
| 106 | N | 77.7 | Confident | 75.9 | Confident | 113 Ų | 113 | 73 Ų | 73 | 60% | 0.604 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -78.6 | -36.7 | -176.4 | -74.1 | -25.4 | 0 | 0 | 0 | 113.5 | I102 G103 Y104 | I102-N106 WeakPolarHBondContact CG2-ND2 3.38Å; I102-N106 WeakPolarHBondContact O-CB 2.9Å; I102-N106 VanDerWaalsContact O-CG 3.31Å; I102-N106 PolarHBondContact O-N 3.14Å; I102-N106 PolarHBondContact O-ND2 2.86Å; G103-N106 PolarHBondContact O-N 3.03Å; Y104-N106 PolarHBondContact O-N 3.46Å |
| 107 | Y | 69.5 | Low | 75.8 | Confident | 136 Ų | 136 | 75 Ų | 75 | 53% | 0.533 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -106.2 | -17.3 | -170.3 | -62.9 | -73.7 | 0 | 0 | 0 | 113.9 | G103 T109 F111 | G103-Y107 WeakPolarHBondContact O-CB 3Å; G103-Y107 VanDerWaalsContact O-CD2 3.25Å; G103-Y107 WeakPolarHBondContact O-CD2 3.31Å; G103-Y107 PolarHBondContact O-N 2.69Å; Y107-T109 WeakPolarHBondContact O-CB 3.34Å; Y107-T109 WeakPolarHBondContact O-CG2 3.5Å; Y107-T109 PolarHBondContact O-N 3.28Å; Y107-T109 PolarHBondContact O-OG1 3.47Å; Y107-F111 AromaticContact CD2-CD2 3.67Å; Y107-F111 HydrophobicContact CD2-CD2 3.67Å; Y107-F111 AromaticContact CD2-CE2 3.91Å; Y107-F111 HydrophobicContact CD2-CE2 3.91Å; Y107-F111 AromaticContact CE2-CD2 3.94Å; Y107-F111 HydrophobicContact CE2-CD2 3.94Å; Y107-F111 AromaticContact CE2-CE2 3.66Å; Y107-F111 HydrophobicContact CE2-CE2 3.66Å; Y107-F111 HydrophobicContact CG-CD2 4.31Å |
| 108 | R | 60.5 | Low | 75.7 | Confident | 211 Ų | 211 | 74.9 Ų | 74.9 | 80% | 0.796 | 36% | 0.358 | S | S | * | . | trans | 46.3 | 15.3 | -175.6 | -73.5 | -162.9 | 179.5 | -154.5 | 1.3 | 115.4 | Y104 | Y104-R108 WeakPolarHBondContact O-CA 3.41Å; Y104-R108 PolarHBondContact O-N 3.07Å | ||
| 109 | T | 55.3 | Low | 75.5 | Confident | 76 Ų | 76 | 71.2 Ų | 71.2 | 47% | 0.466 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -139.7 | 163.3 | -170.7 | 48.8 | 0 | 0 | 0 | 0 | 109.3 | Y107 F111 | Y107-T109 WeakPolarHBondContact O-CB 3.34Å; Y107-T109 WeakPolarHBondContact O-CG2 3.5Å; Y107-T109 PolarHBondContact O-N 3.28Å; Y107-T109 PolarHBondContact O-OG1 3.47Å; T109-F111 PolarHBondContact O-N 3.33Å |
| 110 | V | 57.1 | Low | 75.6 | Confident | 53 Ų | 53 | 68.1 Ų | 68.1 | 32% | 0.321 | 33% | 0.333 | S | S | . | . | trans | -56.2 | 107.8 | 174.1 | -178.7 | 0 | 0 | 0 | 0 | 108.6 | L112 F190 | V110-L112 PolarHBondContact O-N 3.28Å; V110-F190 HydrophobicContact CG1-CD2 3.99Å; V110-F190 HydrophobicContact CG1-CE2 3.95Å; V110-F190 HydrophobicContact CG1-CZ 4.43Å; V110-F190 WeakPolarHBondContact CG1-O 3.49Å; V110-F190 HydrophobicContact CG2-CE2 4.29Å; V110-F190 HydrophobicContact CG2-CZ 4.43Å | ||
| 111 | F | 60.1 | Low | 75.9 | Confident | 96 Ų | 96 | 67.2 Ų | 67.2 | 42% | 0.421 | 33% | 0.329 | S | S | . | . | trans | -70.7 | 95.4 | 179.5 | -173.5 | -99.4 | 0 | 0 | 0 | 108.9 | Y107 T109 M113 | Y107-F111 AromaticContact CD2-CD2 3.67Å; Y107-F111 HydrophobicContact CD2-CD2 3.67Å; Y107-F111 AromaticContact CD2-CE2 3.91Å; Y107-F111 HydrophobicContact CD2-CE2 3.91Å; Y107-F111 AromaticContact CE2-CD2 3.94Å; Y107-F111 HydrophobicContact CE2-CD2 3.94Å; Y107-F111 AromaticContact CE2-CE2 3.66Å; Y107-F111 HydrophobicContact CE2-CE2 3.66Å; Y107-F111 HydrophobicContact CG-CD2 4.31Å; T109-F111 PolarHBondContact O-N 3.33Å; F111-M113 HydrophobicContact CD1-CB 3.86Å; F111-M113 HydrophobicContact CD1-CG 4.46Å; F111-M113 HydrophobicContact CD1-SD 4.33Å; F111-M113 HydrophobicContact CE1-CB 3.85Å; F111-M113 HydrophobicContact CE1-CG 4Å; F111-M113 HydrophobicContact CE1-SD 3.76Å; F111-M113 PolarHBondContact O-N 3.43Å | ||
| 112 | L | 65.8 | Low | 76.1 | Confident | 117 Ų | 117 | 67 Ų | 67 | 61% | 0.613 | 33% | 0.328 | S | S | * | . | trans | -63.4 | 108.3 | 172.1 | -75.1 | 161.8 | 0 | 0 | 0 | 108.2 | V110 A188 | V110-L112 PolarHBondContact O-N 3.28Å; L112-A188 HydrophobicContact CD2-CB 4.33Å | ||
| 113 | M | 75.6 | Confident | 76.4 | Confident | 18 Ų | 18 | 66.1 Ų | 66.1 | 9% | 0.089 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 143.6 | 178.7 | -169 | 155.4 | 65.2 | 0 | 0 | 109.3 | F111 D117 C118 L121 L189 C192 | F111-M113 HydrophobicContact CD1-CB 3.86Å; F111-M113 HydrophobicContact CD1-CG 4.46Å; F111-M113 HydrophobicContact CD1-SD 4.33Å; F111-M113 HydrophobicContact CE1-CB 3.85Å; F111-M113 HydrophobicContact CE1-CG 4Å; F111-M113 HydrophobicContact CE1-SD 3.76Å; F111-M113 PolarHBondContact O-N 3.43Å; M113-D117 HydrophobicContact CG-CB 3.3Å; M113-D117 HydrophobicContact SD-CB 3.63Å; M113-C118 HydrophobicContact CE-CB 3.64Å; M113-L121 HydrophobicContact CE-CB 4.33Å; M113-L121 HydrophobicContact CE-CD2 3.78Å; M113-L189 WeakPolarHBondContact O-CB 3.46Å; M113-L189 PolarHBondContact O-N 3.45Å; M113-C192 HydrophobicContact CE-CB 3.28Å; M113-C192 WeakPolarHBondContact CE-SG 3.32Å |
| 114 | T | 82.3 | Confident | 77.1 | Confident | 36 Ų | 36 | 68.2 Ų | 68.2 | 22% | 0.221 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 156.8 | 173.6 | 67.9 | 0 | 0 | 0 | 0 | 110.5 | K116 D117 C118 D187 | T114-K116 VanDerWaalsContact C-N 3.25Å; T114-K116 PolarHBondContact O-N 2.95Å; T114-D117 PolarHBondContact O-N 3.03Å; T114-D117 WeakPolarHBondContact OG1-CB 3.35Å; T114-D117 PolarHBondContact OG1-N 3.02Å; T114-D117 VanDerWaalsContact OG1-N 3.09Å; T114-D117 PolarHBondContact OG1-OD2 3.34Å; T114-C118 PolarHBondContact O-N 2.79Å; T114-D187 WeakPolarHBondContact CA-O 3.4Å |
| 115 | Q | 80.5 | Confident | 77.9 | Confident | 11 Ų | 11 | 64.8 Ų | 64.8 | 5% | 0.051 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.6 | -38.8 | 172.5 | -176.9 | -168.5 | -19.3 | 0 | 0 | 112.5 | C118 F119 S185 D187 L189 V197 | Q115-C118 PolarHBondContact O-N 3.32Å; Q115-F119 WeakPolarHBondContact O-CB 3.21Å; Q115-F119 PolarHBondContact O-N 3.14Å; Q115-S185 WeakPolarHBondContact CB-O 3.31Å; Q115-S185 PolarHBondContact OE1-OG 3.13Å; Q115-D187 PolarHBondContact N-O 2.94Å; Q115-L189 VanDerWaalsContact CA-CD1 3.43Å; Q115-L189 HydrophobicContact CB-CD1 3.92Å; Q115-L189 HydrophobicContact CB-CG 4.36Å; Q115-L189 HydrophobicContact CG-CD1 4.32Å; Q115-V197 HydrophobicContact CG-CG1 4.47Å |
| 116 | K | 83.8 | Confident | 78.4 | Confident | 53 Ų | 53 | 59.7 Ų | 59.7 | 23% | 0.23 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61 | -45.4 | 174.5 | -57.9 | -143.7 | -177.6 | 115.6 | 0 | 113 | T114 F119 C120 S184 S185 D186 | T114-K116 VanDerWaalsContact C-N 3.25Å; T114-K116 PolarHBondContact O-N 2.95Å; K116-F119 WeakPolarHBondContact O-CB 3.44Å; K116-F119 PolarHBondContact O-N 2.93Å; K116-C120 PolarHBondContact O-N 3.34Å; K116-C120 PolarHBondContact O-SG 3.17Å; K116-S184 WeakPolarHBondContact CE-O 3.48Å; K116-S184 WeakPolarHBondContact CG-OG 3.25Å; K116-S185 WeakPolarHBondContact CG-O 3.49Å; K116-S185 PolarHBondContact N-O 2.9Å; K116-D186 WeakPolarHBondContact CD-OD1 3.07Å; K116-D186 WeakPolarHBondContact CE-OD1 3.48Å; K116-D186 WeakPolarHBondContact CG-OD1 3.31Å; K116-D186 IonicContact NZ-OD1 2.78Å; K116-D186 PolarHBondContact NZ-OD1 3.5Å; K116-D186 IonicContact NZ-OD2 2.8Å; K116-D186 PolarHBondContact NZ-OD2 3.41Å |
| 117 | D | 85.3 | Confident | 79 | Confident | 88 Ų | 88 | 55.8 Ų | 55.8 | 47% | 0.471 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.8 | -39.7 | -179.5 | -68.7 | -37.6 | 0 | 0 | 0 | 111.1 | M113 T114 C120 L121 | M113-D117 HydrophobicContact CG-CB 3.3Å; M113-D117 HydrophobicContact SD-CB 3.63Å; T114-D117 PolarHBondContact O-N 3.03Å; T114-D117 WeakPolarHBondContact OG1-CB 3.35Å; T114-D117 PolarHBondContact OG1-N 3.02Å; T114-D117 VanDerWaalsContact OG1-N 3.09Å; T114-D117 PolarHBondContact OG1-OD2 3.34Å; D117-C120 PolarHBondContact O-N 3.39Å; D117-L121 WeakPolarHBondContact O-CB 3.4Å; D117-L121 PolarHBondContact O-N 2.85Å |
| 118 | C | 83.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 174.1 | -174.3 | 0 | 0 | 0 | 0 | 112.8 | M113 T114 Q115 L121 T122 L189 C192 V197 | M113-C118 HydrophobicContact CE-CB 3.64Å; T114-C118 PolarHBondContact O-N 2.79Å; Q115-C118 PolarHBondContact O-N 3.32Å; C118-L121 PolarHBondContact O-N 3.09Å; C118-T122 WeakPolarHBondContact O-CG2 3.5Å; C118-T122 PolarHBondContact O-N 2.67Å; C118-T122 PolarHBondContact O-OG1 2.89Å; C118-L189 HydrophobicContact CB-CD1 3.67Å; C118-C192 WeakPolarHBondContact CA-SG 3.35Å; C118-C192 HydrophobicContact CB-CB 3.8Å; C118-C192 WeakPolarHBondContact CB-SG 3.11Å; C118-C192 WeakPolarHBondContact SG-CA 3.41Å; C118-C192 WeakPolarHBondContact SG-CB 3.25Å; C118-C192 CovalentContact SG-SG 2.03Å; C118-C192 PolarHBondContact SG-SG 3.41Å; C118-V197 HydrophobicContact CB-CG2 4.14Å; C118-V197 WeakPolarHBondContact SG-CG2 3.12Å |
| 119 | F | 85.5 | Confident | 81.6 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.1 | -47.8 | 173.2 | 174.7 | -91.1 | 0 | 0 | 0 | 110.9 | Q115 K116 L121 T122 L123 Y177 E180 Y181 M204 | Q115-F119 WeakPolarHBondContact O-CB 3.21Å; Q115-F119 PolarHBondContact O-N 3.14Å; K116-F119 WeakPolarHBondContact O-CB 3.44Å; K116-F119 PolarHBondContact O-N 2.93Å; F119-L121 VanDerWaalsContact C-N 3.31Å; F119-L121 PolarHBondContact O-N 2.88Å; F119-T122 PolarHBondContact O-N 3.43Å; F119-T122 PolarHBondContact O-OG1 2.93Å; F119-L123 HydrophobicContact CE1-CD1 3.92Å; F119-L123 HydrophobicContact CZ-CD1 3.86Å; F119-L123 WeakPolarHBondContact O-CA 3.47Å; F119-L123 WeakPolarHBondContact O-CB 3.26Å; F119-L123 PolarHBondContact O-N 2.95Å; F119-Y177 AromaticContact CE2-CD1 3.9Å; F119-Y177 HydrophobicContact CE2-CD1 3.9Å; F119-Y177 HydrophobicContact CE2-CE1 4.44Å; F119-Y177 AromaticContact CZ-CD1 3.75Å; F119-Y177 HydrophobicContact CZ-CD1 3.75Å; F119-E180 HydrophobicContact CD2-CG 4.02Å; F119-E180 HydrophobicContact CE2-CB 3.93Å; F119-E180 HydrophobicContact CE2-CG 3.5Å; F119-E180 HydrophobicContact CZ-CB 4.19Å; F119-E180 HydrophobicContact CZ-CG 4.21Å; F119-Y181 AromaticContact CD1-CD2 3.83Å; F119-Y181 HydrophobicContact CD1-CD2 3.83Å; F119-Y181 AromaticContact CE1-CD2 3.77Å; F119-Y181 HydrophobicContact CE1-CD2 3.77Å; F119-Y181 HydrophobicContact CE1-CG 4.23Å; F119-M204 HydrophobicContact CD2-SD 4.07Å; F119-M204 HydrophobicContact CE2-SD 4.05Å |
| 120 | C | 88 | Confident | 83.3 | Confident | 60 Ų | 60 | 37.5 Ų | 37.5 | 41% | 0.405 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.3 | -39.7 | 178.2 | -68.7 | 0 | 0 | 0 | 0 | 112.3 | K116 D117 T122 L123 | K116-C120 PolarHBondContact O-N 3.34Å; K116-C120 PolarHBondContact O-SG 3.17Å; D117-C120 PolarHBondContact O-N 3.39Å; C120-T122 VanDerWaalsContact C-N 3.35Å; C120-L123 WeakPolarHBondContact O-CB 3.49Å |
| 121 | L | 87.5 | Confident | 85 | Confident | 32 Ų | 32 | 36.8 Ų | 36.8 | 17% | 0.168 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.7 | -37.1 | 178.9 | -173.8 | 64.6 | 0 | 0 | 0 | 112.3 | Y96 K99 M113 D117 C118 F119 | Y96-L121 HydrophobicContact CD2-CD2 3.61Å; Y96-L121 HydrophobicContact CD2-CG 3.86Å; Y96-L121 HydrophobicContact CE2-CD2 4.03Å; K99-L121 HydrophobicContact CB-CD1 3.75Å; K99-L121 HydrophobicContact CB-CD2 4.38Å; K99-L121 HydrophobicContact CG-CD1 3.7Å; M113-L121 HydrophobicContact CE-CB 4.33Å; M113-L121 HydrophobicContact CE-CD2 3.78Å; D117-L121 WeakPolarHBondContact O-CB 3.4Å; D117-L121 PolarHBondContact O-N 2.85Å; C118-L121 PolarHBondContact O-N 3.09Å; F119-L121 VanDerWaalsContact C-N 3.31Å; F119-L121 PolarHBondContact O-N 2.88Å |
| 122 | T | 86.9 | Confident | 86.5 | Confident | 10 Ų | 10 | 32.2 Ų | 32.2 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -88.1 | -15.7 | -179.2 | 56.6 | 0 | 0 | 0 | 0 | 113.3 | Y96 C118 F119 C120 L124 G125 S126 | Y96-T122 HydrophobicContact CD2-CG2 4.17Å; Y96-T122 HydrophobicContact CE2-CG2 4.43Å; C118-T122 WeakPolarHBondContact O-CG2 3.5Å; C118-T122 PolarHBondContact O-N 2.67Å; C118-T122 PolarHBondContact O-OG1 2.89Å; F119-T122 PolarHBondContact O-N 3.43Å; F119-T122 PolarHBondContact O-OG1 2.93Å; C120-T122 VanDerWaalsContact C-N 3.35Å; T122-L124 PolarHBondContact O-N 3.36Å; T122-G125 WeakPolarHBondContact O-CA 3.38Å; T122-G125 PolarHBondContact O-N 2.87Å; T122-S126 PolarHBondContact O-N 3.25Å; T122-S126 PolarHBondContact O-OG 3.3Å; T122-S126 VanDerWaalsContact O-OG 3.11Å |
| 123 | L | 90.2 | Very high | 87.7 | Confident | 57 Ų | 57 | 26.7 Ų | 26.7 | 30% | 0.298 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -48.5 | -49.7 | -172 | -179.1 | 63 | 0 | 0 | 0 | 113.6 | F119 C120 G125 S126 V127 Y177 | F119-L123 HydrophobicContact CE1-CD1 3.92Å; F119-L123 HydrophobicContact CZ-CD1 3.86Å; F119-L123 WeakPolarHBondContact O-CA 3.47Å; F119-L123 WeakPolarHBondContact O-CB 3.26Å; F119-L123 PolarHBondContact O-N 2.95Å; C120-L123 WeakPolarHBondContact O-CB 3.49Å; L123-G125 VanDerWaalsContact C-N 3.31Å; L123-G125 PolarHBondContact O-N 2.91Å; L123-S126 PolarHBondContact O-N 2.89Å; L123-V127 HydrophobicContact CD1-CG2 3.91Å; L123-V127 HydrophobicContact CG-CG2 4.28Å; L123-V127 WeakPolarHBondContact O-CB 3.28Å; L123-V127 VanDerWaalsContact O-CG2 3.24Å; L123-V127 WeakPolarHBondContact O-CG2 3.28Å; L123-V127 PolarHBondContact O-N 3.06Å; L123-Y177 HydrophobicContact CD1-CD1 3.51Å; L123-Y177 HydrophobicContact CD1-CE1 4.17Å; L123-Y177 HydrophobicContact CD1-CG 3.88Å |
| 124 | L | 92.1 | Very high | 88.5 | Confident | 56 Ų | 56 | 26.3 Ų | 26.3 | 29% | 0.293 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -63.2 | -40.3 | -177.6 | -172.6 | 65.6 | 0 | 0 | 0 | 112 | F88 L91 I95 T122 G128 | F88-L124 HydrophobicContact CD1-CD1 3.9Å; L91-L124 HydrophobicContact CB-CD2 4.25Å; L91-L124 HydrophobicContact CD2-CD2 3.99Å; L91-L124 HydrophobicContact CG-CD2 3.85Å; I95-L124 HydrophobicContact CD1-CD2 3.75Å; T122-L124 PolarHBondContact O-N 3.36Å; L124-G128 PolarHBondContact O-N 3.34Å |
| 125 | G | 90.2 | Very high | 88.9 | Confident | 8 Ų | 8 | 25 Ų | 25 | 8% | 0.082 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.7 | -45.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | H89 T122 L123 G128 K129 | H89-G125 PolarHBondContact ND1-O 3.46Å; T122-G125 WeakPolarHBondContact O-CA 3.38Å; T122-G125 PolarHBondContact O-N 2.87Å; L123-G125 VanDerWaalsContact C-N 3.31Å; L123-G125 PolarHBondContact O-N 2.91Å; G125-G128 PolarHBondContact O-N 2.91Å; G125-K129 PolarHBondContact O-N 3.49Å |
| 126 | S | 88.6 | Confident | 89.4 | Confident | 19 Ų | 19 | 24.9 Ų | 24.9 | 13% | 0.133 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.9 | -48.5 | 179.2 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | T122 L123 G128 K129 T130 Y177 | T122-S126 PolarHBondContact O-N 3.25Å; T122-S126 PolarHBondContact O-OG 3.3Å; T122-S126 VanDerWaalsContact O-OG 3.11Å; L123-S126 PolarHBondContact O-N 2.89Å; S126-G128 VanDerWaalsContact C-N 3.27Å; S126-G128 PolarHBondContact O-N 2.84Å; S126-K129 WeakPolarHBondContact O-CA 3.32Å; S126-K129 WeakPolarHBondContact O-CB 3.28Å; S126-K129 PolarHBondContact O-N 3.05Å; S126-T130 PolarHBondContact O-N 3.03Å; S126-T130 PolarHBondContact O-OG1 3.39Å; S126-Y177 WeakPolarHBondContact CB-OH 3.49Å; S126-Y177 PolarHBondContact O-OH 3.43Å |
| 127 | V | 91.8 | Very high | 89.7 | Confident | 30 Ų | 30 | 23.5 Ų | 23.5 | 18% | 0.182 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.2 | -43.8 | 174.4 | 169.5 | 0 | 0 | 0 | 0 | 111 | L123 K129 T130 M131 Y177 | L123-V127 HydrophobicContact CD1-CG2 3.91Å; L123-V127 HydrophobicContact CG-CG2 4.28Å; L123-V127 WeakPolarHBondContact O-CB 3.28Å; L123-V127 VanDerWaalsContact O-CG2 3.24Å; L123-V127 WeakPolarHBondContact O-CG2 3.28Å; L123-V127 PolarHBondContact O-N 3.06Å; V127-K129 VanDerWaalsContact C-N 3.34Å; V127-K129 PolarHBondContact O-N 2.91Å; V127-T130 PolarHBondContact O-N 2.96Å; V127-M131 HydrophobicContact CG1-CE 3.61Å; V127-M131 HydrophobicContact CG1-CG 4.41Å; V127-M131 HydrophobicContact CG1-SD 4.19Å; V127-M131 WeakPolarHBondContact O-CB 3.34Å; V127-M131 VanDerWaalsContact O-CG 3.24Å; V127-M131 WeakPolarHBondContact O-CG 3.38Å; V127-M131 PolarHBondContact O-N 3.12Å; V127-Y177 HydrophobicContact CB-CE2 4.35Å; V127-Y177 HydrophobicContact CG2-CD1 4.45Å; V127-Y177 HydrophobicContact CG2-CD2 3.63Å; V127-Y177 HydrophobicContact CG2-CE1 4.46Å; V127-Y177 HydrophobicContact CG2-CE2 3.69Å; V127-Y177 HydrophobicContact CG2-CG 4.08Å; V127-Y177 PolarHBondContact N-OH 3.37Å |
| 128 | G | 93 | Very high | 89.9 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.4 | -43.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L124 G125 S126 M131 I132 | L124-G128 PolarHBondContact O-N 3.34Å; G125-G128 PolarHBondContact O-N 2.91Å; S126-G128 VanDerWaalsContact C-N 3.27Å; S126-G128 PolarHBondContact O-N 2.84Å; G128-M131 PolarHBondContact O-N 3.1Å; G128-I132 VanDerWaalsContact O-CG1 3.3Å; G128-I132 WeakPolarHBondContact O-CG1 3.23Å; G128-I132 PolarHBondContact O-N 3.02Å |
| 129 | K | 89.9 | Confident | 90 | Very high | 34 Ų | 34 | 20.5 Ų | 20.5 | 15% | 0.148 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.7 | -50.6 | 176.7 | -174.6 | -169.1 | 176.3 | -145.3 | 0 | 111.7 | G125 S126 V127 M131 I132 V133 E211 | G125-K129 PolarHBondContact O-N 3.49Å; S126-K129 WeakPolarHBondContact O-CA 3.32Å; S126-K129 WeakPolarHBondContact O-CB 3.28Å; S126-K129 PolarHBondContact O-N 3.05Å; V127-K129 VanDerWaalsContact C-N 3.34Å; V127-K129 PolarHBondContact O-N 2.91Å; K129-M131 VanDerWaalsContact C-N 3.29Å; K129-M131 PolarHBondContact O-N 3.21Å; K129-I132 WeakPolarHBondContact O-CB 3.06Å; K129-I132 PolarHBondContact O-N 2.96Å; K129-V133 PolarHBondContact O-N 3.42Å; K129-V133 VanDerWaalsContact O-N 3.17Å; K129-E211 WeakPolarHBondContact CE-OE2 3.37Å; K129-E211 IonicContact NZ-OE2 2.71Å; K129-E211 PolarHBondContact NZ-OE2 3.39Å |
| 130 | T | 91.5 | Very high | 90.1 | Very high | 5 Ų | 5 | 20.3 Ų | 20.3 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.7 | -42.9 | 177.7 | -51.4 | 0 | 0 | 0 | 0 | 110.9 | S126 V127 I132 V133 D134 Y177 E211 | S126-T130 PolarHBondContact O-N 3.03Å; S126-T130 PolarHBondContact O-OG1 3.39Å; V127-T130 PolarHBondContact O-N 2.96Å; T130-I132 VanDerWaalsContact C-N 3.32Å; T130-I132 PolarHBondContact O-N 3.31Å; T130-V133 PolarHBondContact O-N 2.98Å; T130-V133 VanDerWaalsContact O-N 3.16Å; T130-D134 WeakPolarHBondContact O-CB 3.38Å; T130-D134 PolarHBondContact O-N 3.49Å; T130-Y177 HydrophobicContact CG2-CE2 4.45Å; T130-Y177 WeakPolarHBondContact OG1-CE2 3.31Å; T130-Y177 PolarHBondContact OG1-OH 3.44Å; T130-E211 WeakPolarHBondContact CA-OE1 3.18Å; T130-E211 WeakPolarHBondContact CB-OE1 3.35Å; T130-E211 PolarHBondContact OG1-OE1 2.84Å |
| 131 | M | 92.5 | Very high | 90.1 | Very high | 38 Ų | 38 | 21.1 Ų | 21.1 | 19% | 0.187 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.7 | -36.3 | 175.2 | -72.9 | -178 | 178.9 | 0 | 0 | 113 | S85 V127 G128 K129 V133 F135 V169 | S85-M131 WeakPolarHBondContact OG-CB 3.18Å; V127-M131 HydrophobicContact CG1-CE 3.61Å; V127-M131 HydrophobicContact CG1-CG 4.41Å; V127-M131 HydrophobicContact CG1-SD 4.19Å; V127-M131 WeakPolarHBondContact O-CB 3.34Å; V127-M131 VanDerWaalsContact O-CG 3.24Å; V127-M131 WeakPolarHBondContact O-CG 3.38Å; V127-M131 PolarHBondContact O-N 3.12Å; G128-M131 PolarHBondContact O-N 3.1Å; K129-M131 VanDerWaalsContact C-N 3.29Å; K129-M131 PolarHBondContact O-N 3.21Å; M131-V133 VanDerWaalsContact C-N 3.34Å; M131-F135 HydrophobicContact CB-CD2 4.13Å; M131-F135 HydrophobicContact CB-CE2 3.97Å; M131-F135 HydrophobicContact CG-CE2 4.34Å; M131-F135 WeakPolarHBondContact O-CB 3.25Å; M131-F135 WeakPolarHBondContact O-CD2 3.48Å; M131-F135 WeakPolarHBondContact O-CG 3.43Å; M131-F135 PolarHBondContact O-N 3.5Å; M131-V169 HydrophobicContact CG-CG1 4.23Å |
| 132 | I | 92 | Very high | 90 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.3 | -46.8 | 174.9 | -68.4 | 159.8 | 0 | 0 | 0 | 110 | Y86 H89 G128 K129 T130 S136 F265 | Y86-I132 HydrophobicContact CD1-CD1 3.51Å; Y86-I132 HydrophobicContact CD1-CG1 4.28Å; Y86-I132 HydrophobicContact CD2-CD1 4.27Å; Y86-I132 HydrophobicContact CD2-CG1 4.14Å; Y86-I132 HydrophobicContact CE1-CD1 3.61Å; Y86-I132 HydrophobicContact CE1-CG1 4.32Å; Y86-I132 HydrophobicContact CE1-CG2 4.39Å; Y86-I132 HydrophobicContact CE2-CD1 4.34Å; Y86-I132 HydrophobicContact CE2-CG1 4.17Å; Y86-I132 HydrophobicContact CE2-CG2 3.98Å; Y86-I132 HydrophobicContact CG-CD1 3.86Å; Y86-I132 HydrophobicContact CG-CG1 4.19Å; H89-I132 HydrophobicContact CB-CD1 4.13Å; G128-I132 VanDerWaalsContact O-CG1 3.3Å; G128-I132 WeakPolarHBondContact O-CG1 3.23Å; G128-I132 PolarHBondContact O-N 3.02Å; K129-I132 WeakPolarHBondContact O-CB 3.06Å; K129-I132 PolarHBondContact O-N 2.96Å; T130-I132 VanDerWaalsContact C-N 3.32Å; T130-I132 PolarHBondContact O-N 3.31Å; I132-S136 WeakPolarHBondContact O-CB 3.26Å; I132-S136 PolarHBondContact O-N 3.03Å; I132-S136 PolarHBondContact O-OG 3.45Å; I132-F265 HydrophobicContact CB-CE2 4.49Å; I132-F265 HydrophobicContact CB-CZ 4.33Å; I132-F265 HydrophobicContact CD1-CE2 4.25Å; I132-F265 HydrophobicContact CG2-CD1 4.33Å; I132-F265 HydrophobicContact CG2-CD2 4.12Å; I132-F265 HydrophobicContact CG2-CE1 4.04Å; I132-F265 HydrophobicContact CG2-CE2 3.8Å; I132-F265 HydrophobicContact CG2-CG 4.36Å; I132-F265 HydrophobicContact CG2-CZ 3.75Å |
| 133 | V | 91.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.2 | -49.2 | 179 | 178.8 | 0 | 0 | 0 | 0 | 110.6 | K129 T130 M131 F135 S136 L137 F214 I215 I218 F265 | K129-V133 PolarHBondContact O-N 3.42Å; K129-V133 VanDerWaalsContact O-N 3.17Å; T130-V133 PolarHBondContact O-N 2.98Å; T130-V133 VanDerWaalsContact O-N 3.16Å; M131-V133 VanDerWaalsContact C-N 3.34Å; V133-F135 PolarHBondContact O-N 3.06Å; V133-S136 VanDerWaalsContact O-CB 3.32Å; V133-S136 WeakPolarHBondContact O-CB 3.5Å; V133-S136 PolarHBondContact O-N 3.35Å; V133-L137 PolarHBondContact O-N 2.92Å; V133-F214 HydrophobicContact CG1-CB 3.59Å; V133-F214 HydrophobicContact CG1-CD2 4.19Å; V133-F214 HydrophobicContact CG1-CG 4.42Å; V133-I215 HydrophobicContact CG1-CG1 4.38Å; V133-I215 HydrophobicContact CG2-CD1 4.25Å; V133-I215 HydrophobicContact CG2-CG1 4.14Å; V133-I218 HydrophobicContact CG1-CD1 4.13Å; V133-F265 HydrophobicContact CG2-CE1 4Å; V133-F265 HydrophobicContact CG2-CZ 4.26Å |
| 134 | D | 92.1 | Very high | 89.7 | Confident | 11 Ų | 11 | 19 Ų | 19 | 6% | 0.059 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62 | -48.4 | -178.7 | -75.4 | -8.5 | 0 | 0 | 0 | 112.4 | T130 S136 L137 I138 V169 H172 | T130-D134 WeakPolarHBondContact O-CB 3.38Å; T130-D134 PolarHBondContact O-N 3.49Å; D134-S136 VanDerWaalsContact C-N 3.25Å; D134-S136 PolarHBondContact O-N 2.95Å; D134-L137 PolarHBondContact O-N 3.05Å; D134-I138 WeakPolarHBondContact O-CB 3.3Å; D134-I138 WeakPolarHBondContact O-CG1 3.44Å; D134-I138 PolarHBondContact O-N 2.91Å; D134-V169 HydrophobicContact CB-CB 4.35Å; D134-V169 HydrophobicContact CB-CG1 3.79Å; D134-V169 HydrophobicContact CB-CG2 3.87Å; D134-H172 IonicContact OD1-CE1 3.43Å; D134-H172 IonicContact OD1-ND1 2.82Å; D134-H172 PolarHBondContact OD1-ND1 2.99Å; D134-H172 IonicContact OD2-CE1 3.51Å; D134-H172 IonicContact OD2-CG 3.26Å; D134-H172 IonicContact OD2-ND1 3.5Å; D134-H172 PolarHBondContact OD2-ND1 3.29Å |
| 135 | F | 91.5 | Very high | 89.4 | Confident | 7 Ų | 7 | 18.8 Ų | 18.8 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.9 | -32.7 | 177.4 | -71.9 | -49.5 | 0 | 0 | 0 | 112 | L81 S85 M131 V133 T139 M166 V169 | L81-F135 HydrophobicContact CB-CD1 4.34Å; L81-F135 HydrophobicContact CB-CD2 4.16Å; L81-F135 HydrophobicContact CB-CE1 4.24Å; L81-F135 HydrophobicContact CB-CE2 4.04Å; L81-F135 HydrophobicContact CB-CG 4.33Å; L81-F135 HydrophobicContact CB-CZ 4.1Å; L81-F135 HydrophobicContact CD1-CD1 4.4Å; L81-F135 HydrophobicContact CD1-CE1 3.97Å; L81-F135 HydrophobicContact CD1-CZ 4.33Å; L81-F135 HydrophobicContact CD2-CZ 4.47Å; S85-F135 WeakPolarHBondContact OG-CD2 3.32Å; S85-F135 VanDerWaalsContact OG-CE2 3.25Å; S85-F135 WeakPolarHBondContact OG-CE2 3.44Å; M131-F135 HydrophobicContact CB-CD2 4.13Å; M131-F135 HydrophobicContact CB-CE2 3.97Å; M131-F135 HydrophobicContact CG-CE2 4.34Å; M131-F135 WeakPolarHBondContact O-CB 3.25Å; M131-F135 WeakPolarHBondContact O-CD2 3.48Å; M131-F135 WeakPolarHBondContact O-CG 3.43Å; M131-F135 PolarHBondContact O-N 3.5Å; V133-F135 PolarHBondContact O-N 3.06Å; F135-T139 VanDerWaalsContact O-CB 3.31Å; F135-T139 WeakPolarHBondContact O-CB 3.5Å; F135-T139 PolarHBondContact O-N 3.36Å; F135-T139 PolarHBondContact O-OG1 3.16Å; F135-M166 HydrophobicContact CE1-CE 4.1Å; F135-M166 HydrophobicContact CE1-SD 3.47Å; F135-M166 WeakPolarHBondContact CE1-SD 3.29Å; F135-M166 HydrophobicContact CZ-CE 3.77Å; F135-M166 HydrophobicContact CZ-SD 3.78Å; F135-V169 HydrophobicContact CD1-CG2 3.96Å; F135-V169 HydrophobicContact CE1-CB 4.1Å; F135-V169 HydrophobicContact CE1-CG1 4.07Å; F135-V169 HydrophobicContact CE1-CG2 3.7Å; F135-V169 HydrophobicContact CE2-CG1 4.29Å; F135-V169 HydrophobicContact CZ-CB 4.3Å; F135-V169 HydrophobicContact CZ-CG1 3.88Å; F135-V169 HydrophobicContact CZ-CG2 4.35Å |
| 136 | S | 89.7 | Confident | 89.1 | Confident | 9 Ų | 9 | 19.1 Ų | 19.1 | 6% | 0.063 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65 | -46.7 | 174.5 | -71.9 | 0 | 0 | 0 | 0 | 112 | I132 V133 D134 T139 A140 I262 | I132-S136 WeakPolarHBondContact O-CB 3.26Å; I132-S136 PolarHBondContact O-N 3.03Å; I132-S136 PolarHBondContact O-OG 3.45Å; V133-S136 VanDerWaalsContact O-CB 3.32Å; V133-S136 WeakPolarHBondContact O-CB 3.5Å; V133-S136 PolarHBondContact O-N 3.35Å; D134-S136 VanDerWaalsContact C-N 3.25Å; D134-S136 PolarHBondContact O-N 2.95Å; S136-T139 WeakPolarHBondContact O-CB 3.18Å; S136-T139 PolarHBondContact O-N 2.97Å; S136-A140 PolarHBondContact O-N 3.17Å; S136-I262 WeakPolarHBondContact OG-CD1 3.48Å |
| 137 | L | 89.9 | Confident | 88.7 | Confident | 24 Ų | 24 | 19.9 Ų | 19.9 | 13% | 0.126 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.9 | -47 | 175.4 | -178.6 | 60.6 | 0 | 0 | 0 | 111.8 | V133 D134 T139 A140 I141 F214 L217 I218 I221 | V133-L137 PolarHBondContact O-N 2.92Å; D134-L137 PolarHBondContact O-N 3.05Å; L137-T139 PolarHBondContact O-N 2.86Å; L137-A140 WeakPolarHBondContact O-CB 3.24Å; L137-A140 PolarHBondContact O-N 2.7Å; L137-A140 VanDerWaalsContact O-N 3.11Å; L137-I141 HydrophobicContact CD1-CD1 4.14Å; L137-I141 HydrophobicContact CD1-CG1 4.43Å; L137-I141 HydrophobicContact CG-CD1 4Å; L137-I141 WeakPolarHBondContact O-CG1 3.42Å; L137-I141 PolarHBondContact O-N 2.99Å; L137-F214 HydrophobicContact CD2-CD1 4.33Å; L137-F214 HydrophobicContact CD2-CD2 4.49Å; L137-F214 HydrophobicContact CD2-CG 4.25Å; L137-L217 HydrophobicContact CD1-CD2 4.01Å; L137-L217 HydrophobicContact CD1-CG 4.39Å; L137-I218 HydrophobicContact CB-CD1 3.95Å; L137-I218 HydrophobicContact CB-CG1 3.84Å; L137-I218 HydrophobicContact CD1-CG1 3.85Å; L137-I218 HydrophobicContact CG-CG1 4.44Å; L137-I221 HydrophobicContact CD1-CD1 4.17Å |
| 138 | I | 89.8 | Confident | 88.3 | Confident | 22 Ų | 22 | 23 Ų | 23 | 11% | 0.113 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.5 | -36.9 | 176.1 | -74.4 | 174.1 | 0 | 0 | 0 | 111.4 | D134 D142 K165 V169 | D134-I138 WeakPolarHBondContact O-CB 3.3Å; D134-I138 WeakPolarHBondContact O-CG1 3.44Å; D134-I138 PolarHBondContact O-N 2.91Å; I138-D142 WeakPolarHBondContact O-CB 3.34Å; I138-D142 PolarHBondContact O-N 3.34Å; I138-K165 HydrophobicContact CD1-CB 4.17Å; I138-K165 HydrophobicContact CG2-CB 3.93Å; I138-K165 HydrophobicContact CG2-CD 3.48Å; I138-K165 VanDerWaalsContact CG2-CD 3.48Å; I138-K165 HydrophobicContact CG2-CG 3.63Å; I138-V169 HydrophobicContact CD1-CG2 3.14Å |
| 139 | T | 86.4 | Confident | 87.9 | Confident | 4 Ų | 4 | 29.1 Ų | 29.1 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.5 | -44.6 | 174.7 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | I78 F135 S136 L137 D142 R143 L258 | I78-T139 WeakPolarHBondContact CG2-OG1 3.45Å; F135-T139 VanDerWaalsContact O-CB 3.31Å; F135-T139 WeakPolarHBondContact O-CB 3.5Å; F135-T139 PolarHBondContact O-N 3.36Å; F135-T139 PolarHBondContact O-OG1 3.16Å; S136-T139 WeakPolarHBondContact O-CB 3.18Å; S136-T139 PolarHBondContact O-N 2.97Å; L137-T139 PolarHBondContact O-N 2.86Å; T139-D142 WeakPolarHBondContact O-CB 3.41Å; T139-D142 PolarHBondContact O-N 2.96Å; T139-R143 HydrophobicContact CG2-CG 4.5Å; T139-R143 VanDerWaalsContact O-CG 3.22Å; T139-R143 WeakPolarHBondContact O-CG 3.49Å; T139-R143 PolarHBondContact O-N 3.42Å; T139-L258 HydrophobicContact CG2-CD1 3.64Å; T139-L258 HydrophobicContact CG2-CD2 4.08Å |
| 140 | A | 87 | Confident | 87.3 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60 | -49.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S136 L137 D142 R143 C144 I221 Y222 | S136-A140 PolarHBondContact O-N 3.17Å; L137-A140 WeakPolarHBondContact O-CB 3.24Å; L137-A140 PolarHBondContact O-N 2.7Å; L137-A140 VanDerWaalsContact O-N 3.11Å; A140-D142 PolarHBondContact O-N 3.5Å; A140-R143 WeakPolarHBondContact O-CB 3.03Å; A140-R143 PolarHBondContact O-N 2.62Å; A140-C144 PolarHBondContact O-N 2.98Å; A140-C144 PolarHBondContact O-SG 3.36Å; A140-C144 VanDerWaalsContact O-SG 3.37Å; A140-I221 HydrophobicContact CB-CB 4.31Å; A140-I221 HydrophobicContact CB-CG2 3.77Å; A140-Y222 HydrophobicContact CB-CD1 4.04Å; A140-Y222 HydrophobicContact CB-CE1 3.62Å |
| 141 | I | 87.8 | Confident | 86.6 | Confident | 76 Ų | 76 | 38.3 Ų | 38.3 | 39% | 0.39 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 176.5 | -63.9 | 168.7 | 0 | 0 | 0 | 111.2 | L137 R143 C144 I145 | L137-I141 HydrophobicContact CD1-CD1 4.14Å; L137-I141 HydrophobicContact CD1-CG1 4.43Å; L137-I141 HydrophobicContact CG-CD1 4Å; L137-I141 WeakPolarHBondContact O-CG1 3.42Å; L137-I141 PolarHBondContact O-N 2.99Å; I141-R143 VanDerWaalsContact C-N 3.26Å; I141-R143 PolarHBondContact O-N 2.97Å; I141-C144 WeakPolarHBondContact O-CB 2.91Å; I141-C144 PolarHBondContact O-N 2.9Å; I141-I145 HydrophobicContact CG2-CD1 3.84Å; I141-I145 HydrophobicContact CG2-CG1 4.39Å; I141-I145 WeakPolarHBondContact O-CG1 3.32Å; I141-I145 PolarHBondContact O-N 3.3Å |
| 142 | D | 85.9 | Confident | 85.8 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.011 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.8 | -41.5 | 175.6 | -177.1 | 71.3 | 0 | 0 | 0 | 111.8 | I78 I138 T139 A140 I145 A146 Y153 K165 | I78-D142 HydrophobicContact CD1-CB 4.43Å; I138-D142 WeakPolarHBondContact O-CB 3.34Å; I138-D142 PolarHBondContact O-N 3.34Å; T139-D142 WeakPolarHBondContact O-CB 3.41Å; T139-D142 PolarHBondContact O-N 2.96Å; A140-D142 PolarHBondContact O-N 3.5Å; D142-I145 PolarHBondContact O-N 3.32Å; D142-A146 VanDerWaalsContact O-CB 3.24Å; D142-A146 WeakPolarHBondContact O-CB 3.46Å; D142-A146 PolarHBondContact O-N 3.24Å; D142-Y153 WeakPolarHBondContact OD1-CE2 3.43Å; D142-Y153 PolarHBondContact OD1-OH 2.94Å; D142-Y153 PolarHBondContact OD2-OH 3.45Å; D142-K165 VanDerWaalsContact CB-NZ 3.3Å; D142-K165 IonicContact OD1-NZ 2.79Å; D142-K165 PolarHBondContact OD1-NZ 2.89Å |
| 143 | R | 84.5 | Confident | 84.9 | Confident | 26 Ų | 26 | 43.6 Ų | 43.6 | 10% | 0.098 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.9 | -43.8 | 177.3 | -66.7 | -70.7 | 162.5 | -124.7 | -26.6 | 111.3 | T75 T139 A140 I141 I145 A146 I147 L225 L258 | T75-R143 VanDerWaalsContact OG1-CZ 3.3Å; T75-R143 PolarHBondContact OG1-NH1 3.03Å; T75-R143 PolarHBondContact OG1-NH2 3.23Å; T139-R143 HydrophobicContact CG2-CG 4.5Å; T139-R143 VanDerWaalsContact O-CG 3.22Å; T139-R143 WeakPolarHBondContact O-CG 3.49Å; T139-R143 PolarHBondContact O-N 3.42Å; A140-R143 WeakPolarHBondContact O-CB 3.03Å; A140-R143 PolarHBondContact O-N 2.62Å; I141-R143 VanDerWaalsContact C-N 3.26Å; I141-R143 PolarHBondContact O-N 2.97Å; R143-I145 VanDerWaalsContact C-N 3.35Å; R143-I145 PolarHBondContact O-N 3.4Å; R143-A146 PolarHBondContact O-N 2.88Å; R143-I147 WeakPolarHBondContact O-CB 3.12Å; R143-I147 WeakPolarHBondContact O-CD1 3.16Å; R143-I147 WeakPolarHBondContact O-CG1 3.33Å; R143-I147 PolarHBondContact O-N 3.49Å; R143-L225 HydrophobicContact CB-CD1 3.72Å; R143-L258 HydrophobicContact CG-CD1 4.48Å |
| 144 | C | 86.5 | Confident | 83.9 | Confident | 27 Ų | 27 | 45.1 Ų | 45.1 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -53.5 | -52.8 | 172.7 | -66.3 | 0 | 0 | 0 | 0 | 111.1 | A140 I141 A146 I147 F148 I221 L225 | A140-C144 PolarHBondContact O-N 2.98Å; A140-C144 PolarHBondContact O-SG 3.36Å; A140-C144 VanDerWaalsContact O-SG 3.37Å; I141-C144 WeakPolarHBondContact O-CB 2.91Å; I141-C144 PolarHBondContact O-N 2.9Å; C144-A146 VanDerWaalsContact C-N 3.34Å; C144-A146 PolarHBondContact O-N 3.36Å; C144-I147 PolarHBondContact O-N 2.8Å; C144-I147 VanDerWaalsContact O-N 3.14Å; C144-F148 HydrophobicContact CB-CD2 4.23Å; C144-F148 HydrophobicContact CB-CE2 4.36Å; C144-F148 WeakPolarHBondContact O-CD2 3.38Å; C144-F148 PolarHBondContact O-N 3.34Å; C144-I221 WeakPolarHBondContact SG-CG2 3.31Å; C144-L225 HydrophobicContact CB-CD2 4.41Å |
| 145 | I | 85.6 | Confident | 83.1 | Confident | 52 Ų | 52 | 50.2 Ų | 50.2 | 27% | 0.267 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | -178.6 | -62.8 | 168.2 | 0 | 0 | 0 | 110.9 | I141 D142 R143 I147 F149 W152 Y153 | I141-I145 HydrophobicContact CG2-CD1 3.84Å; I141-I145 HydrophobicContact CG2-CG1 4.39Å; I141-I145 WeakPolarHBondContact O-CG1 3.32Å; I141-I145 PolarHBondContact O-N 3.3Å; D142-I145 PolarHBondContact O-N 3.32Å; R143-I145 VanDerWaalsContact C-N 3.35Å; R143-I145 PolarHBondContact O-N 3.4Å; I145-I147 PolarHBondContact O-N 2.91Å; I145-F149 HydrophobicContact CG2-CD2 4.48Å; I145-F149 CarbonylContact O-C 3.56Å; I145-F149 WeakPolarHBondContact O-CA 3.34Å; I145-F149 WeakPolarHBondContact O-CB 3.5Å; I145-F149 PolarHBondContact O-N 2.99Å; I145-W152 HydrophobicContact CG2-CE3 4.06Å; I145-W152 HydrophobicContact CG2-CZ3 3.9Å; I145-Y153 HydrophobicContact CG2-CD2 4.03Å |
| 146 | A | 82.7 | Confident | 81.8 | Confident | 14 Ų | 14 | 61.8 Ų | 61.8 | 12% | 0.116 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65 | -24.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | D142 R143 C144 Y153 | D142-A146 VanDerWaalsContact O-CB 3.24Å; D142-A146 WeakPolarHBondContact O-CB 3.46Å; D142-A146 PolarHBondContact O-N 3.24Å; R143-A146 PolarHBondContact O-N 2.88Å; C144-A146 VanDerWaalsContact C-N 3.34Å; C144-A146 PolarHBondContact O-N 3.36Å; A146-Y153 HydrophobicContact CB-CD1 3.88Å; A146-Y153 HydrophobicContact CB-CD2 4.05Å; A146-Y153 HydrophobicContact CB-CE1 3.9Å; A146-Y153 HydrophobicContact CB-CE2 4.05Å; A146-Y153 HydrophobicContact CB-CG 3.97Å |
| 147 | I | 80.8 | Confident | 80.6 | Confident | 35 Ų | 35 | 64.5 Ų | 64.5 | 18% | 0.179 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -87.5 | -49.1 | 179.5 | -72.2 | 166.5 | 0 | 0 | 0 | 110.5 | R143 C144 I145 L225 W228 V229 | R143-I147 WeakPolarHBondContact O-CB 3.12Å; R143-I147 WeakPolarHBondContact O-CD1 3.16Å; R143-I147 WeakPolarHBondContact O-CG1 3.33Å; R143-I147 PolarHBondContact O-N 3.49Å; C144-I147 PolarHBondContact O-N 2.8Å; C144-I147 VanDerWaalsContact O-N 3.14Å; I145-I147 PolarHBondContact O-N 2.91Å; I147-L225 HydrophobicContact CD1-CD2 3.77Å; I147-W228 HydrophobicContact CG2-CE3 3.33Å; I147-W228 HydrophobicContact CG2-CH2 4.14Å; I147-W228 HydrophobicContact CG2-CZ3 3.11Å; I147-V229 HydrophobicContact CD1-CG2 3.54Å; I147-V229 HydrophobicContact CG1-CG2 4.37Å |
| 148 | F | 83.7 | Confident | 79.6 | Confident | 95 Ų | 95 | 68.8 Ų | 68.8 | 42% | 0.417 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -77.7 | -30.2 | -177.8 | -69.2 | -64.2 | 0 | 0 | 0 | 113.6 | C144 P150 W228 | C144-F148 HydrophobicContact CB-CD2 4.23Å; C144-F148 HydrophobicContact CB-CE2 4.36Å; C144-F148 WeakPolarHBondContact O-CD2 3.38Å; C144-F148 PolarHBondContact O-N 3.34Å; F148-P150 VanDerWaalsContact C-CD 3.45Å; F148-P150 WeakPolarHBondContact O-CD 3.12Å; F148-W228 HydrophobicContact CD1-CH2 4.12Å; F148-W228 HydrophobicContact CD1-CZ2 4.14Å; F148-W228 HydrophobicContact CE1-CD2 4.33Å; F148-W228 AromaticContact CE1-CE2 3.86Å; F148-W228 HydrophobicContact CE1-CH2 4.03Å; F148-W228 AromaticContact CE1-CZ2 3.69Å; F148-W228 HydrophobicContact CE1-CZ2 3.69Å |
| 149 | F | 83.8 | Confident | 78.7 | Confident | 130 Ų | 130 | 73.5 Ų | 73.5 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | trans | -128.1 | 59.5 | -174.7 | -56.1 | -78.1 | 0 | 0 | 0 | 112.6 | I145 L151 W152 Y153 | I145-F149 HydrophobicContact CG2-CD2 4.48Å; I145-F149 CarbonylContact O-C 3.56Å; I145-F149 WeakPolarHBondContact O-CA 3.34Å; I145-F149 WeakPolarHBondContact O-CB 3.5Å; I145-F149 PolarHBondContact O-N 2.99Å; F149-L151 VanDerWaalsContact C-N 3.33Å; F149-L151 PolarHBondContact O-N 3.24Å; F149-W152 HydrophobicContact CB-CB 4.27Å; F149-W152 PolarHBondContact O-N 3.23Å; F149-Y153 VanDerWaalsContact O-CB 3.28Å; F149-Y153 WeakPolarHBondContact O-CB 3.35Å; F149-Y153 PolarHBondContact O-N 3.36Å | ||
| 150 | P | 77.3 | Confident | 78.3 | Confident | 76 Ų | 76 | 83.2 Ų | 83.2 | 49% | 0.494 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.5 | -35.8 | -172.4 | 25.8 | -34.9 | 0 | 0 | 0 | 113.3 | F148 G154 | F148-P150 VanDerWaalsContact C-CD 3.45Å; F148-P150 WeakPolarHBondContact O-CD 3.12Å; P150-G154 PolarHBondContact O-N 3.35Å |
| 151 | L | 78.1 | Confident | 78 | Confident | 155 Ų | 155 | 84.9 Ų | 84.9 | 81% | 0.812 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -66.4 | -47.3 | 179.6 | -66.6 | 176.6 | 0 | 0 | 0 | 111.5 | F149 G154 | F149-L151 VanDerWaalsContact C-N 3.33Å; F149-L151 PolarHBondContact O-N 3.24Å; L151-G154 PolarHBondContact O-N 2.75Å |
| 152 | W | 76 | Confident | 77.8 | Confident | 120 Ų | 120 | 81.8 Ų | 81.8 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66 | -44.4 | 177.9 | -174.4 | 82.7 | 0 | 0 | 0 | 111.3 | I145 F149 G154 Q155 L161 | I145-W152 HydrophobicContact CG2-CE3 4.06Å; I145-W152 HydrophobicContact CG2-CZ3 3.9Å; F149-W152 HydrophobicContact CB-CB 4.27Å; F149-W152 PolarHBondContact O-N 3.23Å; W152-G154 PolarHBondContact O-N 3.48Å; W152-Q155 PolarHBondContact O-N 2.99Å; W152-L161 HydrophobicContact CH2-CD1 4.13Å; W152-L161 HydrophobicContact CH2-CD2 4.21Å; W152-L161 HydrophobicContact CZ3-CD1 4.07Å |
| 153 | Y | 72.4 | Confident | 77.7 | Confident | 30 Ų | 30 | 90 Ų | 90 | 12% | 0.118 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.1 | -30.6 | 177.5 | -164.8 | -92.7 | 0 | 0 | 0 | 112.8 | D142 I145 A146 F149 Q155 R158 | D142-Y153 WeakPolarHBondContact OD1-CE2 3.43Å; D142-Y153 PolarHBondContact OD1-OH 2.94Å; D142-Y153 PolarHBondContact OD2-OH 3.45Å; I145-Y153 HydrophobicContact CG2-CD2 4.03Å; A146-Y153 HydrophobicContact CB-CD1 3.88Å; A146-Y153 HydrophobicContact CB-CD2 4.05Å; A146-Y153 HydrophobicContact CB-CE1 3.9Å; A146-Y153 HydrophobicContact CB-CE2 4.05Å; A146-Y153 HydrophobicContact CB-CG 3.97Å; F149-Y153 VanDerWaalsContact O-CB 3.28Å; F149-Y153 WeakPolarHBondContact O-CB 3.35Å; F149-Y153 PolarHBondContact O-N 3.36Å; Y153-Q155 VanDerWaalsContact C-N 3.33Å; Y153-Q155 PolarHBondContact O-N 2.92Å; Y153-R158 VanDerWaalsContact O-CG 3.23Å; Y153-R158 WeakPolarHBondContact O-CG 3.45Å; Y153-R158 PolarHBondContact O-NE 3.4Å |
| 154 | G | 70 | Confident | 77.9 | Confident | 32 Ų | 32 | 95.1 Ų | 95.1 | 33% | 0.33 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.8 | -25.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | P150 L151 W152 R158 | P150-G154 PolarHBondContact O-N 3.35Å; L151-G154 PolarHBondContact O-N 2.75Å; W152-G154 PolarHBondContact O-N 3.48Å; G154-R158 PolarHBondContact O-NE 3Å; G154-R158 PolarHBondContact O-NH2 2.95Å |
| 155 | Q | 74.9 | Confident | 77.9 | Confident | 118 Ų | 118 | 95.1 Ų | 95.1 | 55% | 0.551 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -73.1 | 173.8 | -174.3 | -69.9 | -178.2 | -9.7 | 0 | 0 | 113.9 | W152 Y153 I157 R158 | W152-Q155 PolarHBondContact O-N 2.99Å; Y153-Q155 VanDerWaalsContact C-N 3.33Å; Y153-Q155 PolarHBondContact O-N 2.92Å; Q155-I157 PolarHBondContact O-N 3.3Å; Q155-R158 PolarHBondContact O-N 2.94Å |
| 156 | R | 64.1 | Low | 78 | Confident | 251 Ų | 251 | 94.9 Ų | 94.9 | 95% | 0.947 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -2.7 | -173.2 | -155.1 | -175.6 | -110.5 | -175.7 | -2.6 | 115 | R158 | R156-R158 VanDerWaalsContact C-N 3.29Å; R156-R158 PolarHBondContact O-N 2.85Å |
| 157 | I | 65.2 | Low | 78.4 | Confident | 65 Ų | 65 | 97 Ų | 97 | 33% | 0.333 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -11.1 | -176.9 | -64.6 | 167.7 | 0 | 0 | 0 | 112.6 | Q155 F159 R160 L161 | Q155-I157 PolarHBondContact O-N 3.3Å; I157-F159 PolarHBondContact O-N 2.84Å; I157-R160 PolarHBondContact O-N 3.28Å; I157-L161 HydrophobicContact CG2-CD1 3.9Å; I157-L161 HydrophobicContact CG2-CD2 4.26Å; I157-L161 HydrophobicContact CG2-CG 3.75Å; I157-L161 PolarHBondContact O-N 3.47Å; I157-L161 VanDerWaalsContact O-N 3.16Å |
| 158 | R | 69.7 | Low | 78.9 | Confident | 115 Ų | 115 | 99.2 Ų | 99.2 | 43% | 0.434 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -51.1 | -44.6 | -175.4 | -73.2 | -171.1 | -131 | 167.2 | 2.8 | 115.8 | N74 Y153 G154 Q155 R156 | N74-R158 PolarHBondContact ND2-O 3.47Å; Y153-R158 VanDerWaalsContact O-CG 3.23Å; Y153-R158 WeakPolarHBondContact O-CG 3.45Å; Y153-R158 PolarHBondContact O-NE 3.4Å; G154-R158 PolarHBondContact O-NE 3Å; G154-R158 PolarHBondContact O-NH2 2.95Å; Q155-R158 PolarHBondContact O-N 2.94Å; R156-R158 VanDerWaalsContact C-N 3.29Å; R156-R158 PolarHBondContact O-N 2.85Å |
| 159 | F | 70.3 | Confident | 79.2 | Confident | 121 Ų | 121 | 94.8 Ų | 94.8 | 53% | 0.531 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -73 | -39.5 | -177.8 | -76.8 | -74.6 | 0 | 0 | 0 | 112.2 | I157 L161 V162 Y163 | I157-F159 PolarHBondContact O-N 2.84Å; F159-L161 VanDerWaalsContact C-N 3.28Å; F159-L161 PolarHBondContact O-N 3.07Å; F159-V162 WeakPolarHBondContact O-CB 3.46Å; F159-V162 PolarHBondContact O-N 3.11Å; F159-V162 VanDerWaalsContact O-N 3.15Å; F159-Y163 WeakPolarHBondContact O-CD2 3.27Å; F159-Y163 PolarHBondContact O-N 3.4Å |
| 160 | R | 79 | Confident | 79.6 | Confident | 207 Ų | 207 | 92.2 Ų | 92.2 | 78% | 0.781 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.9 | -38.3 | 177.7 | -70.9 | -173.8 | 179 | 177.5 | -1.7 | 111.6 | I157 V162 Y163 F164 | I157-R160 PolarHBondContact O-N 3.28Å; R160-V162 VanDerWaalsContact C-N 3.28Å; R160-V162 PolarHBondContact O-N 2.83Å; R160-Y163 PolarHBondContact O-N 3.4Å; R160-F164 PolarHBondContact O-N 3.01Å |
| 161 | L | 80.4 | Confident | 80.3 | Confident | 36 Ų | 36 | 90.6 Ų | 90.6 | 19% | 0.188 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.2 | -34.7 | 176.3 | -69.6 | 171.5 | 0 | 0 | 0 | 112.8 | W152 I157 F159 K165 | W152-L161 HydrophobicContact CH2-CD1 4.13Å; W152-L161 HydrophobicContact CH2-CD2 4.21Å; W152-L161 HydrophobicContact CZ3-CD1 4.07Å; I157-L161 HydrophobicContact CG2-CD1 3.9Å; I157-L161 HydrophobicContact CG2-CD2 4.26Å; I157-L161 HydrophobicContact CG2-CG 3.75Å; I157-L161 PolarHBondContact O-N 3.47Å; I157-L161 VanDerWaalsContact O-N 3.16Å; F159-L161 VanDerWaalsContact C-N 3.28Å; F159-L161 PolarHBondContact O-N 3.07Å; L161-K165 WeakPolarHBondContact O-CB 3.37Å; L161-K165 VanDerWaalsContact O-CD 3.31Å; L161-K165 WeakPolarHBondContact O-CD 3.44Å; L161-K165 WeakPolarHBondContact O-CG 3.45Å; L161-K165 PolarHBondContact O-N 3.32Å |
| 162 | V | 82.1 | Confident | 81 | Confident | 11 Ų | 11 | 85.3 Ų | 85.3 | 7% | 0.067 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.7 | -46.8 | 177.4 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | N74 F77 F159 R160 F164 K165 M166 | N74-V162 HydrophobicContact CB-CG2 4.18Å; F77-V162 HydrophobicContact CD1-CG1 3.3Å; F77-V162 HydrophobicContact CE1-CG1 3.15Å; F77-V162 HydrophobicContact CG-CG1 4.34Å; F77-V162 HydrophobicContact CZ-CG1 4.12Å; F159-V162 WeakPolarHBondContact O-CB 3.46Å; F159-V162 PolarHBondContact O-N 3.11Å; F159-V162 VanDerWaalsContact O-N 3.15Å; R160-V162 VanDerWaalsContact C-N 3.28Å; R160-V162 PolarHBondContact O-N 2.83Å; V162-F164 VanDerWaalsContact C-N 3.34Å; V162-F164 PolarHBondContact O-N 3.1Å; V162-K165 WeakPolarHBondContact O-CB 3.27Å; V162-K165 PolarHBondContact O-N 3.43Å; V162-M166 WeakPolarHBondContact O-CG 3.45Å; V162-M166 PolarHBondContact O-N 3.03Å |
| 163 | Y | 85.5 | Confident | 81.7 | Confident | 175 Ų | 175 | 79.9 Ų | 79.9 | 69% | 0.686 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.6 | -40.4 | 177.2 | -70.4 | -73.8 | 0 | 0 | 0 | 112.4 | F159 R160 K165 M166 A167 | F159-Y163 WeakPolarHBondContact O-CD2 3.27Å; F159-Y163 PolarHBondContact O-N 3.4Å; R160-Y163 PolarHBondContact O-N 3.4Å; Y163-K165 VanDerWaalsContact C-N 3.34Å; Y163-K165 PolarHBondContact O-N 3.45Å; Y163-M166 PolarHBondContact O-N 3.21Å; Y163-A167 WeakPolarHBondContact O-CB 3.4Å; Y163-A167 PolarHBondContact O-N 2.83Å |
| 164 | F | 87.8 | Confident | 82.6 | Confident | 132 Ų | 132 | 80.9 Ų | 80.9 | 58% | 0.579 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60.8 | -43.8 | 175.8 | -177.7 | -108.5 | 0 | 0 | 0 | 111.9 | R160 V162 A167 I168 | R160-F164 PolarHBondContact O-N 3.01Å; V162-F164 VanDerWaalsContact C-N 3.34Å; V162-F164 PolarHBondContact O-N 3.1Å; F164-A167 PolarHBondContact O-N 3.46Å; F164-I168 HydrophobicContact CD1-CD1 3.72Å; F164-I168 HydrophobicContact CE1-CD1 3.3Å; F164-I168 HydrophobicContact CE1-CG1 4.35Å; F164-I168 HydrophobicContact CE2-CD1 4.36Å; F164-I168 HydrophobicContact CG-CD1 4.43Å; F164-I168 HydrophobicContact CZ-CD1 3.66Å; F164-I168 HydrophobicContact CZ-CG1 4.35Å; F164-I168 WeakPolarHBondContact O-CG1 3.36Å; F164-I168 PolarHBondContact O-N 2.98Å |
| 165 | K | 86.9 | Confident | 83.6 | Confident | 28 Ų | 28 | 83.9 Ų | 83.9 | 12% | 0.122 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.2 | -46.6 | 174.4 | -73.4 | 164 | 178.5 | -168.4 | 0 | 112.3 | I138 D142 L161 V162 Y163 A167 I168 V169 | I138-K165 HydrophobicContact CD1-CB 4.17Å; I138-K165 HydrophobicContact CG2-CB 3.93Å; I138-K165 HydrophobicContact CG2-CD 3.48Å; I138-K165 VanDerWaalsContact CG2-CD 3.48Å; I138-K165 HydrophobicContact CG2-CG 3.63Å; D142-K165 VanDerWaalsContact CB-NZ 3.3Å; D142-K165 IonicContact OD1-NZ 2.79Å; D142-K165 PolarHBondContact OD1-NZ 2.89Å; L161-K165 WeakPolarHBondContact O-CB 3.37Å; L161-K165 VanDerWaalsContact O-CD 3.31Å; L161-K165 WeakPolarHBondContact O-CD 3.44Å; L161-K165 WeakPolarHBondContact O-CG 3.45Å; L161-K165 PolarHBondContact O-N 3.32Å; V162-K165 WeakPolarHBondContact O-CB 3.27Å; V162-K165 PolarHBondContact O-N 3.43Å; Y163-K165 VanDerWaalsContact C-N 3.34Å; Y163-K165 PolarHBondContact O-N 3.45Å; K165-A167 VanDerWaalsContact C-N 3.31Å; K165-A167 PolarHBondContact O-N 3.37Å; K165-I168 PolarHBondContact O-N 3.29Å; K165-V169 WeakPolarHBondContact O-CG2 3.43Å; K165-V169 PolarHBondContact O-N 3.28Å |
| 166 | M | 88.3 | Confident | 84.3 | Confident | 47 Ų | 47 | 79.2 Ų | 79.2 | 23% | 0.232 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.1 | -44.4 | 176.3 | -69.5 | -55.3 | -62.5 | 0 | 0 | 111.7 | L81 F135 V162 Y163 I168 V169 T170 | L81-M166 HydrophobicContact CD1-CE 4.21Å; L81-M166 HydrophobicContact CD1-CG 4.47Å; L81-M166 HydrophobicContact CD1-SD 3.21Å; L81-M166 WeakPolarHBondContact CD1-SD 3.15Å; L81-M166 HydrophobicContact CD2-CE 3.78Å; L81-M166 HydrophobicContact CD2-SD 3.94Å; L81-M166 HydrophobicContact CG-SD 4.18Å; F135-M166 HydrophobicContact CE1-CE 4.1Å; F135-M166 HydrophobicContact CE1-SD 3.47Å; F135-M166 WeakPolarHBondContact CE1-SD 3.29Å; F135-M166 HydrophobicContact CZ-CE 3.77Å; F135-M166 HydrophobicContact CZ-SD 3.78Å; V162-M166 WeakPolarHBondContact O-CG 3.45Å; V162-M166 PolarHBondContact O-N 3.03Å; Y163-M166 PolarHBondContact O-N 3.21Å; M166-I168 VanDerWaalsContact C-N 3.3Å; M166-I168 PolarHBondContact O-N 3.31Å; M166-V169 PolarHBondContact O-N 3.01Å; M166-T170 WeakPolarHBondContact O-CB 3.28Å; M166-T170 PolarHBondContact O-N 3.41Å; M166-T170 PolarHBondContact O-OG1 2.99Å |
| 167 | A | 90.1 | Very high | 85.5 | Confident | 58 Ų | 58 | 68.1 Ų | 68.1 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y163 F164 K165 A171 | Y163-A167 WeakPolarHBondContact O-CB 3.4Å; Y163-A167 PolarHBondContact O-N 2.83Å; F164-A167 PolarHBondContact O-N 3.46Å; K165-A167 VanDerWaalsContact C-N 3.31Å; K165-A167 PolarHBondContact O-N 3.37Å; A167-A171 WeakPolarHBondContact O-CB 3.24Å; A167-A171 PolarHBondContact O-N 2.82Å |
| 168 | I | 91.6 | Very high | 86.7 | Confident | 82 Ų | 82 | 70.1 Ų | 70.1 | 42% | 0.421 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.9 | -51 | 175.3 | -69.5 | 166.6 | 0 | 0 | 0 | 111.2 | F164 K165 M166 T170 A171 H172 | F164-I168 HydrophobicContact CD1-CD1 3.72Å; F164-I168 HydrophobicContact CE1-CD1 3.3Å; F164-I168 HydrophobicContact CE1-CG1 4.35Å; F164-I168 HydrophobicContact CE2-CD1 4.36Å; F164-I168 HydrophobicContact CG-CD1 4.43Å; F164-I168 HydrophobicContact CZ-CD1 3.66Å; F164-I168 HydrophobicContact CZ-CG1 4.35Å; F164-I168 WeakPolarHBondContact O-CG1 3.36Å; F164-I168 PolarHBondContact O-N 2.98Å; K165-I168 PolarHBondContact O-N 3.29Å; M166-I168 VanDerWaalsContact C-N 3.3Å; M166-I168 PolarHBondContact O-N 3.31Å; I168-T170 PolarHBondContact O-N 3.11Å; I168-A171 PolarHBondContact O-N 3.43Å; I168-H172 VanDerWaalsContact O-CB 3.26Å; I168-H172 WeakPolarHBondContact O-CB 3.29Å; I168-H172 PolarHBondContact O-N 3.1Å |
| 169 | V | 90.9 | Very high | 87.6 | Confident | 2 Ų | 2 | 69.8 Ų | 69.8 | 1% | 0.012 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.6 | -46.9 | -179.8 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | M131 D134 F135 I138 K165 M166 H172 A173 | M131-V169 HydrophobicContact CG-CG1 4.23Å; D134-V169 HydrophobicContact CB-CB 4.35Å; D134-V169 HydrophobicContact CB-CG1 3.79Å; D134-V169 HydrophobicContact CB-CG2 3.87Å; F135-V169 HydrophobicContact CD1-CG2 3.96Å; F135-V169 HydrophobicContact CE1-CB 4.1Å; F135-V169 HydrophobicContact CE1-CG1 4.07Å; F135-V169 HydrophobicContact CE1-CG2 3.7Å; F135-V169 HydrophobicContact CE2-CG1 4.29Å; F135-V169 HydrophobicContact CZ-CB 4.3Å; F135-V169 HydrophobicContact CZ-CG1 3.88Å; F135-V169 HydrophobicContact CZ-CG2 4.35Å; I138-V169 HydrophobicContact CD1-CG2 3.14Å; K165-V169 WeakPolarHBondContact O-CG2 3.43Å; K165-V169 PolarHBondContact O-N 3.28Å; M166-V169 PolarHBondContact O-N 3.01Å; V169-H172 PolarHBondContact O-N 3.37Å; V169-A173 WeakPolarHBondContact O-CB 3.35Å; V169-A173 PolarHBondContact O-N 2.94Å |
| 170 | T | 90.7 | Very high | 88.3 | Confident | 76 Ų | 76 | 64.2 Ų | 64.2 | 47% | 0.466 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | -179.7 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | M166 I168 S174 | M166-T170 WeakPolarHBondContact O-CB 3.28Å; M166-T170 PolarHBondContact O-N 3.41Å; M166-T170 PolarHBondContact O-OG1 2.99Å; I168-T170 PolarHBondContact O-N 3.11Å; T170-S174 WeakPolarHBondContact O-CB 3.47Å; T170-S174 PolarHBondContact O-N 2.98Å; T170-S174 PolarHBondContact O-OG 3.44Å |
| 171 | A | 92.4 | Very high | 88.7 | Confident | 42 Ų | 42 | 59.9 Ų | 59.9 | 35% | 0.347 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.5 | -50.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | A167 I168 S174 I175 | A167-A171 WeakPolarHBondContact O-CB 3.24Å; A167-A171 PolarHBondContact O-N 2.82Å; I168-A171 PolarHBondContact O-N 3.43Å; A171-S174 WeakPolarHBondContact CA-OG 3.5Å; A171-S174 PolarHBondContact O-N 2.99Å; A171-S174 PolarHBondContact O-OG 3.14Å; A171-I175 HydrophobicContact CB-CD1 4.47Å; A171-I175 WeakPolarHBondContact O-CB 3.16Å; A171-I175 WeakPolarHBondContact O-CD1 3.4Å; A171-I175 WeakPolarHBondContact O-CG1 3.36Å; A171-I175 PolarHBondContact O-N 2.88Å |
| 172 | H | 92.6 | Very high | 89 | Confident | 44 Ų | 44 | 63.6 Ų | 63.6 | 20% | 0.204 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -54.1 | -58.2 | 177.2 | 174.7 | -118.3 | 0 | 0 | 0 | 111.3 | D134 I168 V169 S174 I175 S176 E210 | D134-H172 IonicContact OD1-CE1 3.43Å; D134-H172 IonicContact OD1-ND1 2.82Å; D134-H172 PolarHBondContact OD1-ND1 2.99Å; D134-H172 IonicContact OD2-CE1 3.51Å; D134-H172 IonicContact OD2-CG 3.26Å; D134-H172 IonicContact OD2-ND1 3.5Å; D134-H172 PolarHBondContact OD2-ND1 3.29Å; I168-H172 VanDerWaalsContact O-CB 3.26Å; I168-H172 WeakPolarHBondContact O-CB 3.29Å; I168-H172 PolarHBondContact O-N 3.1Å; V169-H172 PolarHBondContact O-N 3.37Å; H172-S174 PolarHBondContact O-N 3.34Å; H172-I175 PolarHBondContact O-N 3.02Å; H172-S176 WeakPolarHBondContact O-CB 3.39Å; H172-S176 PolarHBondContact O-N 3.37Å; H172-S176 PolarHBondContact O-OG 3.12Å; H172-E210 IonicContact NE2-OE1 3.74Å; H172-E210 PolarHBondContact NE2-OE1 2.92Å |
| 173 | A | 90.8 | Very high | 89.1 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 5% | 0.05 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.5 | -48 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V169 I175 S176 Y177 | V169-A173 WeakPolarHBondContact O-CB 3.35Å; V169-A173 PolarHBondContact O-N 2.94Å; A173-I175 PolarHBondContact O-N 3.43Å; A173-S176 PolarHBondContact O-N 2.86Å; A173-Y177 WeakPolarHBondContact O-CD2 3.37Å; A173-Y177 PolarHBondContact O-N 3.45Å |
| 174 | S | 91.3 | Very high | 89 | Confident | 51 Ų | 51 | 58.2 Ų | 58.2 | 36% | 0.357 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | -179 | 65.6 | 0 | 0 | 0 | 0 | 112.6 | T170 A171 H172 I178 | T170-S174 WeakPolarHBondContact O-CB 3.47Å; T170-S174 PolarHBondContact O-N 2.98Å; T170-S174 PolarHBondContact O-OG 3.44Å; A171-S174 WeakPolarHBondContact CA-OG 3.5Å; A171-S174 PolarHBondContact O-N 2.99Å; A171-S174 PolarHBondContact O-OG 3.14Å; H172-S174 PolarHBondContact O-N 3.34Å; S174-I178 VanDerWaalsContact O-CB 3.23Å; S174-I178 WeakPolarHBondContact O-CB 3.24Å; S174-I178 VanDerWaalsContact O-CD1 3.28Å; S174-I178 WeakPolarHBondContact O-CD1 3.38Å; S174-I178 WeakPolarHBondContact O-CG1 3.4Å; S174-I178 PolarHBondContact O-N 3.04Å |
| 175 | I | 91.8 | Very high | 88.6 | Confident | 95 Ų | 95 | 53.4 Ų | 53.4 | 49% | 0.487 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.6 | -49.8 | -179.1 | -68.7 | 166.6 | 0 | 0 | 0 | 109.7 | A171 H172 A173 Y177 I178 I179 | A171-I175 HydrophobicContact CB-CD1 4.47Å; A171-I175 WeakPolarHBondContact O-CB 3.16Å; A171-I175 WeakPolarHBondContact O-CD1 3.4Å; A171-I175 WeakPolarHBondContact O-CG1 3.36Å; A171-I175 PolarHBondContact O-N 2.88Å; H172-I175 PolarHBondContact O-N 3.02Å; A173-I175 PolarHBondContact O-N 3.43Å; I175-Y177 PolarHBondContact O-N 2.88Å; I175-I178 PolarHBondContact O-N 3.22Å; I175-I179 HydrophobicContact CG2-CD1 3.71Å; I175-I179 HydrophobicContact CG2-CG1 4.38Å; I175-I179 VanDerWaalsContact O-CG1 3.26Å; I175-I179 WeakPolarHBondContact O-CG1 3.35Å; I175-I179 PolarHBondContact O-N 2.68Å |
| 176 | S | 88.8 | Confident | 88.3 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 14% | 0.14 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.1 | -46.1 | -177.4 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | H172 A173 E180 | H172-S176 WeakPolarHBondContact O-CB 3.39Å; H172-S176 PolarHBondContact O-N 3.37Å; H172-S176 PolarHBondContact O-OG 3.12Å; A173-S176 PolarHBondContact O-N 2.86Å; S176-E180 PolarHBondContact O-N 3.07Å; S176-E180 VanDerWaalsContact O-N 3.11Å |
| 177 | Y | 89.4 | Confident | 87.9 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 7% | 0.067 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -75.3 | -29.4 | 179.6 | -74.9 | -74.1 | 0 | 0 | 0 | 113.9 | F119 L123 S126 V127 T130 A173 I175 Y181 M207 | F119-Y177 AromaticContact CE2-CD1 3.9Å; F119-Y177 HydrophobicContact CE2-CD1 3.9Å; F119-Y177 HydrophobicContact CE2-CE1 4.44Å; F119-Y177 AromaticContact CZ-CD1 3.75Å; F119-Y177 HydrophobicContact CZ-CD1 3.75Å; L123-Y177 HydrophobicContact CD1-CD1 3.51Å; L123-Y177 HydrophobicContact CD1-CE1 4.17Å; L123-Y177 HydrophobicContact CD1-CG 3.88Å; S126-Y177 WeakPolarHBondContact CB-OH 3.49Å; S126-Y177 PolarHBondContact O-OH 3.43Å; V127-Y177 HydrophobicContact CB-CE2 4.35Å; V127-Y177 HydrophobicContact CG2-CD1 4.45Å; V127-Y177 HydrophobicContact CG2-CD2 3.63Å; V127-Y177 HydrophobicContact CG2-CE1 4.46Å; V127-Y177 HydrophobicContact CG2-CE2 3.69Å; V127-Y177 HydrophobicContact CG2-CG 4.08Å; V127-Y177 PolarHBondContact N-OH 3.37Å; T130-Y177 HydrophobicContact CG2-CE2 4.45Å; T130-Y177 WeakPolarHBondContact OG1-CE2 3.31Å; T130-Y177 PolarHBondContact OG1-OH 3.44Å; A173-Y177 WeakPolarHBondContact O-CD2 3.37Å; A173-Y177 PolarHBondContact O-N 3.45Å; I175-Y177 PolarHBondContact O-N 2.88Å; Y177-Y181 VanDerWaalsContact O-CB 3.31Å; Y177-Y181 WeakPolarHBondContact O-CB 3.35Å; Y177-Y181 PolarHBondContact O-N 3.07Å; Y177-M207 HydrophobicContact CE1-CE 4.37Å |
| 178 | I | 90.4 | Very high | 87.2 | Confident | 108 Ų | 108 | 60.5 Ų | 60.5 | 55% | 0.554 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -68.1 | -45.5 | 173.5 | -72.8 | 165.9 | 0 | 0 | 0 | 110.4 | S174 I175 E180 Y181 V182 | S174-I178 VanDerWaalsContact O-CB 3.23Å; S174-I178 WeakPolarHBondContact O-CB 3.24Å; S174-I178 VanDerWaalsContact O-CD1 3.28Å; S174-I178 WeakPolarHBondContact O-CD1 3.38Å; S174-I178 WeakPolarHBondContact O-CG1 3.4Å; S174-I178 PolarHBondContact O-N 3.04Å; I175-I178 PolarHBondContact O-N 3.22Å; I178-E180 VanDerWaalsContact C-N 3.27Å; I178-E180 PolarHBondContact O-N 2.58Å; I178-Y181 PolarHBondContact O-N 3.41Å; I178-V182 WeakPolarHBondContact O-CG2 3.41Å; I178-V182 PolarHBondContact O-N 3.45Å; I178-V182 VanDerWaalsContact O-N 3.1Å |
| 179 | I | 88.7 | Confident | 86.2 | Confident | 107 Ų | 107 | 56.7 Ų | 56.7 | 55% | 0.549 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.8 | -46.2 | 177.1 | -68.8 | 173.9 | 0 | 0 | 0 | 109.6 | I175 V182 S183 | I175-I179 HydrophobicContact CG2-CD1 3.71Å; I175-I179 HydrophobicContact CG2-CG1 4.38Å; I175-I179 VanDerWaalsContact O-CG1 3.26Å; I175-I179 WeakPolarHBondContact O-CG1 3.35Å; I175-I179 PolarHBondContact O-N 2.68Å; I179-V182 PolarHBondContact O-N 3.26Å; I179-S183 PolarHBondContact O-N 3.04Å; I179-S183 PolarHBondContact O-OG 3.11Å |
| 180 | E | 84.5 | Confident | 84.7 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.019 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.4 | -41.5 | -178.8 | -173.8 | 59.2 | -144.9 | 0 | 0 | 113.3 | F119 S176 I178 V182 S183 S184 S201 G203 M204 M207 | F119-E180 HydrophobicContact CD2-CG 4.02Å; F119-E180 HydrophobicContact CE2-CB 3.93Å; F119-E180 HydrophobicContact CE2-CG 3.5Å; F119-E180 HydrophobicContact CZ-CB 4.19Å; F119-E180 HydrophobicContact CZ-CG 4.21Å; S176-E180 PolarHBondContact O-N 3.07Å; S176-E180 VanDerWaalsContact O-N 3.11Å; I178-E180 VanDerWaalsContact C-N 3.27Å; I178-E180 PolarHBondContact O-N 2.58Å; E180-V182 PolarHBondContact O-N 3.18Å; E180-S183 VanDerWaalsContact CA-OG 3.31Å; E180-S183 WeakPolarHBondContact CA-OG 3.49Å; E180-S183 CarbonylContact O-C 3.57Å; E180-S183 PolarHBondContact O-N 3.46Å; E180-S183 VanDerWaalsContact O-N 3.11Å; E180-S183 PolarHBondContact O-OG 2.87Å; E180-S183 VanDerWaalsContact O-OG 3.04Å; E180-S184 WeakPolarHBondContact O-CB 3.45Å; E180-S184 PolarHBondContact O-N 2.86Å; E180-S201 WeakPolarHBondContact OE1-CB 3.3Å; E180-S201 PolarHBondContact OE1-OG 2.65Å; E180-G203 WeakPolarHBondContact OE2-CA 3.24Å; E180-M204 HydrophobicContact CG-CG 3.89Å; E180-M204 HydrophobicContact CG-SD 3.53Å; E180-M204 VanDerWaalsContact CG-SD 3.53Å; E180-M204 WeakPolarHBondContact OE1-CG 3.24Å; E180-M204 PolarHBondContact OE2-N 2.7Å; E180-M207 HydrophobicContact CB-CE 3.69Å; E180-M207 HydrophobicContact CG-CE 3.7Å |
| 181 | Y | 87 | Confident | 83.6 | Confident | 117 Ų | 117 | 59.5 Ų | 59.5 | 46% | 0.459 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.6 | -41.5 | 175.9 | -179.6 | -105.9 | 0 | 0 | 0 | 111.1 | F119 Y177 I178 S184 | F119-Y181 AromaticContact CD1-CD2 3.83Å; F119-Y181 HydrophobicContact CD1-CD2 3.83Å; F119-Y181 AromaticContact CE1-CD2 3.77Å; F119-Y181 HydrophobicContact CE1-CD2 3.77Å; F119-Y181 HydrophobicContact CE1-CG 4.23Å; Y177-Y181 VanDerWaalsContact O-CB 3.31Å; Y177-Y181 WeakPolarHBondContact O-CB 3.35Å; Y177-Y181 PolarHBondContact O-N 3.07Å; I178-Y181 PolarHBondContact O-N 3.41Å; Y181-S184 PolarHBondContact O-N 2.9Å; Y181-S184 PolarHBondContact O-OG 3.23Å |
| 182 | V | 87.3 | Confident | 82.6 | Confident | 114 Ų | 114 | 57.8 Ų | 57.8 | 69% | 0.691 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -69.8 | -32.7 | 177.5 | 175 | 0 | 0 | 0 | 0 | 112.1 | I178 I179 E180 | I178-V182 WeakPolarHBondContact O-CG2 3.41Å; I178-V182 PolarHBondContact O-N 3.45Å; I178-V182 VanDerWaalsContact O-N 3.1Å; I179-V182 PolarHBondContact O-N 3.26Å; E180-V182 PolarHBondContact O-N 3.18Å |
| 183 | S | 84.5 | Confident | 81.5 | Confident | 66 Ų | 66 | 56.7 Ų | 56.7 | 46% | 0.462 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -83.5 | -12.7 | 176.9 | 60.5 | 0 | 0 | 0 | 0 | 114.6 | I179 E180 | I179-S183 PolarHBondContact O-N 3.04Å; I179-S183 PolarHBondContact O-OG 3.11Å; E180-S183 VanDerWaalsContact CA-OG 3.31Å; E180-S183 WeakPolarHBondContact CA-OG 3.49Å; E180-S183 CarbonylContact O-C 3.57Å; E180-S183 PolarHBondContact O-N 3.46Å; E180-S183 VanDerWaalsContact O-N 3.11Å; E180-S183 PolarHBondContact O-OG 2.87Å; E180-S183 VanDerWaalsContact O-OG 3.04Å |
| 184 | S | 82.8 | Confident | 80.2 | Confident | 7 Ų | 7 | 59.7 Ų | 59.7 | 5% | 0.049 | 34% | 0.338 | C | S | . | . | trans | -65.2 | 137.9 | 179.8 | 67 | 0 | 0 | 0 | 0 | 111.7 | K116 E180 Y181 | K116-S184 WeakPolarHBondContact CE-O 3.48Å; K116-S184 WeakPolarHBondContact CG-OG 3.25Å; E180-S184 WeakPolarHBondContact O-CB 3.45Å; E180-S184 PolarHBondContact O-N 2.86Å; Y181-S184 PolarHBondContact O-N 2.9Å; Y181-S184 PolarHBondContact O-OG 3.23Å | ||
| 185 | S | 80.1 | Confident | 79.1 | Confident | 31 Ų | 31 | 59.3 Ų | 59.3 | 22% | 0.217 | 33% | 0.33 | C | S | . | . | trans | -88.7 | 162.6 | -179.2 | 78 | 0 | 0 | 0 | 0 | 111.8 | Q115 K116 D187 | Q115-S185 WeakPolarHBondContact CB-O 3.31Å; Q115-S185 PolarHBondContact OE1-OG 3.13Å; K116-S185 WeakPolarHBondContact CG-O 3.49Å; K116-S185 PolarHBondContact N-O 2.9Å; S185-D187 WeakPolarHBondContact OG-CB 3.33Å; S185-D187 PolarHBondContact OG-N 2.98Å; S185-D187 PolarHBondContact OG-OD2 3.12Å | ||
| 186 | D | 81 | Confident | 77.8 | Confident | 106 Ų | 106 | 55.5 Ų | 55.5 | 57% | 0.567 | 31% | 0.311 | S | S | * | . | trans | -88.6 | 14.7 | 168.2 | -64.5 | -47.5 | 0 | 0 | 0 | 111.9 | K116 | K116-D186 WeakPolarHBondContact CD-OD1 3.07Å; K116-D186 WeakPolarHBondContact CE-OD1 3.48Å; K116-D186 WeakPolarHBondContact CG-OD1 3.31Å; K116-D186 IonicContact NZ-OD1 2.78Å; K116-D186 PolarHBondContact NZ-OD1 3.5Å; K116-D186 IonicContact NZ-OD2 2.8Å; K116-D186 PolarHBondContact NZ-OD2 3.41Å | ||
| 187 | D | 79.5 | Confident | 76.8 | Confident | 105 Ų | 105 | 54.5 Ų | 54.5 | 56% | 0.561 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -67 | 143.5 | -179.6 | -65 | -26.2 | 0 | 0 | 0 | 110.7 | T114 Q115 S185 | T114-D187 WeakPolarHBondContact CA-O 3.4Å; Q115-D187 PolarHBondContact N-O 2.94Å; S185-D187 WeakPolarHBondContact OG-CB 3.33Å; S185-D187 PolarHBondContact OG-N 2.98Å; S185-D187 PolarHBondContact OG-OD2 3.12Å |
| 188 | A | 74.7 | Confident | 75.7 | Confident | 70 Ų | 70 | 54.9 Ų | 54.9 | 58% | 0.579 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 128.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L112 | L112-A188 HydrophobicContact CD2-CB 4.33Å |
| 189 | L | 70.6 | Confident | 74.7 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 137.8 | 170.7 | -74.6 | 159.6 | 0 | 0 | 0 | 110.2 | M113 Q115 C118 V197 M200 | M113-L189 WeakPolarHBondContact O-CB 3.46Å; M113-L189 PolarHBondContact O-N 3.45Å; Q115-L189 VanDerWaalsContact CA-CD1 3.43Å; Q115-L189 HydrophobicContact CB-CD1 3.92Å; Q115-L189 HydrophobicContact CB-CG 4.36Å; Q115-L189 HydrophobicContact CG-CD1 4.32Å; C118-L189 HydrophobicContact CB-CD1 3.67Å; L189-V197 HydrophobicContact CD1-CG2 4.48Å; L189-M200 HydrophobicContact CD2-CE 4.05Å; L189-M200 HydrophobicContact CD2-SD 3.27Å; L189-M200 WeakPolarHBondContact CD2-SD 3.44Å |
| 190 | F | 59.8 | Low | 73.7 | Confident | 62 Ų | 62 | 52.1 Ų | 52.1 | 27% | 0.272 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -68.8 | -38.8 | 172 | -179.6 | -103.3 | 0 | 0 | 0 | 112.1 | V26 V110 | V26-F190 HydrophobicContact CG1-CD2 4.02Å; V110-F190 HydrophobicContact CG1-CD2 3.99Å; V110-F190 HydrophobicContact CG1-CE2 3.95Å; V110-F190 HydrophobicContact CG1-CZ 4.43Å; V110-F190 WeakPolarHBondContact CG1-O 3.49Å; V110-F190 HydrophobicContact CG2-CE2 4.29Å; V110-F190 HydrophobicContact CG2-CZ 4.43Å |
| 191 | L | 68.3 | Low | 73.2 | Confident | 75 Ų | 75 | 52.3 Ų | 52.3 | 39% | 0.393 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -140.3 | 130 | 177.6 | -179.4 | 67.4 | 0 | 0 | 0 | 108.9 | S193 T196 | L191-S193 PolarHBondContact O-N 3.44Å; L191-T196 PolarHBondContact O-OG1 3.34Å |
| 192 | C | 70.1 | Confident | 72.8 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.034 | 31% | 0.31 | C | S | . | . | trans | -79 | 108.1 | 167.9 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | Y96 M113 C118 | Y96-C192 PolarHBondContact OH-O 2.64Å; M113-C192 HydrophobicContact CE-CB 3.28Å; M113-C192 WeakPolarHBondContact CE-SG 3.32Å; C118-C192 WeakPolarHBondContact CA-SG 3.35Å; C118-C192 HydrophobicContact CB-CB 3.8Å; C118-C192 WeakPolarHBondContact CB-SG 3.11Å; C118-C192 WeakPolarHBondContact SG-CA 3.41Å; C118-C192 WeakPolarHBondContact SG-CB 3.25Å; C118-C192 CovalentContact SG-SG 2.03Å; C118-C192 PolarHBondContact SG-SG 3.41Å | ||
| 193 | S | 69.4 | Low | 72.2 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 15% | 0.147 | 29% | 0.287 | C | S | . | . | trans | -141.5 | 151.1 | 171.4 | 73.2 | 0 | 0 | 0 | 0 | 109.6 | L191 F195 T196 V197 | L191-S193 PolarHBondContact O-N 3.44Å; S193-F195 PolarHBondContact O-N 3.33Å; S193-T196 PolarHBondContact N-OG1 2.71Å; S193-T196 PolarHBondContact O-N 3.37Å; S193-T196 VanDerWaalsContact O-N 3.1Å; S193-T196 PolarHBondContact O-OG1 2.92Å; S193-T196 VanDerWaalsContact OG-CG2 3.3Å; S193-T196 WeakPolarHBondContact OG-CG2 3.44Å; S193-T196 PolarHBondContact OG-N 3.23Å; S193-T196 VanDerWaalsContact OG-N 3.11Å; S193-T196 PolarHBondContact OG-OG1 2.88Å; S193-V197 WeakPolarHBondContact O-CG2 3.35Å; S193-V197 PolarHBondContact O-N 3.3Å | ||
| 194 | S | 65.3 | Low | 71.9 | Confident | 69 Ų | 69 | 45.4 Ų | 45.4 | 48% | 0.483 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -53.4 | -32.5 | 178.7 | -49.9 | 0 | 0 | 0 | 0 | 112.3 | V198 | S194-V198 WeakPolarHBondContact O-CB 3.28Å; S194-V198 WeakPolarHBondContact O-CG2 3.17Å; S194-V198 PolarHBondContact O-N 2.96Å |
| 195 | F | 66.5 | Low | 71.8 | Confident | 44 Ų | 44 | 49 Ų | 49 | 19% | 0.193 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -76.1 | -42.7 | 178 | -177 | -88.9 | 0 | 0 | 0 | 113.9 | S193 V197 V198 V199 T276 M280 | S193-F195 PolarHBondContact O-N 3.33Å; F195-V197 VanDerWaalsContact C-N 3.29Å; F195-V197 PolarHBondContact O-N 3.43Å; F195-V198 PolarHBondContact O-N 2.85Å; F195-V198 VanDerWaalsContact O-N 3.09Å; F195-V199 HydrophobicContact CD1-CG2 3.81Å; F195-V199 HydrophobicContact CD2-CG2 4.38Å; F195-V199 HydrophobicContact CE1-CB 4.37Å; F195-V199 HydrophobicContact CE1-CG2 3.35Å; F195-V199 HydrophobicContact CE2-CG2 4.01Å; F195-V199 HydrophobicContact CG-CG2 4.3Å; F195-V199 HydrophobicContact CZ-CG2 3.48Å; F195-V199 VanDerWaalsContact CZ-CG2 3.48Å; F195-V199 WeakPolarHBondContact O-CG2 3.23Å; F195-V199 PolarHBondContact O-N 3.42Å; F195-T276 HydrophobicContact CB-CG2 3.33Å; F195-T276 HydrophobicContact CD1-CG2 4.23Å; F195-T276 HydrophobicContact CD2-CG2 3.79Å; F195-T276 HydrophobicContact CG-CG2 3.53Å; F195-M280 HydrophobicContact CD1-CB 4.43Å; F195-M280 HydrophobicContact CD1-CE 4.04Å; F195-M280 HydrophobicContact CD1-CG 3.58Å; F195-M280 HydrophobicContact CD1-SD 4.15Å; F195-M280 HydrophobicContact CE1-CB 3.77Å; F195-M280 HydrophobicContact CE1-CE 3.93Å; F195-M280 HydrophobicContact CE1-CG 3.41Å; F195-M280 VanDerWaalsContact CE1-CG 3.41Å; F195-M280 HydrophobicContact CE1-SD 4.3Å; F195-M280 HydrophobicContact CZ-CB 4.32Å; F195-M280 HydrophobicContact CZ-CG 4.25Å |
| 196 | T | 65.8 | Low | 71.9 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 9% | 0.086 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 178.2 | 45.9 | 0 | 0 | 0 | 0 | 111.1 | L191 S193 V198 V199 M200 M280 | L191-T196 PolarHBondContact O-OG1 3.34Å; S193-T196 PolarHBondContact N-OG1 2.71Å; S193-T196 PolarHBondContact O-N 3.37Å; S193-T196 VanDerWaalsContact O-N 3.1Å; S193-T196 PolarHBondContact O-OG1 2.92Å; S193-T196 VanDerWaalsContact OG-CG2 3.3Å; S193-T196 WeakPolarHBondContact OG-CG2 3.44Å; S193-T196 PolarHBondContact OG-N 3.23Å; S193-T196 VanDerWaalsContact OG-N 3.11Å; S193-T196 PolarHBondContact OG-OG1 2.88Å; T196-V198 VanDerWaalsContact C-N 3.33Å; T196-V198 PolarHBondContact O-N 2.91Å; T196-V199 PolarHBondContact O-N 3.22Å; T196-M200 WeakPolarHBondContact O-CB 3.44Å; T196-M200 WeakPolarHBondContact O-CG 3.41Å; T196-M200 PolarHBondContact O-N 2.91Å; T196-M280 HydrophobicContact CG2-CE 4.18Å |
| 197 | V | 67.1 | Low | 71.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 174.3 | -167.7 | 0 | 0 | 0 | 0 | 110.9 | Q115 C118 L189 S193 F195 S201 M204 | Q115-V197 HydrophobicContact CG-CG1 4.47Å; C118-V197 HydrophobicContact CB-CG2 4.14Å; C118-V197 WeakPolarHBondContact SG-CG2 3.12Å; L189-V197 HydrophobicContact CD1-CG2 4.48Å; S193-V197 WeakPolarHBondContact O-CG2 3.35Å; S193-V197 PolarHBondContact O-N 3.3Å; F195-V197 VanDerWaalsContact C-N 3.29Å; F195-V197 PolarHBondContact O-N 3.43Å; V197-S201 WeakPolarHBondContact O-CB 3.3Å; V197-S201 PolarHBondContact O-N 3.32Å; V197-M204 HydrophobicContact CG1-CE 4.14Å; V197-M204 HydrophobicContact CG1-CG 3.75Å; V197-M204 HydrophobicContact CG1-SD 4.35Å |
| 198 | V | 67.1 | Low | 72.1 | Confident | 24 Ų | 24 | 42.5 Ų | 42.5 | 15% | 0.145 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 177.5 | 167.3 | 0 | 0 | 0 | 0 | 112.9 | S194 F195 T196 S201 M204 M205 Q208 | S194-V198 WeakPolarHBondContact O-CB 3.28Å; S194-V198 WeakPolarHBondContact O-CG2 3.17Å; S194-V198 PolarHBondContact O-N 2.96Å; F195-V198 PolarHBondContact O-N 2.85Å; F195-V198 VanDerWaalsContact O-N 3.09Å; T196-V198 VanDerWaalsContact C-N 3.33Å; T196-V198 PolarHBondContact O-N 2.91Å; V198-S201 VanDerWaalsContact O-O 3.08Å; V198-M204 HydrophobicContact CB-CB 4.41Å; V198-M204 HydrophobicContact CG2-CB 4.07Å; V198-M204 HydrophobicContact CG2-CE 4.18Å; V198-M205 WeakPolarHBondContact O-CB 3.47Å; V198-M205 PolarHBondContact O-N 3.45Å; V198-Q208 HydrophobicContact CG1-CB 3.96Å; V198-Q208 HydrophobicContact CG1-CG 4.2Å; V198-Q208 HydrophobicContact CG2-CB 4.33Å |
| 199 | V | 68.1 | Low | 72.7 | Confident | 53 Ų | 53 | 43.5 Ų | 43.5 | 32% | 0.321 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -77.1 | -34 | -177.6 | 172 | 0 | 0 | 0 | 0 | 112.1 | F17 F195 T196 | F17-V199 HydrophobicContact CD1-CG1 4.2Å; F17-V199 HydrophobicContact CE1-CG1 3.4Å; F17-V199 HydrophobicContact CZ-CG1 4.09Å; F195-V199 HydrophobicContact CD1-CG2 3.81Å; F195-V199 HydrophobicContact CD2-CG2 4.38Å; F195-V199 HydrophobicContact CE1-CB 4.37Å; F195-V199 HydrophobicContact CE1-CG2 3.35Å; F195-V199 HydrophobicContact CE2-CG2 4.01Å; F195-V199 HydrophobicContact CG-CG2 4.3Å; F195-V199 HydrophobicContact CZ-CG2 3.48Å; F195-V199 VanDerWaalsContact CZ-CG2 3.48Å; F195-V199 WeakPolarHBondContact O-CG2 3.23Å; F195-V199 PolarHBondContact O-N 3.42Å; T196-V199 PolarHBondContact O-N 3.22Å |
| 200 | M | 69.2 | Low | 73.5 | Confident | 104 Ų | 104 | 46.8 Ų | 46.8 | 51% | 0.512 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -84.1 | -28.4 | -178.1 | -67.4 | -174.2 | 61.6 | 0 | 0 | 113.3 | L189 T196 | L189-M200 HydrophobicContact CD2-CE 4.05Å; L189-M200 HydrophobicContact CD2-SD 3.27Å; L189-M200 WeakPolarHBondContact CD2-SD 3.44Å; T196-M200 WeakPolarHBondContact O-CB 3.44Å; T196-M200 WeakPolarHBondContact O-CG 3.41Å; T196-M200 PolarHBondContact O-N 2.91Å |
| 201 | S | 73.3 | Confident | 74.8 | Confident | 8 Ų | 8 | 44.5 Ų | 44.5 | 6% | 0.056 | 25% | 0.254 | C | S | . | . | trans | -98.3 | 121.3 | 174.9 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | E180 V197 V198 G203 M204 M205 | E180-S201 WeakPolarHBondContact OE1-CB 3.3Å; E180-S201 PolarHBondContact OE1-OG 2.65Å; V197-S201 WeakPolarHBondContact O-CB 3.3Å; V197-S201 PolarHBondContact O-N 3.32Å; V198-S201 VanDerWaalsContact O-O 3.08Å; S201-G203 PolarHBondContact O-N 2.92Å; S201-G203 PolarHBondContact OG-N 3.13Å; S201-M204 PolarHBondContact O-N 2.93Å; S201-M204 PolarHBondContact OG-N 2.86Å; S201-M205 PolarHBondContact O-N 2.93Å | ||
| 202 | T | 77.3 | Confident | 75.7 | Confident | 119 Ų | 119 | 43.7 Ų | 43.7 | 73% | 0.73 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -58.6 | -31.2 | 170.2 | 51.3 | 0 | 0 | 0 | 0 | 112.6 | A206 | T202-A206 PolarHBondContact O-N 3.01Å; T202-A206 VanDerWaalsContact O-N 3.12Å |
| 203 | G | 75.6 | Confident | 76.6 | Confident | 20 Ų | 20 | 47.5 Ų | 47.5 | 21% | 0.206 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73.8 | -44.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E180 S201 M205 A206 M207 | E180-G203 WeakPolarHBondContact OE2-CA 3.24Å; S201-G203 PolarHBondContact O-N 2.92Å; S201-G203 PolarHBondContact OG-N 3.13Å; G203-M205 VanDerWaalsContact C-N 3.32Å; G203-M205 PolarHBondContact O-N 2.94Å; G203-A206 WeakPolarHBondContact O-CB 3.19Å; G203-A206 PolarHBondContact O-N 3Å; G203-A206 VanDerWaalsContact O-N 3.13Å; G203-M207 PolarHBondContact O-N 3.15Å |
| 204 | M | 77.6 | Confident | 77.6 | Confident | 14 Ų | 14 | 48.7 Ų | 48.7 | 7% | 0.069 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.4 | -36.6 | 173.6 | -68.4 | -69.8 | -66.9 | 0 | 0 | 112.3 | F119 E180 V197 V198 S201 A206 M207 Q208 | F119-M204 HydrophobicContact CD2-SD 4.07Å; F119-M204 HydrophobicContact CE2-SD 4.05Å; E180-M204 HydrophobicContact CG-CG 3.89Å; E180-M204 HydrophobicContact CG-SD 3.53Å; E180-M204 VanDerWaalsContact CG-SD 3.53Å; E180-M204 WeakPolarHBondContact OE1-CG 3.24Å; E180-M204 PolarHBondContact OE2-N 2.7Å; V197-M204 HydrophobicContact CG1-CE 4.14Å; V197-M204 HydrophobicContact CG1-CG 3.75Å; V197-M204 HydrophobicContact CG1-SD 4.35Å; V198-M204 HydrophobicContact CB-CB 4.41Å; V198-M204 HydrophobicContact CG2-CB 4.07Å; V198-M204 HydrophobicContact CG2-CE 4.18Å; S201-M204 PolarHBondContact O-N 2.93Å; S201-M204 PolarHBondContact OG-N 2.86Å; M204-A206 VanDerWaalsContact C-N 3.32Å; M204-A206 PolarHBondContact O-N 3.01Å; M204-M207 HydrophobicContact CE-CE 4.46Å; M204-M207 HydrophobicContact CG-CE 4.48Å; M204-M207 PolarHBondContact O-N 2.7Å; M204-M207 HydrophobicContact SD-CE 3.32Å; M204-M207 WeakPolarHBondContact SD-CE 3.5Å; M204-Q208 WeakPolarHBondContact O-CB 3.35Å; M204-Q208 PolarHBondContact O-N 2.98Å |
| 205 | M | 80.7 | Confident | 78.8 | Confident | 81 Ų | 81 | 46.1 Ų | 46.1 | 40% | 0.399 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 172.3 | -168.2 | -174.6 | 70.8 | 0 | 0 | 111.2 | V198 S201 G203 Q208 I209 | V198-M205 WeakPolarHBondContact O-CB 3.47Å; V198-M205 PolarHBondContact O-N 3.45Å; S201-M205 PolarHBondContact O-N 2.93Å; G203-M205 VanDerWaalsContact C-N 3.32Å; G203-M205 PolarHBondContact O-N 2.94Å; M205-Q208 PolarHBondContact O-N 3.35Å; M205-I209 HydrophobicContact CE-CD1 4.42Å; M205-I209 HydrophobicContact CG-CD1 4.12Å; M205-I209 VanDerWaalsContact O-CG1 3.29Å; M205-I209 WeakPolarHBondContact O-CG1 3.31Å; M205-I209 PolarHBondContact O-N 2.91Å |
| 206 | A | 82.8 | Confident | 79.9 | Confident | 55 Ų | 55 | 47.9 Ų | 47.9 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | T202 G203 M204 Q208 I209 E210 | T202-A206 PolarHBondContact O-N 3.01Å; T202-A206 VanDerWaalsContact O-N 3.12Å; G203-A206 WeakPolarHBondContact O-CB 3.19Å; G203-A206 PolarHBondContact O-N 3Å; G203-A206 VanDerWaalsContact O-N 3.13Å; M204-A206 VanDerWaalsContact C-N 3.32Å; M204-A206 PolarHBondContact O-N 3.01Å; A206-Q208 PolarHBondContact O-N 2.82Å; A206-I209 PolarHBondContact O-N 3.46Å; A206-E210 WeakPolarHBondContact O-CB 3.44Å; A206-E210 PolarHBondContact O-N 3.4Å |
| 207 | M | 81.7 | Confident | 81 | Confident | 23 Ų | 23 | 50.9 Ų | 50.9 | 11% | 0.113 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.8 | -41 | 175.4 | -75.3 | -160.2 | -69.2 | 0 | 0 | 112.6 | Y177 E180 G203 M204 E210 E211 | Y177-M207 HydrophobicContact CE1-CE 4.37Å; E180-M207 HydrophobicContact CB-CE 3.69Å; E180-M207 HydrophobicContact CG-CE 3.7Å; G203-M207 PolarHBondContact O-N 3.15Å; M204-M207 HydrophobicContact CE-CE 4.46Å; M204-M207 HydrophobicContact CG-CE 4.48Å; M204-M207 PolarHBondContact O-N 2.7Å; M204-M207 HydrophobicContact SD-CE 3.32Å; M204-M207 WeakPolarHBondContact SD-CE 3.5Å; M207-E210 PolarHBondContact O-N 3.13Å; M207-E211 WeakPolarHBondContact O-CG 3.14Å; M207-E211 PolarHBondContact O-N 2.96Å |
| 208 | Q | 83.7 | Confident | 82.1 | Confident | 28 Ų | 28 | 51 Ų | 51 | 13% | 0.131 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 176.9 | 179.7 | 56.7 | 43.9 | 0 | 0 | 111.3 | V198 M204 M205 A206 E210 E211 D212 N273 | V198-Q208 HydrophobicContact CG1-CB 3.96Å; V198-Q208 HydrophobicContact CG1-CG 4.2Å; V198-Q208 HydrophobicContact CG2-CB 4.33Å; M204-Q208 WeakPolarHBondContact O-CB 3.35Å; M204-Q208 PolarHBondContact O-N 2.98Å; M205-Q208 PolarHBondContact O-N 3.35Å; A206-Q208 PolarHBondContact O-N 2.82Å; Q208-E210 VanDerWaalsContact C-N 3.35Å; Q208-E211 PolarHBondContact O-N 3.29Å; Q208-D212 PolarHBondContact NE2-OD1 3.26Å; Q208-D212 PolarHBondContact NE2-OD2 3.4Å; Q208-D212 WeakPolarHBondContact O-CB 3.43Å; Q208-D212 VanDerWaalsContact O-CG 3.24Å; Q208-D212 PolarHBondContact O-N 3.32Å; Q208-N273 PolarHBondContact NE2-ND2 3.44Å; Q208-N273 VanDerWaalsContact NE2-ND2 3.13Å |
| 209 | I | 86.2 | Confident | 83.1 | Confident | 92 Ų | 92 | 52.4 Ų | 52.4 | 47% | 0.472 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 175 | -68.1 | 166.1 | 0 | 0 | 0 | 110.6 | M205 A206 D212 V213 | M205-I209 HydrophobicContact CE-CD1 4.42Å; M205-I209 HydrophobicContact CG-CD1 4.12Å; M205-I209 VanDerWaalsContact O-CG1 3.29Å; M205-I209 WeakPolarHBondContact O-CG1 3.31Å; M205-I209 PolarHBondContact O-N 2.91Å; A206-I209 PolarHBondContact O-N 3.46Å; I209-D212 PolarHBondContact O-N 2.9Å; I209-V213 HydrophobicContact CG2-CG2 4.4Å; I209-V213 WeakPolarHBondContact O-CB 3.5Å; I209-V213 VanDerWaalsContact O-CG2 3.26Å; I209-V213 WeakPolarHBondContact O-CG2 3.28Å; I209-V213 PolarHBondContact O-N 3Å |
| 210 | E | 87.7 | Confident | 84.2 | Confident | 71 Ų | 71 | 54.6 Ų | 54.6 | 33% | 0.332 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.2 | -47.9 | 176.4 | 179.5 | 174.5 | -165.5 | 0 | 0 | 111.8 | H172 A206 M207 Q208 D212 V213 F214 | H172-E210 IonicContact NE2-OE1 3.74Å; H172-E210 PolarHBondContact NE2-OE1 2.92Å; A206-E210 WeakPolarHBondContact O-CB 3.44Å; A206-E210 PolarHBondContact O-N 3.4Å; M207-E210 PolarHBondContact O-N 3.13Å; Q208-E210 VanDerWaalsContact C-N 3.35Å; E210-D212 VanDerWaalsContact C-N 3.33Å; E210-D212 PolarHBondContact O-N 3.45Å; E210-V213 PolarHBondContact O-N 3.48Å; E210-F214 HydrophobicContact CG-CD2 4.29Å; E210-F214 HydrophobicContact CG-CE1 4.28Å; E210-F214 HydrophobicContact CG-CE2 3.78Å; E210-F214 HydrophobicContact CG-CZ 3.77Å; E210-F214 WeakPolarHBondContact O-CG 3.21Å; E210-F214 PolarHBondContact O-N 3.48Å; E210-F214 WeakPolarHBondContact OE1-CZ 3.45Å |
| 211 | E | 86.5 | Confident | 85.2 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 7% | 0.065 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 176.3 | -74.2 | -172.5 | 164.9 | 0 | 0 | 111.8 | K129 T130 M207 Q208 F214 I215 | K129-E211 WeakPolarHBondContact CE-OE2 3.37Å; K129-E211 IonicContact NZ-OE2 2.71Å; K129-E211 PolarHBondContact NZ-OE2 3.39Å; T130-E211 WeakPolarHBondContact CA-OE1 3.18Å; T130-E211 WeakPolarHBondContact CB-OE1 3.35Å; T130-E211 PolarHBondContact OG1-OE1 2.84Å; M207-E211 WeakPolarHBondContact O-CG 3.14Å; M207-E211 PolarHBondContact O-N 2.96Å; Q208-E211 PolarHBondContact O-N 3.29Å; E211-F214 PolarHBondContact O-N 2.92Å; E211-I215 WeakPolarHBondContact O-CB 3.44Å; E211-I215 VanDerWaalsContact O-CG1 3.27Å; E211-I215 WeakPolarHBondContact O-CG1 3.45Å; E211-I215 PolarHBondContact O-N 2.68Å |
| 212 | D | 87.8 | Confident | 85.9 | Confident | 59 Ų | 59 | 50.9 Ų | 50.9 | 32% | 0.316 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 178.5 | -70.4 | -24.2 | 0 | 0 | 0 | 111.5 | Q208 I209 E210 I215 V216 | Q208-D212 PolarHBondContact NE2-OD1 3.26Å; Q208-D212 PolarHBondContact NE2-OD2 3.4Å; Q208-D212 WeakPolarHBondContact O-CB 3.43Å; Q208-D212 VanDerWaalsContact O-CG 3.24Å; Q208-D212 PolarHBondContact O-N 3.32Å; I209-D212 PolarHBondContact O-N 2.9Å; E210-D212 VanDerWaalsContact C-N 3.33Å; E210-D212 PolarHBondContact O-N 3.45Å; D212-I215 PolarHBondContact O-N 3.44Å; D212-V216 WeakPolarHBondContact O-CG2 3.22Å; D212-V216 PolarHBondContact O-N 2.95Å |
| 213 | V | 89.7 | Confident | 86.5 | Confident | 85 Ų | 85 | 48.8 Ų | 48.8 | 52% | 0.515 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 173.5 | 169.2 | 0 | 0 | 0 | 0 | 111.2 | I209 E210 I215 V216 L217 | I209-V213 HydrophobicContact CG2-CG2 4.4Å; I209-V213 WeakPolarHBondContact O-CB 3.5Å; I209-V213 VanDerWaalsContact O-CG2 3.26Å; I209-V213 WeakPolarHBondContact O-CG2 3.28Å; I209-V213 PolarHBondContact O-N 3Å; E210-V213 PolarHBondContact O-N 3.48Å; V213-I215 VanDerWaalsContact C-N 3.34Å; V213-I215 PolarHBondContact O-N 2.83Å; V213-V216 PolarHBondContact O-N 3.39Å; V213-L217 WeakPolarHBondContact O-CB 3.45Å; V213-L217 PolarHBondContact O-N 2.98Å |
| 214 | F | 91.1 | Very high | 87.2 | Confident | 45 Ų | 45 | 51.8 Ų | 51.8 | 20% | 0.197 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 175.6 | -72.4 | -10.4 | 0 | 0 | 0 | 111.8 | V133 L137 E210 E211 V216 L217 I218 | V133-F214 HydrophobicContact CG1-CB 3.59Å; V133-F214 HydrophobicContact CG1-CD2 4.19Å; V133-F214 HydrophobicContact CG1-CG 4.42Å; L137-F214 HydrophobicContact CD2-CD1 4.33Å; L137-F214 HydrophobicContact CD2-CD2 4.49Å; L137-F214 HydrophobicContact CD2-CG 4.25Å; E210-F214 HydrophobicContact CG-CD2 4.29Å; E210-F214 HydrophobicContact CG-CE1 4.28Å; E210-F214 HydrophobicContact CG-CE2 3.78Å; E210-F214 HydrophobicContact CG-CZ 3.77Å; E210-F214 WeakPolarHBondContact O-CG 3.21Å; E210-F214 PolarHBondContact O-N 3.48Å; E210-F214 WeakPolarHBondContact OE1-CZ 3.45Å; E211-F214 PolarHBondContact O-N 2.92Å; F214-V216 PolarHBondContact O-N 3.48Å; F214-L217 WeakPolarHBondContact O-CB 3.39Å; F214-L217 PolarHBondContact O-N 2.9Å; F214-I218 WeakPolarHBondContact O-CB 3.43Å; F214-I218 WeakPolarHBondContact O-CD1 3.23Å; F214-I218 WeakPolarHBondContact O-CG1 3.22Å; F214-I218 PolarHBondContact O-N 3.25Å |
| 215 | I | 88.7 | Confident | 87.7 | Confident | 15 Ų | 15 | 51.2 Ų | 51.2 | 8% | 0.077 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.2 | -49.3 | 175.2 | -76.7 | 168 | 0 | 0 | 0 | 111.3 | V133 E211 D212 V213 L217 I218 L219 F265 T266 | V133-I215 HydrophobicContact CG1-CG1 4.38Å; V133-I215 HydrophobicContact CG2-CD1 4.25Å; V133-I215 HydrophobicContact CG2-CG1 4.14Å; E211-I215 WeakPolarHBondContact O-CB 3.44Å; E211-I215 VanDerWaalsContact O-CG1 3.27Å; E211-I215 WeakPolarHBondContact O-CG1 3.45Å; E211-I215 PolarHBondContact O-N 2.68Å; D212-I215 PolarHBondContact O-N 3.44Å; V213-I215 VanDerWaalsContact C-N 3.34Å; V213-I215 PolarHBondContact O-N 2.83Å; I215-L217 VanDerWaalsContact C-N 3.33Å; I215-L217 PolarHBondContact O-N 3.29Å; I215-I218 PolarHBondContact O-N 2.95Å; I215-L219 PolarHBondContact O-N 3.05Å; I215-L219 VanDerWaalsContact O-N 3.07Å; I215-F265 HydrophobicContact CD1-CE1 4.11Å; I215-F265 HydrophobicContact CG1-CE1 4.42Å; I215-T266 HydrophobicContact CG2-CG2 3.25Å |
| 216 | V | 89.7 | Confident | 88 | Confident | 82 Ų | 82 | 48.6 Ų | 48.6 | 50% | 0.497 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 177.6 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | D212 V213 F214 I218 L219 I220 | D212-V216 WeakPolarHBondContact O-CG2 3.22Å; D212-V216 PolarHBondContact O-N 2.95Å; V213-V216 PolarHBondContact O-N 3.39Å; F214-V216 PolarHBondContact O-N 3.48Å; V216-I218 VanDerWaalsContact C-N 3.34Å; V216-I218 PolarHBondContact O-N 3.31Å; V216-L219 PolarHBondContact O-N 3.06Å; V216-I220 HydrophobicContact CG1-CD1 3.87Å; V216-I220 WeakPolarHBondContact O-CG1 3.32Å; V216-I220 PolarHBondContact O-N 3.16Å |
| 217 | L | 90.6 | Very high | 88.3 | Confident | 77 Ų | 77 | 51.1 Ų | 51.1 | 40% | 0.403 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 177.7 | -177.4 | 65.1 | 0 | 0 | 0 | 111.8 | L137 V213 F214 I215 L219 I220 I221 | L137-L217 HydrophobicContact CD1-CD2 4.01Å; L137-L217 HydrophobicContact CD1-CG 4.39Å; V213-L217 WeakPolarHBondContact O-CB 3.45Å; V213-L217 PolarHBondContact O-N 2.98Å; F214-L217 WeakPolarHBondContact O-CB 3.39Å; F214-L217 PolarHBondContact O-N 2.9Å; I215-L217 VanDerWaalsContact C-N 3.33Å; I215-L217 PolarHBondContact O-N 3.29Å; L217-L219 PolarHBondContact O-N 3.18Å; L217-I220 PolarHBondContact O-N 3.11Å; L217-I221 HydrophobicContact CD1-CD1 4.23Å; L217-I221 HydrophobicContact CD1-CG1 4.47Å; L217-I221 HydrophobicContact CG-CD1 3.91Å; L217-I221 VanDerWaalsContact O-CG1 3.27Å; L217-I221 WeakPolarHBondContact O-CG1 3.35Å; L217-I221 PolarHBondContact O-N 2.84Å |
| 218 | I | 90 | Very high | 88.5 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.2 | -47 | 177.6 | -67.2 | 159.5 | 0 | 0 | 0 | 110.8 | V133 L137 F214 I215 V216 I220 I221 Y222 I262 | V133-I218 HydrophobicContact CG1-CD1 4.13Å; L137-I218 HydrophobicContact CB-CD1 3.95Å; L137-I218 HydrophobicContact CB-CG1 3.84Å; L137-I218 HydrophobicContact CD1-CG1 3.85Å; L137-I218 HydrophobicContact CG-CG1 4.44Å; F214-I218 WeakPolarHBondContact O-CB 3.43Å; F214-I218 WeakPolarHBondContact O-CD1 3.23Å; F214-I218 WeakPolarHBondContact O-CG1 3.22Å; F214-I218 PolarHBondContact O-N 3.25Å; I215-I218 PolarHBondContact O-N 2.95Å; V216-I218 VanDerWaalsContact C-N 3.34Å; V216-I218 PolarHBondContact O-N 3.31Å; I218-I220 VanDerWaalsContact C-N 3.35Å; I218-I220 PolarHBondContact O-N 2.94Å; I218-I221 PolarHBondContact O-N 2.86Å; I218-Y222 HydrophobicContact CG2-CD2 3.97Å; I218-Y222 HydrophobicContact CG2-CE2 4Å; I218-Y222 WeakPolarHBondContact O-CB 3.27Å; I218-Y222 PolarHBondContact O-N 3.24Å; I218-I262 HydrophobicContact CG2-CD1 3.36Å; I218-I262 HydrophobicContact CG2-CG2 3.97Å |
| 219 | L | 88.4 | Confident | 88.5 | Confident | 53 Ų | 53 | 54 Ų | 54 | 28% | 0.277 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.5 | -45.8 | 178.1 | -73.3 | 177.2 | 0 | 0 | 0 | 111.3 | I215 V216 L217 Y222 V223 I262 T266 | I215-L219 PolarHBondContact O-N 3.05Å; I215-L219 VanDerWaalsContact O-N 3.07Å; V216-L219 PolarHBondContact O-N 3.06Å; L217-L219 PolarHBondContact O-N 3.18Å; L219-Y222 PolarHBondContact O-N 3.09Å; L219-V223 WeakPolarHBondContact O-CG2 3.34Å; L219-V223 PolarHBondContact O-N 2.85Å; L219-I262 HydrophobicContact CD2-CG2 3.87Å; L219-I262 HydrophobicContact CG-CG2 4.5Å; L219-T266 HydrophobicContact CD1-CG2 3.91Å; L219-T266 HydrophobicContact CD2-CG2 4.09Å; L219-T266 HydrophobicContact CG-CG2 4.02Å |
| 220 | I | 90.9 | Very high | 88.5 | Confident | 98 Ų | 98 | 53.7 Ų | 53.7 | 50% | 0.503 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.7 | -49.8 | 177.5 | -68 | 167.9 | 0 | 0 | 0 | 110.5 | V216 L217 I218 Y222 V223 V224 | V216-I220 HydrophobicContact CG1-CD1 3.87Å; V216-I220 WeakPolarHBondContact O-CG1 3.32Å; V216-I220 PolarHBondContact O-N 3.16Å; L217-I220 PolarHBondContact O-N 3.11Å; I218-I220 VanDerWaalsContact C-N 3.35Å; I218-I220 PolarHBondContact O-N 2.94Å; I220-Y222 VanDerWaalsContact C-N 3.28Å; I220-Y222 PolarHBondContact O-N 3.47Å; I220-V223 PolarHBondContact O-N 2.91Å; I220-V224 WeakPolarHBondContact O-CG2 3.43Å; I220-V224 PolarHBondContact O-N 2.87Å |
| 221 | I | 90.4 | Very high | 88.4 | Confident | 33 Ų | 33 | 56.5 Ų | 56.5 | 17% | 0.169 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.9 | -44.8 | 179.3 | -68.9 | 167.9 | 0 | 0 | 0 | 110.3 | L137 A140 C144 L217 I218 V224 L225 | L137-I221 HydrophobicContact CD1-CD1 4.17Å; A140-I221 HydrophobicContact CB-CB 4.31Å; A140-I221 HydrophobicContact CB-CG2 3.77Å; C144-I221 WeakPolarHBondContact SG-CG2 3.31Å; L217-I221 HydrophobicContact CD1-CD1 4.23Å; L217-I221 HydrophobicContact CD1-CG1 4.47Å; L217-I221 HydrophobicContact CG-CD1 3.91Å; L217-I221 VanDerWaalsContact O-CG1 3.27Å; L217-I221 WeakPolarHBondContact O-CG1 3.35Å; L217-I221 PolarHBondContact O-N 2.84Å; I218-I221 PolarHBondContact O-N 2.86Å; I221-V224 PolarHBondContact O-N 3.02Å; I221-L225 HydrophobicContact CG2-CD1 4.06Å; I221-L225 HydrophobicContact CG2-CG 4.28Å; I221-L225 WeakPolarHBondContact O-CB 3.36Å; I221-L225 VanDerWaalsContact O-CG 3.28Å; I221-L225 WeakPolarHBondContact O-CG 3.45Å; I221-L225 PolarHBondContact O-N 3.39Å |
| 222 | Y | 87.6 | Confident | 88.2 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.6 | -40.2 | -179.8 | -86.4 | -17 | 0 | 0 | 0 | 114.2 | A140 I218 L219 I220 L225 L226 L255 L258 V259 I262 | A140-Y222 HydrophobicContact CB-CD1 4.04Å; A140-Y222 HydrophobicContact CB-CE1 3.62Å; I218-Y222 HydrophobicContact CG2-CD2 3.97Å; I218-Y222 HydrophobicContact CG2-CE2 4Å; I218-Y222 WeakPolarHBondContact O-CB 3.27Å; I218-Y222 PolarHBondContact O-N 3.24Å; L219-Y222 PolarHBondContact O-N 3.09Å; I220-Y222 VanDerWaalsContact C-N 3.28Å; I220-Y222 PolarHBondContact O-N 3.47Å; Y222-L225 HydrophobicContact CD1-CD1 4.27Å; Y222-L225 PolarHBondContact O-N 3.25Å; Y222-L226 WeakPolarHBondContact O-CB 3.34Å; Y222-L226 WeakPolarHBondContact O-CG 2.97Å; Y222-L226 PolarHBondContact O-N 2.84Å; Y222-L255 HydrophobicContact CD1-CD1 4.01Å; Y222-L255 HydrophobicContact CE1-CD1 4.19Å; Y222-L258 HydrophobicContact CE1-CB 4.43Å; Y222-L258 HydrophobicContact CE2-CB 4.03Å; Y222-V259 HydrophobicContact CD1-CG2 4.36Å; Y222-V259 HydrophobicContact CD2-CB 4.48Å; Y222-V259 HydrophobicContact CD2-CG2 3.99Å; Y222-V259 HydrophobicContact CG-CG2 3.78Å; Y222-I262 HydrophobicContact CD2-CB 4.32Å; Y222-I262 HydrophobicContact CD2-CD1 4Å; Y222-I262 HydrophobicContact CD2-CG1 4.39Å; Y222-I262 HydrophobicContact CE2-CB 4.16Å; Y222-I262 HydrophobicContact CE2-CD1 3.23Å; Y222-I262 HydrophobicContact CE2-CG1 3.74Å |
| 223 | V | 88.7 | Confident | 87.8 | Confident | 76 Ų | 76 | 57.9 Ų | 57.9 | 46% | 0.461 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 174.2 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | L219 I220 L225 L226 I227 | L219-V223 WeakPolarHBondContact O-CG2 3.34Å; L219-V223 PolarHBondContact O-N 2.85Å; I220-V223 PolarHBondContact O-N 2.91Å; V223-L225 PolarHBondContact O-N 3.47Å; V223-L226 PolarHBondContact O-N 2.92Å; V223-I227 HydrophobicContact CG1-CD1 3.93Å; V223-I227 WeakPolarHBondContact O-CG1 3.49Å; V223-I227 PolarHBondContact O-N 3.4Å; V223-I227 VanDerWaalsContact O-N 3.08Å |
| 224 | V | 90.6 | Very high | 87.6 | Confident | 82 Ų | 82 | 58.7 Ų | 58.7 | 50% | 0.497 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 176.7 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | I220 I221 L226 W228 | I220-V224 WeakPolarHBondContact O-CG2 3.43Å; I220-V224 PolarHBondContact O-N 2.87Å; I221-V224 PolarHBondContact O-N 3.02Å; V224-L226 PolarHBondContact O-N 3.33Å; V224-W228 WeakPolarHBondContact O-CB 3.28Å; V224-W228 PolarHBondContact O-N 2.91Å |
| 225 | L | 87.7 | Confident | 87.1 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 177.5 | -76.8 | -176.6 | 0 | 0 | 0 | 112.7 | R143 C144 I147 I221 Y222 V223 W228 V229 L255 | R143-L225 HydrophobicContact CB-CD1 3.72Å; C144-L225 HydrophobicContact CB-CD2 4.41Å; I147-L225 HydrophobicContact CD1-CD2 3.77Å; I221-L225 HydrophobicContact CG2-CD1 4.06Å; I221-L225 HydrophobicContact CG2-CG 4.28Å; I221-L225 WeakPolarHBondContact O-CB 3.36Å; I221-L225 VanDerWaalsContact O-CG 3.28Å; I221-L225 WeakPolarHBondContact O-CG 3.45Å; I221-L225 PolarHBondContact O-N 3.39Å; Y222-L225 HydrophobicContact CD1-CD1 4.27Å; Y222-L225 PolarHBondContact O-N 3.25Å; V223-L225 PolarHBondContact O-N 3.47Å; L225-W228 PolarHBondContact O-N 2.95Å; L225-V229 VanDerWaalsContact O-CB 3.28Å; L225-V229 WeakPolarHBondContact O-CB 3.32Å; L225-V229 VanDerWaalsContact O-CG2 3.23Å; L225-V229 WeakPolarHBondContact O-CG2 3.37Å; L225-V229 PolarHBondContact O-N 2.89Å; L225-L255 HydrophobicContact CB-CD1 4.21Å; L225-L255 HydrophobicContact CB-CD2 3.9Å; L225-L255 HydrophobicContact CD1-CD1 4.18Å |
| 226 | L | 87 | Confident | 86.5 | Confident | 27 Ų | 27 | 61.7 Ų | 61.7 | 14% | 0.141 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.3 | -53.5 | 177.9 | -81.1 | 176.4 | 0 | 0 | 0 | 111 | Y222 V223 V224 W228 V229 E230 L255 V259 | Y222-L226 WeakPolarHBondContact O-CB 3.34Å; Y222-L226 WeakPolarHBondContact O-CG 2.97Å; Y222-L226 PolarHBondContact O-N 2.84Å; V223-L226 PolarHBondContact O-N 2.92Å; V224-L226 PolarHBondContact O-N 3.33Å; L226-W228 PolarHBondContact O-N 2.73Å; L226-V229 PolarHBondContact O-N 3.41Å; L226-E230 WeakPolarHBondContact O-CB 3.42Å; L226-E230 WeakPolarHBondContact O-CG 3.48Å; L226-E230 PolarHBondContact O-N 3.42Å; L226-L255 HydrophobicContact CD2-CB 4.48Å; L226-L255 HydrophobicContact CD2-CD2 3.9Å; L226-L255 HydrophobicContact CD2-CG 3.84Å; L226-L255 HydrophobicContact CG-CD2 4.29Å; L226-L255 HydrophobicContact CG-CG 4.34Å; L226-V259 HydrophobicContact CD1-CB 3.85Å; L226-V259 HydrophobicContact CD1-CG1 3.7Å; L226-V259 HydrophobicContact CD1-CG2 3.43Å; L226-V259 VanDerWaalsContact CD1-CG2 3.43Å; L226-V259 HydrophobicContact CD2-CG2 4.05Å; L226-V259 HydrophobicContact CG-CG2 3.64Å |
| 227 | I | 89.1 | Confident | 85.9 | Confident | 108 Ų | 108 | 65.1 Ų | 65.1 | 55% | 0.554 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -55.7 | -43.3 | 179 | -65.8 | 167.3 | 0 | 0 | 0 | 110.3 | V223 K231 | V223-I227 HydrophobicContact CG1-CD1 3.93Å; V223-I227 WeakPolarHBondContact O-CG1 3.49Å; V223-I227 PolarHBondContact O-N 3.4Å; V223-I227 VanDerWaalsContact O-N 3.08Å; I227-K231 WeakPolarHBondContact O-CB 3.33Å; I227-K231 PolarHBondContact O-N 3.26Å; I227-K231 VanDerWaalsContact O-N 3.09Å |
| 228 | W | 86.4 | Confident | 85.2 | Confident | 102 Ų | 102 | 69.2 Ų | 69.2 | 39% | 0.386 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.8 | -45.6 | -177.9 | -152.8 | 82 | 0 | 0 | 0 | 112.6 | I147 F148 V224 L225 L226 K231 E232 | I147-W228 HydrophobicContact CG2-CE3 3.33Å; I147-W228 HydrophobicContact CG2-CH2 4.14Å; I147-W228 HydrophobicContact CG2-CZ3 3.11Å; F148-W228 HydrophobicContact CD1-CH2 4.12Å; F148-W228 HydrophobicContact CD1-CZ2 4.14Å; F148-W228 HydrophobicContact CE1-CD2 4.33Å; F148-W228 AromaticContact CE1-CE2 3.86Å; F148-W228 HydrophobicContact CE1-CH2 4.03Å; F148-W228 AromaticContact CE1-CZ2 3.69Å; F148-W228 HydrophobicContact CE1-CZ2 3.69Å; V224-W228 WeakPolarHBondContact O-CB 3.28Å; V224-W228 PolarHBondContact O-N 2.91Å; L225-W228 PolarHBondContact O-N 2.95Å; L226-W228 PolarHBondContact O-N 2.73Å; W228-K231 PolarHBondContact O-N 2.93Å; W228-E232 WeakPolarHBondContact O-CB 3.1Å; W228-E232 PolarHBondContact O-N 3.01Å |
| 229 | V | 83.5 | Confident | 84.4 | Confident | 8 Ų | 8 | 74.5 Ų | 74.5 | 5% | 0.048 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.3 | -37.2 | 179.9 | 167.5 | 0 | 0 | 0 | 0 | 111.7 | I147 L225 L226 E232 L233 V252 L255 | I147-V229 HydrophobicContact CD1-CG2 3.54Å; I147-V229 HydrophobicContact CG1-CG2 4.37Å; L225-V229 VanDerWaalsContact O-CB 3.28Å; L225-V229 WeakPolarHBondContact O-CB 3.32Å; L225-V229 VanDerWaalsContact O-CG2 3.23Å; L225-V229 WeakPolarHBondContact O-CG2 3.37Å; L225-V229 PolarHBondContact O-N 2.89Å; L226-V229 PolarHBondContact O-N 3.41Å; V229-E232 PolarHBondContact O-N 3.17Å; V229-L233 WeakPolarHBondContact O-CB 3.45Å; V229-L233 PolarHBondContact O-N 3.38Å; V229-V252 HydrophobicContact CG1-CB 4.14Å; V229-V252 HydrophobicContact CG1-CG1 4.46Å; V229-V252 HydrophobicContact CG1-CG2 3.31Å; V229-L255 HydrophobicContact CB-CD2 4.06Å; V229-L255 HydrophobicContact CG1-CD2 4.44Å; V229-L255 HydrophobicContact CG2-CD2 3.85Å |
| 230 | E | 85.8 | Confident | 83.5 | Confident | 86 Ų | 86 | 76.5 Ų | 76.5 | 40% | 0.402 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 173.7 | -75.3 | -179.1 | 176.4 | 0 | 0 | 111.9 | L226 E232 L233 N234 H256 | L226-E230 WeakPolarHBondContact O-CB 3.42Å; L226-E230 WeakPolarHBondContact O-CG 3.48Å; L226-E230 PolarHBondContact O-N 3.42Å; E230-E232 VanDerWaalsContact C-N 3.27Å; E230-E232 PolarHBondContact O-N 3.22Å; E230-L233 PolarHBondContact O-N 3.35Å; E230-N234 WeakPolarHBondContact O-CB 3.46Å; E230-N234 PolarHBondContact O-N 3.3Å; E230-N234 PolarHBondContact O-ND2 3.28Å; E230-H256 IonicContact OE1-CE1 2.96Å; E230-H256 IonicContact OE1-NE2 3.82Å |
| 231 | K | 86.4 | Confident | 82.9 | Confident | 131 Ų | 131 | 77.3 Ų | 77.3 | 57% | 0.57 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -58.3 | -43.1 | 175.3 | -175.6 | 176.7 | -177.8 | 175.2 | 0 | 111.3 | I227 W228 N234 K235 | I227-K231 WeakPolarHBondContact O-CB 3.33Å; I227-K231 PolarHBondContact O-N 3.26Å; I227-K231 VanDerWaalsContact O-N 3.09Å; W228-K231 PolarHBondContact O-N 2.93Å; K231-N234 PolarHBondContact O-N 2.93Å; K231-K235 WeakPolarHBondContact O-CG 3.46Å; K231-K235 PolarHBondContact O-N 2.93Å |
| 232 | E | 82.1 | Confident | 82.4 | Confident | 68 Ų | 68 | 82.5 Ų | 82.5 | 32% | 0.318 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -73.7 | -33.8 | -178.9 | -164.6 | 68.9 | -171.4 | 0 | 0 | 111.9 | W228 V229 E230 K235 A236 M248 | W228-E232 WeakPolarHBondContact O-CB 3.1Å; W228-E232 PolarHBondContact O-N 3.01Å; V229-E232 PolarHBondContact O-N 3.17Å; E230-E232 VanDerWaalsContact C-N 3.27Å; E230-E232 PolarHBondContact O-N 3.22Å; E232-K235 PolarHBondContact O-N 3.39Å; E232-K235 WeakPolarHBondContact OE2-CD 3.46Å; E232-K235 IonicContact OE2-NZ 3.58Å; E232-K235 PolarHBondContact OE2-NZ 3.11Å; E232-A236 WeakPolarHBondContact O-CB 3.42Å; E232-A236 PolarHBondContact O-N 3.44Å; E232-M248 VanDerWaalsContact C-CE 3.45Å; E232-M248 HydrophobicContact CB-CE 3.43Å; E232-M248 VanDerWaalsContact CB-CE 3.43Å; E232-M248 HydrophobicContact CG-CE 3.49Å; E232-M248 VanDerWaalsContact CG-CE 3.49Å; E232-M248 HydrophobicContact CG-SD 4.44Å |
| 233 | L | 80.6 | Confident | 82 | Confident | 34 Ų | 34 | 87.8 Ų | 87.8 | 18% | 0.178 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 171.9 | -176.6 | 72.9 | 0 | 0 | 0 | 111.1 | V229 E230 K235 A236 K237 M248 V252 | V229-L233 WeakPolarHBondContact O-CB 3.45Å; V229-L233 PolarHBondContact O-N 3.38Å; E230-L233 PolarHBondContact O-N 3.35Å; L233-K235 VanDerWaalsContact C-N 3.3Å; L233-K235 PolarHBondContact O-N 3.44Å; L233-A236 PolarHBondContact O-N 3.46Å; L233-K237 PolarHBondContact O-N 3.35Å; L233-M248 HydrophobicContact CB-CE 4.32Å; L233-M248 HydrophobicContact CD1-CB 4.18Å; L233-M248 HydrophobicContact CD1-CG 3.89Å; L233-M248 VanDerWaalsContact N-CE 3.35Å; L233-V252 HydrophobicContact CB-CG2 4.37Å; L233-V252 HydrophobicContact CD1-CG2 4.24Å; L233-V252 HydrophobicContact CD2-CG1 4.49Å; L233-V252 HydrophobicContact CD2-CG2 3.97Å; L233-V252 HydrophobicContact CG-CG2 4.43Å |
| 234 | N | 83.5 | Confident | 81.4 | Confident | 101 Ų | 101 | 86.6 Ų | 86.6 | 54% | 0.54 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.4 | -35.6 | 177.1 | -76.2 | -22.1 | 0 | 0 | 0 | 112.2 | E230 K231 H238 | E230-N234 WeakPolarHBondContact O-CB 3.46Å; E230-N234 PolarHBondContact O-N 3.3Å; E230-N234 PolarHBondContact O-ND2 3.28Å; K231-N234 PolarHBondContact O-N 2.93Å; N234-H238 PolarHBondContact O-CE1 3.13Å; N234-H238 PolarHBondContact O-ND1 3.47Å |
| 235 | K | 80.6 | Confident | 80.9 | Confident | 103 Ų | 103 | 85.4 Ų | 85.4 | 45% | 0.448 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.3 | -49.2 | 171 | -67.2 | 175.3 | -167.8 | 163.8 | 0 | 111.3 | K231 E232 L233 K237 H238 | K231-K235 WeakPolarHBondContact O-CG 3.46Å; K231-K235 PolarHBondContact O-N 2.93Å; E232-K235 PolarHBondContact O-N 3.39Å; E232-K235 WeakPolarHBondContact OE2-CD 3.46Å; E232-K235 IonicContact OE2-NZ 3.58Å; E232-K235 PolarHBondContact OE2-NZ 3.11Å; L233-K235 VanDerWaalsContact C-N 3.3Å; L233-K235 PolarHBondContact O-N 3.44Å; K235-K237 PolarHBondContact O-N 2.92Å; K235-H238 WeakPolarHBondContact O-CB 3.24Å; K235-H238 PolarHBondContact O-N 2.84Å |
| 236 | A | 77.6 | Confident | 80.5 | Confident | 20 Ų | 20 | 88 Ų | 88 | 17% | 0.165 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62.1 | -25.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | E232 L233 H238 D239 M248 | E232-A236 WeakPolarHBondContact O-CB 3.42Å; E232-A236 PolarHBondContact O-N 3.44Å; L233-A236 PolarHBondContact O-N 3.46Å; A236-H238 PolarHBondContact O-N 3.3Å; A236-D239 PolarHBondContact O-N 3.2Å; A236-D239 VanDerWaalsContact O-N 3.16Å; A236-M248 HydrophobicContact CB-SD 4.16Å |
| 237 | K | 77.1 | Confident | 80.1 | Confident | 155 Ų | 155 | 94.8 Ų | 94.8 | 67% | 0.674 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -26.4 | 172 | -174.3 | 179.8 | 175.8 | -174 | 0 | 112.8 | L233 K235 | L233-K237 PolarHBondContact O-N 3.35Å; K235-K237 PolarHBondContact O-N 2.92Å |
| 238 | H | 75.9 | Confident | 79.5 | Confident | 163 Ų | 163 | 91.5 Ų | 91.5 | 76% | 0.755 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -20.4 | 177.2 | -65.2 | 79.7 | 0 | 0 | 0 | 112.4 | N234 K235 A236 | N234-H238 PolarHBondContact O-CE1 3.13Å; N234-H238 PolarHBondContact O-ND1 3.47Å; K235-H238 WeakPolarHBondContact O-CB 3.24Å; K235-H238 PolarHBondContact O-N 2.84Å; A236-H238 PolarHBondContact O-N 3.3Å |
| 239 | D | 71.7 | Confident | 79.3 | Confident | 113 Ų | 113 | 90.8 Ų | 90.8 | 60% | 0.604 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -90.2 | 126.7 | 177.7 | -65.3 | -30.4 | 0 | 0 | 0 | 110 | A236 D241 | A236-D239 PolarHBondContact O-N 3.2Å; A236-D239 VanDerWaalsContact O-N 3.16Å; D239-D241 PolarHBondContact O-N 2.95Å |
| 240 | A | 69.6 | Low | 79.1 | Confident | 96 Ų | 96 | 94.5 Ų | 94.5 | 79% | 0.793 | 49% | 0.486 | S | S | * | . | trans | -66.6 | 10.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | N242 | A240-N242 PolarHBondContact O-N 3.47Å; A240-N242 VanDerWaalsContact O-N 3.15Å | ||
| 241 | D | 78.4 | Confident | 78.7 | Confident | 115 Ų | 115 | 95.8 Ų | 95.8 | 62% | 0.615 | 49% | 0.491 | S | S | * | . | trans | -86.5 | 86.3 | -175.9 | -83.8 | -11.7 | 0 | 0 | 0 | 112.5 | D239 L243 A244 H245 | D239-D241 PolarHBondContact O-N 2.95Å; D241-L243 PolarHBondContact O-N 2.98Å; D241-A244 HydrophobicContact CB-CB 3.81Å; D241-A244 PolarHBondContact O-N 3.35Å; D241-H245 PolarHBondContact O-N 3.27Å | ||
| 242 | N | 80.1 | Confident | 78.4 | Confident | 141 Ų | 141 | 90.3 Ų | 90.3 | 75% | 0.754 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -49.9 | -36.5 | 177.2 | -73.2 | -30.6 | 0 | 0 | 0 | 113.9 | A240 A246 | A240-N242 PolarHBondContact O-N 3.47Å; A240-N242 VanDerWaalsContact O-N 3.15Å; N242-A246 WeakPolarHBondContact O-CB 3.21Å; N242-A246 PolarHBondContact O-N 2.78Å |
| 243 | L | 78.7 | Confident | 78.4 | Confident | 113 Ų | 113 | 91.6 Ų | 91.6 | 59% | 0.592 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -75.4 | -38.1 | -178.9 | -170.1 | 116.3 | 0 | 0 | 0 | 112.6 | D241 R247 | D241-L243 PolarHBondContact O-N 2.98Å; L243-R247 WeakPolarHBondContact O-CG 3.33Å; L243-R247 PolarHBondContact O-N 3.43Å |
| 244 | A | 77.7 | Confident | 78.4 | Confident | 50 Ų | 50 | 91.2 Ų | 91.2 | 41% | 0.413 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.3 | -44 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | D241 A246 R247 M248 | D241-A244 HydrophobicContact CB-CB 3.81Å; D241-A244 PolarHBondContact O-N 3.35Å; A244-A246 PolarHBondContact O-N 3.44Å; A244-R247 PolarHBondContact O-N 2.93Å; A244-M248 WeakPolarHBondContact O-CB 3.38Å; A244-M248 PolarHBondContact O-N 2.8Å |
| 245 | H | 78.5 | Confident | 78.3 | Confident | 58 Ų | 58 | 86.6 Ų | 86.6 | 27% | 0.269 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -57.6 | -50 | 175.6 | -172 | -80.1 | 0 | 0 | 0 | 112.1 | D241 R247 M248 Q249 | D241-H245 PolarHBondContact O-N 3.27Å; H245-R247 VanDerWaalsContact C-N 3.34Å; H245-R247 PolarHBondContact O-N 3.22Å; H245-M248 PolarHBondContact O-N 3.35Å; H245-M248 VanDerWaalsContact O-N 3.12Å; H245-Q249 WeakPolarHBondContact O-CB 3.5Å; H245-Q249 PolarHBondContact O-N 3.24Å |
| 246 | A | 80.4 | Confident | 78.4 | Confident | 56 Ų | 56 | 84.4 Ų | 84.4 | 46% | 0.463 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N242 A244 M248 M250 | N242-A246 WeakPolarHBondContact O-CB 3.21Å; N242-A246 PolarHBondContact O-N 2.78Å; A244-A246 PolarHBondContact O-N 3.44Å; A246-M248 VanDerWaalsContact C-N 3.33Å; A246-M250 PolarHBondContact O-N 2.98Å |
| 247 | R | 78.4 | Confident | 78.8 | Confident | 170 Ų | 170 | 83.5 Ų | 83.5 | 64% | 0.642 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -66 | -37.3 | 175.4 | -73.9 | 175 | 178.8 | -177.1 | 1.7 | 111.8 | L243 A244 H245 K251 | L243-R247 WeakPolarHBondContact O-CG 3.33Å; L243-R247 PolarHBondContact O-N 3.43Å; A244-R247 PolarHBondContact O-N 2.93Å; H245-R247 VanDerWaalsContact C-N 3.34Å; H245-R247 PolarHBondContact O-N 3.22Å; R247-K251 PolarHBondContact O-N 3.09Å |
| 248 | M | 77.3 | Confident | 79 | Confident | 39 Ų | 39 | 76.3 Ų | 76.3 | 19% | 0.192 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -72 | -42 | 179.6 | -168 | 149.9 | -175.7 | 0 | 0 | 112 | E232 L233 A236 A244 H245 A246 M250 K251 V252 | E232-M248 VanDerWaalsContact C-CE 3.45Å; E232-M248 HydrophobicContact CB-CE 3.43Å; E232-M248 VanDerWaalsContact CB-CE 3.43Å; E232-M248 HydrophobicContact CG-CE 3.49Å; E232-M248 VanDerWaalsContact CG-CE 3.49Å; E232-M248 HydrophobicContact CG-SD 4.44Å; L233-M248 HydrophobicContact CB-CE 4.32Å; L233-M248 HydrophobicContact CD1-CB 4.18Å; L233-M248 HydrophobicContact CD1-CG 3.89Å; L233-M248 VanDerWaalsContact N-CE 3.35Å; A236-M248 HydrophobicContact CB-SD 4.16Å; A244-M248 WeakPolarHBondContact O-CB 3.38Å; A244-M248 PolarHBondContact O-N 2.8Å; H245-M248 PolarHBondContact O-N 3.35Å; H245-M248 VanDerWaalsContact O-N 3.12Å; A246-M248 VanDerWaalsContact C-N 3.33Å; M248-M250 VanDerWaalsContact C-N 3.3Å; M248-M250 PolarHBondContact O-N 3.36Å; M248-K251 WeakPolarHBondContact O-CA 3.2Å; M248-K251 WeakPolarHBondContact O-CB 3.39Å; M248-K251 PolarHBondContact O-N 3.32Å; M248-V252 HydrophobicContact CG-CG2 4.49Å; M248-V252 WeakPolarHBondContact O-CG2 3.32Å; M248-V252 PolarHBondContact O-N 2.9Å |
| 249 | Q | 82.1 | Confident | 79.3 | Confident | 86 Ų | 86 | 69.6 Ų | 69.6 | 40% | 0.402 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -56.3 | -43.7 | 174 | -173.7 | 177.7 | -14.8 | 0 | 0 | 111.8 | H245 K251 V252 E253 | H245-Q249 WeakPolarHBondContact O-CB 3.5Å; H245-Q249 PolarHBondContact O-N 3.24Å; Q249-K251 VanDerWaalsContact C-N 3.3Å; Q249-K251 PolarHBondContact O-N 3.29Å; Q249-V252 PolarHBondContact O-N 3.1Å; Q249-V252 VanDerWaalsContact O-N 3.16Å; Q249-E253 PolarHBondContact NE2-OE1 2.98Å; Q249-E253 WeakPolarHBondContact O-CG 3.41Å; Q249-E253 PolarHBondContact O-N 3.21Å |
| 250 | M | 78.1 | Confident | 80 | Confident | 86 Ų | 86 | 66.6 Ų | 66.6 | 42% | 0.424 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.1 | -37 | 175.3 | -172.5 | -175.9 | -174.1 | 0 | 0 | 112.6 | A246 M248 L254 | A246-M250 PolarHBondContact O-N 2.98Å; M248-M250 VanDerWaalsContact C-N 3.3Å; M248-M250 PolarHBondContact O-N 3.36Å; M250-L254 WeakPolarHBondContact O-CB 3.26Å; M250-L254 PolarHBondContact O-N 2.89Å |
| 251 | K | 77.3 | Confident | 80.7 | Confident | 114 Ų | 114 | 62.2 Ų | 62.2 | 50% | 0.496 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 175.5 | -69.4 | 176.5 | 178.6 | -176.2 | 0 | 111.4 | R247 M248 Q249 L255 | R247-K251 PolarHBondContact O-N 3.09Å; M248-K251 WeakPolarHBondContact O-CA 3.2Å; M248-K251 WeakPolarHBondContact O-CB 3.39Å; M248-K251 PolarHBondContact O-N 3.32Å; Q249-K251 VanDerWaalsContact C-N 3.3Å; Q249-K251 PolarHBondContact O-N 3.29Å; K251-L255 WeakPolarHBondContact O-CB 3.41Å; K251-L255 PolarHBondContact O-N 3.18Å |
| 252 | V | 80.8 | Confident | 81 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.8 | -48.1 | 178.7 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | V229 L233 M248 Q249 L254 L255 H256 | V229-V252 HydrophobicContact CG1-CB 4.14Å; V229-V252 HydrophobicContact CG1-CG1 4.46Å; V229-V252 HydrophobicContact CG1-CG2 3.31Å; L233-V252 HydrophobicContact CB-CG2 4.37Å; L233-V252 HydrophobicContact CD1-CG2 4.24Å; L233-V252 HydrophobicContact CD2-CG1 4.49Å; L233-V252 HydrophobicContact CD2-CG2 3.97Å; L233-V252 HydrophobicContact CG-CG2 4.43Å; M248-V252 HydrophobicContact CG-CG2 4.49Å; M248-V252 WeakPolarHBondContact O-CG2 3.32Å; M248-V252 PolarHBondContact O-N 2.9Å; Q249-V252 PolarHBondContact O-N 3.1Å; Q249-V252 VanDerWaalsContact O-N 3.16Å; V252-L254 VanDerWaalsContact C-N 3.3Å; V252-L254 PolarHBondContact O-N 3.28Å; V252-L255 PolarHBondContact O-N 3.36Å; V252-H256 WeakPolarHBondContact O-CB 3.35Å; V252-H256 PolarHBondContact O-N 3.5Å; V252-H256 PolarHBondContact O-ND1 2.9Å |
| 253 | E | 83 | Confident | 81.2 | Confident | 96 Ų | 96 | 52.3 Ų | 52.3 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 178.3 | -74.3 | 179.7 | -178.6 | 0 | 0 | 111.5 | Q249 T257 | Q249-E253 PolarHBondContact NE2-OE1 2.98Å; Q249-E253 WeakPolarHBondContact O-CG 3.41Å; Q249-E253 PolarHBondContact O-N 3.21Å; E253-T257 WeakPolarHBondContact O-CB 3.46Å; E253-T257 PolarHBondContact O-N 3.48Å; E253-T257 PolarHBondContact O-OG1 3.4Å |
| 254 | L | 79.5 | Confident | 81.6 | Confident | 26 Ų | 26 | 51.2 Ų | 51.2 | 14% | 0.136 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65 | -45.8 | 176.2 | 175.7 | 70.9 | 0 | 0 | 0 | 112.1 | T75 I79 M250 V252 T257 L258 | T75-L254 HydrophobicContact CG2-CD1 3.96Å; T75-L254 HydrophobicContact CG2-CD2 3.41Å; T75-L254 VanDerWaalsContact CG2-CD2 3.41Å; T75-L254 HydrophobicContact CG2-CG 4.29Å; I79-L254 HydrophobicContact CD1-CD1 3.98Å; M250-L254 WeakPolarHBondContact O-CB 3.26Å; M250-L254 PolarHBondContact O-N 2.89Å; V252-L254 VanDerWaalsContact C-N 3.3Å; V252-L254 PolarHBondContact O-N 3.28Å; L254-T257 WeakPolarHBondContact O-CB 3.48Å; L254-T257 PolarHBondContact O-N 2.8Å; L254-L258 HydrophobicContact CG-CD1 4.35Å; L254-L258 WeakPolarHBondContact O-CG 3.48Å; L254-L258 PolarHBondContact O-N 2.89Å |
| 255 | L | 81.3 | Confident | 81.9 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 179.7 | -176.5 | 65.2 | 0 | 0 | 0 | 110.7 | Y222 L225 L226 V229 K251 V252 T257 L258 V259 | Y222-L255 HydrophobicContact CD1-CD1 4.01Å; Y222-L255 HydrophobicContact CE1-CD1 4.19Å; L225-L255 HydrophobicContact CB-CD1 4.21Å; L225-L255 HydrophobicContact CB-CD2 3.9Å; L225-L255 HydrophobicContact CD1-CD1 4.18Å; L226-L255 HydrophobicContact CD2-CB 4.48Å; L226-L255 HydrophobicContact CD2-CD2 3.9Å; L226-L255 HydrophobicContact CD2-CG 3.84Å; L226-L255 HydrophobicContact CG-CD2 4.29Å; L226-L255 HydrophobicContact CG-CG 4.34Å; V229-L255 HydrophobicContact CB-CD2 4.06Å; V229-L255 HydrophobicContact CG1-CD2 4.44Å; V229-L255 HydrophobicContact CG2-CD2 3.85Å; K251-L255 WeakPolarHBondContact O-CB 3.41Å; K251-L255 PolarHBondContact O-N 3.18Å; V252-L255 PolarHBondContact O-N 3.36Å; L255-T257 VanDerWaalsContact C-N 3.28Å; L255-T257 PolarHBondContact O-N 3.29Å; L255-L258 WeakPolarHBondContact O-CB 3.28Å; L255-L258 PolarHBondContact O-N 3.36Å; L255-L258 VanDerWaalsContact O-N 3.14Å; L255-V259 VanDerWaalsContact O-CG2 3.25Å; L255-V259 WeakPolarHBondContact O-CG2 3.37Å; L255-V259 PolarHBondContact O-N 3.26Å |
| 256 | H | 83.5 | Confident | 82.2 | Confident | 56 Ų | 56 | 47.6 Ų | 47.6 | 26% | 0.259 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -55 | -44.4 | 172.4 | -86.4 | 77.7 | 0 | 0 | 0 | 112.2 | E230 V252 L258 V259 I260 | E230-H256 IonicContact OE1-CE1 2.96Å; E230-H256 IonicContact OE1-NE2 3.82Å; V252-H256 WeakPolarHBondContact O-CB 3.35Å; V252-H256 PolarHBondContact O-N 3.5Å; V252-H256 PolarHBondContact O-ND1 2.9Å; H256-L258 VanDerWaalsContact C-N 3.31Å; H256-L258 PolarHBondContact O-N 3.2Å; H256-V259 PolarHBondContact O-N 2.9Å; H256-I260 WeakPolarHBondContact O-CB 3.33Å; H256-I260 WeakPolarHBondContact O-CD1 3.31Å; H256-I260 WeakPolarHBondContact O-CG1 3.37Å; H256-I260 PolarHBondContact O-N 2.97Å |
| 257 | T | 84.9 | Confident | 82.5 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.3 | -42.6 | 178.4 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | E253 L254 L255 S261 V308 Y309 R312 | E253-T257 WeakPolarHBondContact O-CB 3.46Å; E253-T257 PolarHBondContact O-N 3.48Å; E253-T257 PolarHBondContact O-OG1 3.4Å; L254-T257 WeakPolarHBondContact O-CB 3.48Å; L254-T257 PolarHBondContact O-N 2.8Å; L255-T257 VanDerWaalsContact C-N 3.28Å; L255-T257 PolarHBondContact O-N 3.29Å; T257-S261 WeakPolarHBondContact O-CB 3.38Å; T257-S261 PolarHBondContact O-N 3.43Å; T257-V308 HydrophobicContact CG2-CG1 3.57Å; T257-V308 WeakPolarHBondContact O-CG1 3.15Å; T257-Y309 HydrophobicContact CG2-CD1 3.67Å; T257-Y309 HydrophobicContact CG2-CE1 4.02Å; T257-R312 HydrophobicContact CG2-CB 3.8Å; T257-R312 HydrophobicContact CG2-CG 4.22Å; T257-R312 WeakPolarHBondContact OG1-CB 3.49Å |
| 258 | L | 81.1 | Confident | 82.9 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.9 | -44.1 | 177.5 | -70.3 | 168.5 | 0 | 0 | 0 | 111.9 | T139 R143 Y222 L254 L255 H256 I260 S261 I262 Y309 | T139-L258 HydrophobicContact CG2-CD1 3.64Å; T139-L258 HydrophobicContact CG2-CD2 4.08Å; R143-L258 HydrophobicContact CG-CD1 4.48Å; Y222-L258 HydrophobicContact CE1-CB 4.43Å; Y222-L258 HydrophobicContact CE2-CB 4.03Å; L254-L258 HydrophobicContact CG-CD1 4.35Å; L254-L258 WeakPolarHBondContact O-CG 3.48Å; L254-L258 PolarHBondContact O-N 2.89Å; L255-L258 WeakPolarHBondContact O-CB 3.28Å; L255-L258 PolarHBondContact O-N 3.36Å; L255-L258 VanDerWaalsContact O-N 3.14Å; H256-L258 VanDerWaalsContact C-N 3.31Å; H256-L258 PolarHBondContact O-N 3.2Å; L258-I260 PolarHBondContact O-N 2.66Å; L258-S261 PolarHBondContact O-N 3.39Å; L258-I262 WeakPolarHBondContact O-CG1 3.28Å; L258-I262 PolarHBondContact O-N 2.86Å; L258-Y309 HydrophobicContact CD2-CE1 4.27Å |
| 259 | V | 83.9 | Confident | 83.1 | Confident | 22 Ų | 22 | 41.1 Ų | 41.1 | 13% | 0.133 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.6 | -44.7 | 178.2 | -178 | 0 | 0 | 0 | 0 | 111 | Y222 L226 L255 H256 I262 A263 | Y222-V259 HydrophobicContact CD1-CG2 4.36Å; Y222-V259 HydrophobicContact CD2-CB 4.48Å; Y222-V259 HydrophobicContact CD2-CG2 3.99Å; Y222-V259 HydrophobicContact CG-CG2 3.78Å; L226-V259 HydrophobicContact CD1-CB 3.85Å; L226-V259 HydrophobicContact CD1-CG1 3.7Å; L226-V259 HydrophobicContact CD1-CG2 3.43Å; L226-V259 VanDerWaalsContact CD1-CG2 3.43Å; L226-V259 HydrophobicContact CD2-CG2 4.05Å; L226-V259 HydrophobicContact CG-CG2 3.64Å; L255-V259 VanDerWaalsContact O-CG2 3.25Å; L255-V259 WeakPolarHBondContact O-CG2 3.37Å; L255-V259 PolarHBondContact O-N 3.26Å; H256-V259 PolarHBondContact O-N 2.9Å; V259-I262 PolarHBondContact O-N 2.03Å; V259-A263 VanDerWaalsContact O-CB 3.28Å; V259-A263 WeakPolarHBondContact O-CB 3.34Å; V259-A263 PolarHBondContact O-N 2.91Å |
| 260 | I | 85.8 | Confident | 83.1 | Confident | 50 Ų | 50 | 39 Ų | 39 | 26% | 0.256 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.6 | -46.2 | 178.4 | -67.7 | 166.7 | 0 | 0 | 0 | 110.5 | H256 L258 I262 A263 F264 V308 | H256-I260 WeakPolarHBondContact O-CB 3.33Å; H256-I260 WeakPolarHBondContact O-CD1 3.31Å; H256-I260 WeakPolarHBondContact O-CG1 3.37Å; H256-I260 PolarHBondContact O-N 2.97Å; L258-I260 PolarHBondContact O-N 2.66Å; I260-I262 VanDerWaalsContact C-N 3.33Å; I260-I262 PolarHBondContact O-N 3.24Å; I260-A263 PolarHBondContact O-N 2.81Å; I260-F264 HydrophobicContact CG2-CD2 3.66Å; I260-F264 HydrophobicContact CG2-CE2 3.42Å; I260-F264 VanDerWaalsContact CG2-CE2 3.42Å; I260-F264 WeakPolarHBondContact O-CD2 3.15Å; I260-F264 PolarHBondContact O-N 3.36Å; I260-V308 HydrophobicContact CB-CG1 4.34Å; I260-V308 HydrophobicContact CG2-CG1 4.14Å; I260-V308 HydrophobicContact CG2-CG2 3.76Å |
| 261 | S | 85.1 | Confident | 83.4 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 3% | 0.028 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.2 | -46.8 | 177.7 | 168.7 | 0 | 0 | 0 | 0 | 111.5 | T257 L258 F264 F265 N305 | T257-S261 WeakPolarHBondContact O-CB 3.38Å; T257-S261 PolarHBondContact O-N 3.43Å; L258-S261 PolarHBondContact O-N 3.39Å; S261-F264 PolarHBondContact O-N 2.93Å; S261-F265 PolarHBondContact O-N 3.02Å; S261-N305 PolarHBondContact OG-OD1 2.97Å |
| 262 | I | 82.9 | Confident | 83.5 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 4% | 0.036 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.5 | -43.7 | 178.5 | -65.8 | -155.3 | 0 | 0 | 0 | 111.4 | S136 I218 L219 Y222 L258 V259 I260 F264 F265 T266 | S136-I262 WeakPolarHBondContact OG-CD1 3.48Å; I218-I262 HydrophobicContact CG2-CD1 3.36Å; I218-I262 HydrophobicContact CG2-CG2 3.97Å; L219-I262 HydrophobicContact CD2-CG2 3.87Å; L219-I262 HydrophobicContact CG-CG2 4.5Å; Y222-I262 HydrophobicContact CD2-CB 4.32Å; Y222-I262 HydrophobicContact CD2-CD1 4Å; Y222-I262 HydrophobicContact CD2-CG1 4.39Å; Y222-I262 HydrophobicContact CE2-CB 4.16Å; Y222-I262 HydrophobicContact CE2-CD1 3.23Å; Y222-I262 HydrophobicContact CE2-CG1 3.74Å; L258-I262 WeakPolarHBondContact O-CG1 3.28Å; L258-I262 PolarHBondContact O-N 2.86Å; V259-I262 PolarHBondContact O-N 2.03Å; I260-I262 VanDerWaalsContact C-N 3.33Å; I260-I262 PolarHBondContact O-N 3.24Å; I262-F264 PolarHBondContact O-N 3Å; I262-F265 CarbonylContact O-C 3.57Å; I262-F265 WeakPolarHBondContact O-CA 3.32Å; I262-F265 WeakPolarHBondContact O-CB 3.41Å; I262-F265 PolarHBondContact O-N 3.42Å; I262-T266 HydrophobicContact CG2-CG2 3.79Å; I262-T266 VanDerWaalsContact O-CG2 3.27Å; I262-T266 WeakPolarHBondContact O-CG2 3.32Å; I262-T266 PolarHBondContact O-N 3.18Å; I262-T266 PolarHBondContact O-OG1 3.4Å |
| 263 | A | 85.4 | Confident | 83.3 | Confident | 41 Ų | 41 | 34.3 Ų | 34.3 | 34% | 0.339 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -55.9 | -39.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V259 I260 T266 L267 | V259-A263 VanDerWaalsContact O-CB 3.28Å; V259-A263 WeakPolarHBondContact O-CB 3.34Å; V259-A263 PolarHBondContact O-N 2.91Å; I260-A263 PolarHBondContact O-N 2.81Å; A263-T266 WeakPolarHBondContact CA-OG1 3.41Å; A263-T266 PolarHBondContact O-OG1 3.05Å; A263-L267 WeakPolarHBondContact O-CB 3.07Å; A263-L267 PolarHBondContact O-N 3.11Å |
| 264 | F | 87.2 | Confident | 83.1 | Confident | 90 Ų | 90 | 35.5 Ų | 35.5 | 40% | 0.395 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.7 | -43.7 | 172.7 | -79.5 | -61.1 | 0 | 0 | 0 | 112.4 | I260 S261 I262 L267 T268 A304 V308 | I260-F264 HydrophobicContact CG2-CD2 3.66Å; I260-F264 HydrophobicContact CG2-CE2 3.42Å; I260-F264 VanDerWaalsContact CG2-CE2 3.42Å; I260-F264 WeakPolarHBondContact O-CD2 3.15Å; I260-F264 PolarHBondContact O-N 3.36Å; S261-F264 PolarHBondContact O-N 2.93Å; I262-F264 PolarHBondContact O-N 3Å; F264-L267 PolarHBondContact O-N 2.91Å; F264-T268 WeakPolarHBondContact O-CB 3.49Å; F264-T268 VanDerWaalsContact O-CG2 3.31Å; F264-T268 WeakPolarHBondContact O-CG2 3.29Å; F264-T268 PolarHBondContact O-N 3.11Å; F264-T268 PolarHBondContact O-OG1 3.1Å; F264-A304 HydrophobicContact CB-CB 4.09Å; F264-A304 HydrophobicContact CG-CB 4.23Å; F264-V308 HydrophobicContact CD2-CG2 3.94Å; F264-V308 HydrophobicContact CE2-CG2 4.02Å |
| 265 | F | 84.6 | Confident | 83 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 5% | 0.048 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.1 | -48.2 | 175.3 | 177.5 | -105.9 | 0 | 0 | 0 | 111.8 | Y86 I132 V133 I215 S261 I262 L267 T268 V269 | Y86-F265 HydrophobicContact CE1-CD2 4.05Å; Y86-F265 HydrophobicContact CE1-CE2 4.41Å; Y86-F265 VanDerWaalsContact OH-CD2 3.28Å; Y86-F265 WeakPolarHBondContact OH-CD2 3.24Å; I132-F265 HydrophobicContact CB-CE2 4.49Å; I132-F265 HydrophobicContact CB-CZ 4.33Å; I132-F265 HydrophobicContact CD1-CE2 4.25Å; I132-F265 HydrophobicContact CG2-CD1 4.33Å; I132-F265 HydrophobicContact CG2-CD2 4.12Å; I132-F265 HydrophobicContact CG2-CE1 4.04Å; I132-F265 HydrophobicContact CG2-CE2 3.8Å; I132-F265 HydrophobicContact CG2-CG 4.36Å; I132-F265 HydrophobicContact CG2-CZ 3.75Å; V133-F265 HydrophobicContact CG2-CE1 4Å; V133-F265 HydrophobicContact CG2-CZ 4.26Å; I215-F265 HydrophobicContact CD1-CE1 4.11Å; I215-F265 HydrophobicContact CG1-CE1 4.42Å; S261-F265 PolarHBondContact O-N 3.02Å; I262-F265 CarbonylContact O-C 3.57Å; I262-F265 WeakPolarHBondContact O-CA 3.32Å; I262-F265 WeakPolarHBondContact O-CB 3.41Å; I262-F265 PolarHBondContact O-N 3.42Å; F265-L267 VanDerWaalsContact C-N 3.34Å; F265-L267 PolarHBondContact O-N 2.78Å; F265-T268 WeakPolarHBondContact CA-OG1 3.4Å; F265-T268 PolarHBondContact O-N 3.16Å; F265-T268 PolarHBondContact O-OG1 2.93Å; F265-V269 HydrophobicContact CD1-CG2 4.48Å; F265-V269 HydrophobicContact CD2-CG2 4.12Å; F265-V269 HydrophobicContact CE1-CG2 4.09Å; F265-V269 HydrophobicContact CE2-CG2 3.71Å; F265-V269 HydrophobicContact CZ-CG2 3.71Å; F265-V269 WeakPolarHBondContact O-CB 3.43Å; F265-V269 WeakPolarHBondContact O-CG2 3.02Å; F265-V269 PolarHBondContact O-N 3.08Å |
| 266 | T | 84.2 | Confident | 82.4 | Confident | 21 Ų | 21 | 36.6 Ų | 36.6 | 13% | 0.129 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -40.7 | 178.7 | 59.6 | 0 | 0 | 0 | 0 | 111.7 | I215 L219 I262 A263 A270 | I215-T266 HydrophobicContact CG2-CG2 3.25Å; L219-T266 HydrophobicContact CD1-CG2 3.91Å; L219-T266 HydrophobicContact CD2-CG2 4.09Å; L219-T266 HydrophobicContact CG-CG2 4.02Å; I262-T266 HydrophobicContact CG2-CG2 3.79Å; I262-T266 VanDerWaalsContact O-CG2 3.27Å; I262-T266 WeakPolarHBondContact O-CG2 3.32Å; I262-T266 PolarHBondContact O-N 3.18Å; I262-T266 PolarHBondContact O-OG1 3.4Å; A263-T266 WeakPolarHBondContact CA-OG1 3.41Å; A263-T266 PolarHBondContact O-OG1 3.05Å; T266-A270 WeakPolarHBondContact O-CB 3.3Å; T266-A270 PolarHBondContact O-N 3.17Å |
| 267 | L | 87.2 | Confident | 81.8 | Confident | 103 Ų | 103 | 37.1 Ų | 37.1 | 54% | 0.539 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.1 | -46.1 | 177.1 | -178 | 65.5 | 0 | 0 | 0 | 111.1 | A263 F264 F265 A270 V271 | A263-L267 WeakPolarHBondContact O-CB 3.07Å; A263-L267 PolarHBondContact O-N 3.11Å; F264-L267 PolarHBondContact O-N 2.91Å; F265-L267 VanDerWaalsContact C-N 3.34Å; F265-L267 PolarHBondContact O-N 2.78Å; L267-A270 PolarHBondContact O-N 3.04Å; L267-V271 HydrophobicContact CD1-CG2 4.17Å; L267-V271 HydrophobicContact CG-CG2 4.48Å; L267-V271 WeakPolarHBondContact O-CB 3.41Å; L267-V271 WeakPolarHBondContact O-CG2 3.28Å; L267-V271 PolarHBondContact O-N 3.48Å |
| 268 | T | 86.4 | Confident | 81.2 | Confident | 13 Ų | 13 | 40.2 Ų | 40.2 | 8% | 0.08 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.1 | -42.7 | 179.8 | 49.8 | 0 | 0 | 0 | 0 | 112 | F264 F265 S272 V297 G298 L300 | F264-T268 WeakPolarHBondContact O-CB 3.49Å; F264-T268 VanDerWaalsContact O-CG2 3.31Å; F264-T268 WeakPolarHBondContact O-CG2 3.29Å; F264-T268 PolarHBondContact O-N 3.11Å; F264-T268 PolarHBondContact O-OG1 3.1Å; F265-T268 WeakPolarHBondContact CA-OG1 3.4Å; F265-T268 PolarHBondContact O-N 3.16Å; F265-T268 PolarHBondContact O-OG1 2.93Å; T268-S272 VanDerWaalsContact O-CB 3.24Å; T268-S272 WeakPolarHBondContact O-CB 3.35Å; T268-S272 PolarHBondContact O-N 3.42Å; T268-V297 HydrophobicContact CG2-CG1 4.47Å; T268-G298 WeakPolarHBondContact O-CA 3.45Å; T268-L300 HydrophobicContact CG2-CB 4.38Å |
| 269 | V | 81.5 | Confident | 80.6 | Confident | 12 Ų | 12 | 40.1 Ų | 40.1 | 7% | 0.073 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.6 | -45.9 | 175 | 173 | 0 | 0 | 0 | 0 | 111.4 | F265 V271 S272 N273 | F265-V269 HydrophobicContact CD1-CG2 4.48Å; F265-V269 HydrophobicContact CD2-CG2 4.12Å; F265-V269 HydrophobicContact CE1-CG2 4.09Å; F265-V269 HydrophobicContact CE2-CG2 3.71Å; F265-V269 HydrophobicContact CZ-CG2 3.71Å; F265-V269 WeakPolarHBondContact O-CB 3.43Å; F265-V269 WeakPolarHBondContact O-CG2 3.02Å; F265-V269 PolarHBondContact O-N 3.08Å; V269-V271 PolarHBondContact O-N 3.1Å; V269-S272 PolarHBondContact O-N 3.01Å; V269-N273 WeakPolarHBondContact O-CB 3.27Å; V269-N273 PolarHBondContact O-N 3.41Å |
| 270 | A | 82.4 | Confident | 79.7 | Confident | 42 Ų | 42 | 43.6 Ų | 43.6 | 35% | 0.347 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T266 L267 N273 M274 | T266-A270 WeakPolarHBondContact O-CB 3.3Å; T266-A270 PolarHBondContact O-N 3.17Å; L267-A270 PolarHBondContact O-N 3.04Å; A270-N273 PolarHBondContact O-N 3.29Å; A270-M274 WeakPolarHBondContact O-CB 3.3Å; A270-M274 VanDerWaalsContact O-CG 3.26Å; A270-M274 WeakPolarHBondContact O-CG 3.4Å; A270-M274 PolarHBondContact O-N 2.69Å |
| 271 | V | 83.4 | Confident | 78.9 | Confident | 47 Ų | 47 | 45.7 Ų | 45.7 | 29% | 0.285 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 175.9 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | L267 V269 M274 L275 V297 | L267-V271 HydrophobicContact CD1-CG2 4.17Å; L267-V271 HydrophobicContact CG-CG2 4.48Å; L267-V271 WeakPolarHBondContact O-CB 3.41Å; L267-V271 WeakPolarHBondContact O-CG2 3.28Å; L267-V271 PolarHBondContact O-N 3.48Å; V269-V271 PolarHBondContact O-N 3.1Å; V271-M274 PolarHBondContact O-N 2.72Å; V271-L275 HydrophobicContact CG1-CD1 3.61Å; V271-L275 HydrophobicContact CG1-CG 4.26Å; V271-L275 WeakPolarHBondContact O-CB 3.42Å; V271-L275 WeakPolarHBondContact O-CD1 3.34Å; V271-L275 WeakPolarHBondContact O-CG 3.48Å; V271-L275 PolarHBondContact O-N 2.94Å; V271-V297 HydrophobicContact CG1-CB 4.43Å; V271-V297 HydrophobicContact CG1-CG1 4.08Å |
| 272 | S | 79.2 | Confident | 78 | Confident | 20 Ų | 20 | 49.1 Ų | 49.1 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 176.9 | -171.1 | 0 | 0 | 0 | 0 | 112.1 | T268 V269 L275 T276 A295 | T268-S272 VanDerWaalsContact O-CB 3.24Å; T268-S272 WeakPolarHBondContact O-CB 3.35Å; T268-S272 PolarHBondContact O-N 3.42Å; V269-S272 PolarHBondContact O-N 3.01Å; S272-L275 PolarHBondContact O-N 3.47Å; S272-T276 WeakPolarHBondContact O-CB 3.42Å; S272-T276 PolarHBondContact O-N 3.16Å; S272-T276 PolarHBondContact O-OG1 3.32Å; S272-A295 WeakPolarHBondContact CB-O 3.42Å; S272-A295 PolarHBondContact OG-O 3.46Å |
| 273 | N | 76.5 | Confident | 76.7 | Confident | 49 Ų | 49 | 60.8 Ų | 60.8 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 177.5 | -75.6 | -2.5 | 0 | 0 | 0 | 111.8 | Q208 V269 A270 T276 T277 | Q208-N273 PolarHBondContact NE2-ND2 3.44Å; Q208-N273 VanDerWaalsContact NE2-ND2 3.13Å; V269-N273 WeakPolarHBondContact O-CB 3.27Å; V269-N273 PolarHBondContact O-N 3.41Å; A270-N273 PolarHBondContact O-N 3.29Å; N273-T276 PolarHBondContact O-N 3.39Å; N273-T277 WeakPolarHBondContact O-CB 3.42Å; N273-T277 PolarHBondContact O-N 2.87Å; N273-T277 PolarHBondContact O-OG1 3.18Å |
| 274 | M | 78.4 | Confident | 75.6 | Confident | 122 Ų | 122 | 62.5 Ų | 62.5 | 60% | 0.601 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.2 | -49.5 | 176.3 | -76 | 178 | -177.9 | 0 | 0 | 111.7 | A270 V271 T276 T277 I278 | A270-M274 WeakPolarHBondContact O-CB 3.3Å; A270-M274 VanDerWaalsContact O-CG 3.26Å; A270-M274 WeakPolarHBondContact O-CG 3.4Å; A270-M274 PolarHBondContact O-N 2.69Å; V271-M274 PolarHBondContact O-N 2.72Å; M274-T276 VanDerWaalsContact C-N 3.31Å; M274-T276 PolarHBondContact O-N 2.91Å; M274-T277 PolarHBondContact O-N 3.49Å; M274-I278 VanDerWaalsContact O-CG1 3.31Å; M274-I278 WeakPolarHBondContact O-CG1 3.29Å; M274-I278 PolarHBondContact O-N 2.84Å |
| 275 | L | 77.4 | Confident | 74 | Confident | 31 Ų | 31 | 62 Ų | 62 | 16% | 0.162 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.7 | -41 | 179.2 | -70.9 | 168.1 | 0 | 0 | 0 | 111.6 | V271 S272 T277 I278 G279 Y291 Y294 A295 | V271-L275 HydrophobicContact CG1-CD1 3.61Å; V271-L275 HydrophobicContact CG1-CG 4.26Å; V271-L275 WeakPolarHBondContact O-CB 3.42Å; V271-L275 WeakPolarHBondContact O-CD1 3.34Å; V271-L275 WeakPolarHBondContact O-CG 3.48Å; V271-L275 PolarHBondContact O-N 2.94Å; S272-L275 PolarHBondContact O-N 3.47Å; L275-T277 VanDerWaalsContact C-N 3.34Å; L275-T277 PolarHBondContact O-N 3.2Å; L275-I278 PolarHBondContact O-N 3.01Å; L275-G279 PolarHBondContact O-N 3.05Å; L275-Y291 HydrophobicContact CD2-CD1 3.95Å; L275-Y294 VanDerWaalsContact CD1-C 3.46Å; L275-Y294 WeakPolarHBondContact CD1-O 3.34Å; L275-A295 HydrophobicContact CB-CB 4.12Å |
| 276 | T | 69.4 | Low | 72.8 | Confident | 22 Ų | 22 | 67.5 Ų | 67.5 | 14% | 0.135 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 177.2 | -48 | 0 | 0 | 0 | 0 | 111.7 | F195 S272 N273 M274 M280 A295 | F195-T276 HydrophobicContact CB-CG2 3.33Å; F195-T276 HydrophobicContact CD1-CG2 4.23Å; F195-T276 HydrophobicContact CD2-CG2 3.79Å; F195-T276 HydrophobicContact CG-CG2 3.53Å; S272-T276 WeakPolarHBondContact O-CB 3.42Å; S272-T276 PolarHBondContact O-N 3.16Å; S272-T276 PolarHBondContact O-OG1 3.32Å; N273-T276 PolarHBondContact O-N 3.39Å; M274-T276 VanDerWaalsContact C-N 3.31Å; M274-T276 PolarHBondContact O-N 2.91Å; T276-M280 VanDerWaalsContact O-CG 3.25Å; T276-M280 WeakPolarHBondContact O-CG 3.39Å; T276-M280 PolarHBondContact O-N 3.3Å; T276-A295 WeakPolarHBondContact OG1-CB 3.47Å |
| 277 | T | 70.2 | Confident | 71.8 | Confident | 67 Ų | 67 | 69.1 Ų | 69.1 | 41% | 0.411 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64 | -46.4 | 175.7 | -55.8 | 0 | 0 | 0 | 0 | 111 | N273 M274 L275 M280 T281 | N273-T277 WeakPolarHBondContact O-CB 3.42Å; N273-T277 PolarHBondContact O-N 2.87Å; N273-T277 PolarHBondContact O-OG1 3.18Å; M274-T277 PolarHBondContact O-N 3.49Å; L275-T277 VanDerWaalsContact C-N 3.34Å; L275-T277 PolarHBondContact O-N 3.2Å; T277-M280 PolarHBondContact O-N 3.19Å; T277-T281 PolarHBondContact O-N 2.99Å; T277-T281 VanDerWaalsContact O-N 3.16Å; T277-T281 PolarHBondContact O-OG1 2.9Å |
| 278 | I | 73.9 | Confident | 70.6 | Confident | 66 Ų | 66 | 65 Ų | 65 | 34% | 0.338 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.4 | -48.2 | 178.1 | -66.9 | 165.7 | 0 | 0 | 0 | 110.3 | M274 L275 M280 T281 E282 Y291 | M274-I278 VanDerWaalsContact O-CG1 3.31Å; M274-I278 WeakPolarHBondContact O-CG1 3.29Å; M274-I278 PolarHBondContact O-N 2.84Å; L275-I278 PolarHBondContact O-N 3.01Å; I278-M280 PolarHBondContact O-N 3.38Å; I278-M280 VanDerWaalsContact O-N 3.17Å; I278-T281 WeakPolarHBondContact CA-OG1 3.44Å; I278-T281 PolarHBondContact O-N 3.27Å; I278-T281 PolarHBondContact O-OG1 2.97Å; I278-E282 PolarHBondContact O-N 2.88Å; I278-Y291 HydrophobicContact CB-CD1 4.48Å; I278-Y291 HydrophobicContact CG2-CD1 3.99Å; I278-Y291 HydrophobicContact CG2-CD2 3.97Å; I278-Y291 HydrophobicContact CG2-CE1 3.7Å; I278-Y291 HydrophobicContact CG2-CE2 3.68Å; I278-Y291 HydrophobicContact CG2-CG 4.14Å |
| 279 | G | 67.9 | Low | 69.4 | Low | 3 Ų | 3 | 66.1 Ų | 66.1 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.1 | -28.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | L275 A288 | L275-G279 PolarHBondContact O-N 3.05Å; G279-A288 WeakPolarHBondContact O-CB 3.41Å |
| 280 | M | 64.4 | Low | 68.6 | Low | 95 Ų | 95 | 69.4 Ų | 69.4 | 47% | 0.468 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -85.2 | -23.4 | 177.4 | -68.8 | -77.6 | -57.9 | 0 | 0 | 113.5 | F195 T196 T276 T277 I278 | F195-M280 HydrophobicContact CD1-CB 4.43Å; F195-M280 HydrophobicContact CD1-CE 4.04Å; F195-M280 HydrophobicContact CD1-CG 3.58Å; F195-M280 HydrophobicContact CD1-SD 4.15Å; F195-M280 HydrophobicContact CE1-CB 3.77Å; F195-M280 HydrophobicContact CE1-CE 3.93Å; F195-M280 HydrophobicContact CE1-CG 3.41Å; F195-M280 VanDerWaalsContact CE1-CG 3.41Å; F195-M280 HydrophobicContact CE1-SD 4.3Å; F195-M280 HydrophobicContact CZ-CB 4.32Å; F195-M280 HydrophobicContact CZ-CG 4.25Å; T196-M280 HydrophobicContact CG2-CE 4.18Å; T276-M280 VanDerWaalsContact O-CG 3.25Å; T276-M280 WeakPolarHBondContact O-CG 3.39Å; T276-M280 PolarHBondContact O-N 3.3Å; T277-M280 PolarHBondContact O-N 3.19Å; I278-M280 PolarHBondContact O-N 3.38Å; I278-M280 VanDerWaalsContact O-N 3.17Å |
| 281 | T | 69.5 | Low | 67.8 | Low | 93 Ų | 93 | 71 Ų | 71 | 57% | 0.571 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -85 | -17.7 | 173.1 | 54.4 | 0 | 0 | 0 | 0 | 113 | T277 I278 | T277-T281 PolarHBondContact O-N 2.99Å; T277-T281 VanDerWaalsContact O-N 3.16Å; T277-T281 PolarHBondContact O-OG1 2.9Å; I278-T281 WeakPolarHBondContact CA-OG1 3.44Å; I278-T281 PolarHBondContact O-N 3.27Å; I278-T281 PolarHBondContact O-OG1 2.97Å |
| 282 | E | 66.6 | Low | 66.8 | Low | 76 Ų | 76 | 72 Ų | 72 | 36% | 0.355 | 36% | 0.355 | S | S | . | . | trans | -73.6 | 129.3 | 178.4 | -158.3 | 61.2 | -118.7 | 0 | 0 | 109.9 | I278 D284 N287 Y291 | I278-E282 PolarHBondContact O-N 2.88Å; E282-D284 VanDerWaalsContact C-N 3.33Å; E282-D284 HydrophobicContact CG-CB 4.37Å; E282-N287 HydrophobicContact CG-CB 3.77Å; E282-Y291 HydrophobicContact CG-CE2 4.3Å | ||
| 283 | W | 54.6 | Low | 66.3 | Low | 252 Ų | 252 | 74.6 Ų | 74.6 | 96% | 0.955 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -83.2 | -19.1 | -179.2 | -66.7 | 68.2 | 0 | 0 | 0 | 111.8 | ||
| 284 | D | 62.8 | Low | 66 | Low | 78 Ų | 78 | 78.5 Ų | 78.5 | 42% | 0.417 | 38% | 0.376 | S | S | . | . | trans | -88.8 | 115.3 | 178.3 | -166.2 | -12.9 | 0 | 0 | 0 | 110 | E282 E286 N287 A288 | E282-D284 VanDerWaalsContact C-N 3.33Å; E282-D284 HydrophobicContact CG-CB 4.37Å; D284-E286 VanDerWaalsContact C-N 3.35Å; D284-E286 PolarHBondContact O-N 2.88Å; D284-E286 PolarHBondContact OD1-N 3.04Å; D284-N287 HydrophobicContact CB-CB 4.29Å; D284-N287 PolarHBondContact O-N 2.99Å; D284-N287 PolarHBondContact OD2-ND2 2.72Å; D284-N287 VanDerWaalsContact OD2-ND2 3.12Å; D284-A288 WeakPolarHBondContact O-CB 3.2Å; D284-A288 PolarHBondContact O-N 2.92Å | ||
| 285 | Y | 53.9 | Low | 65.6 | Low | 79 Ų | 79 | 73 Ų | 73 | 31% | 0.31 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.3 | -34.5 | -173.5 | 179.2 | -98.8 | 0 | 0 | 0 | 113.1 | Y33 N287 A288 I289 | Y33-Y285 HydrophobicContact CD1-CE1 4Å; Y33-Y285 AromaticContact CE1-CD1 3.44Å; Y33-Y285 HydrophobicContact CE1-CD1 3.44Å; Y33-Y285 VanDerWaalsContact CE1-CD1 3.44Å; Y33-Y285 HydrophobicContact CE1-CD2 4.14Å; Y33-Y285 AromaticContact CE1-CE1 3.15Å; Y33-Y285 HydrophobicContact CE1-CE1 3.15Å; Y33-Y285 AromaticContact CE1-CE2 3.93Å; Y33-Y285 HydrophobicContact CE1-CE2 3.93Å; Y33-Y285 AromaticContact CE1-CG 3.91Å; Y33-Y285 HydrophobicContact CE1-CG 3.91Å; Y33-Y285 AromaticContact CE1-CZ 3.42Å; Y33-Y285 VanDerWaalsContact CE1-CZ 3.42Å; Y33-Y285 AromaticContact CZ-CD1 3.82Å; Y33-Y285 AromaticContact CZ-CD2 3.87Å; Y33-Y285 AromaticContact CZ-CE1 3.88Å; Y33-Y285 AromaticContact CZ-CE2 3.97Å; Y33-Y285 AromaticContact CZ-CG 3.78Å; Y33-Y285 AromaticContact CZ-CZ 3.96Å; Y33-Y285 WeakPolarHBondContact OH-CB 3.43Å; Y33-Y285 VanDerWaalsContact OH-CD1 3.32Å; Y33-Y285 WeakPolarHBondContact OH-CD1 3.49Å; Y33-Y285 WeakPolarHBondContact OH-CD2 3.35Å; Y285-N287 VanDerWaalsContact C-N 3.32Å; Y285-N287 PolarHBondContact O-N 3.26Å; Y285-A288 PolarHBondContact O-N 3.22Å; Y285-I289 HydrophobicContact CD1-CD1 3.65Å; Y285-I289 HydrophobicContact CD1-CG1 4.22Å; Y285-I289 HydrophobicContact CE1-CD1 2.99Å; Y285-I289 HydrophobicContact CE1-CG1 3.81Å; Y285-I289 HydrophobicContact CE2-CD1 4.21Å; Y285-I289 HydrophobicContact CE2-CG1 4.21Å; Y285-I289 HydrophobicContact CG-CD1 4.49Å; Y285-I289 PolarHBondContact O-N 3.43Å |
| 286 | E | 59.8 | Low | 65.2 | Low | 126 Ų | 126 | 72.7 Ų | 72.7 | 59% | 0.589 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -60.9 | -47.2 | 177.6 | -70.9 | -170.3 | 175.7 | 0 | 0 | 110.1 | D284 E290 | D284-E286 VanDerWaalsContact C-N 3.35Å; D284-E286 PolarHBondContact O-N 2.88Å; D284-E286 PolarHBondContact OD1-N 3.04Å; E286-E290 WeakPolarHBondContact O-CB 3.25Å; E286-E290 PolarHBondContact O-N 2.87Å; E286-E290 VanDerWaalsContact O-N 3.08Å |
| 287 | N | 63.5 | Low | 65.6 | Low | 56 Ų | 56 | 74 Ų | 74 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 175.9 | -65.1 | -36.6 | 0 | 0 | 0 | 111.1 | E282 D284 Y285 I289 E290 Y291 | E282-N287 HydrophobicContact CG-CB 3.77Å; D284-N287 HydrophobicContact CB-CB 4.29Å; D284-N287 PolarHBondContact O-N 2.99Å; D284-N287 PolarHBondContact OD2-ND2 2.72Å; D284-N287 VanDerWaalsContact OD2-ND2 3.12Å; Y285-N287 VanDerWaalsContact C-N 3.32Å; Y285-N287 PolarHBondContact O-N 3.26Å; N287-I289 PolarHBondContact O-N 3.49Å; N287-E290 WeakPolarHBondContact O-CB 3.47Å; N287-E290 PolarHBondContact O-N 2.89Å; N287-E290 VanDerWaalsContact O-N 3.12Å; N287-Y291 HydrophobicContact CB-CD2 4.47Å; N287-Y291 HydrophobicContact CB-CE2 4.18Å; N287-Y291 WeakPolarHBondContact O-CD2 3.3Å; N287-Y291 PolarHBondContact O-N 3.25Å |
| 288 | A | 60.7 | Low | 65.9 | Low | 16 Ų | 16 | 71.4 Ų | 71.4 | 13% | 0.132 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.3 | -48.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G279 D284 Y285 E290 Y291 V292 | G279-A288 WeakPolarHBondContact O-CB 3.41Å; D284-A288 WeakPolarHBondContact O-CB 3.2Å; D284-A288 PolarHBondContact O-N 2.92Å; Y285-A288 PolarHBondContact O-N 3.22Å; A288-E290 VanDerWaalsContact C-N 3.31Å; A288-E290 PolarHBondContact O-N 3.45Å; A288-Y291 PolarHBondContact O-N 3.01Å; A288-V292 WeakPolarHBondContact O-CG2 3.48Å; A288-V292 PolarHBondContact O-N 3.41Å; A288-V292 VanDerWaalsContact O-N 3.1Å |
| 289 | I | 61.2 | Low | 66.2 | Low | 36 Ų | 36 | 71 Ų | 71 | 19% | 0.185 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 173.7 | -68.9 | 171.1 | 0 | 0 | 0 | 109.8 | P39 Y285 N287 Y291 V292 K293 | P39-I289 HydrophobicContact CG-CG2 3.84Å; Y285-I289 HydrophobicContact CD1-CD1 3.65Å; Y285-I289 HydrophobicContact CD1-CG1 4.22Å; Y285-I289 HydrophobicContact CE1-CD1 2.99Å; Y285-I289 HydrophobicContact CE1-CG1 3.81Å; Y285-I289 HydrophobicContact CE2-CD1 4.21Å; Y285-I289 HydrophobicContact CE2-CG1 4.21Å; Y285-I289 HydrophobicContact CG-CD1 4.49Å; Y285-I289 PolarHBondContact O-N 3.43Å; N287-I289 PolarHBondContact O-N 3.49Å; I289-Y291 VanDerWaalsContact C-N 3.3Å; I289-Y291 PolarHBondContact O-N 3.27Å; I289-V292 CarbonylContact O-C 3.56Å; I289-V292 WeakPolarHBondContact O-CA 3.4Å; I289-V292 WeakPolarHBondContact O-CB 3.37Å; I289-V292 PolarHBondContact O-N 3.26Å; I289-K293 HydrophobicContact CG2-CD 4.48Å; I289-K293 HydrophobicContact CG2-CG 4.19Å; I289-K293 WeakPolarHBondContact O-CG 3.37Å; I289-K293 PolarHBondContact O-N 3.41Å |
| 290 | E | 64.6 | Low | 67.1 | Low | 82 Ų | 82 | 74.3 Ų | 74.3 | 38% | 0.383 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.5 | -42.3 | -177.8 | -163.1 | 179.6 | 178.8 | 0 | 0 | 112 | E286 N287 A288 V292 K293 Y294 | E286-E290 WeakPolarHBondContact O-CB 3.25Å; E286-E290 PolarHBondContact O-N 2.87Å; E286-E290 VanDerWaalsContact O-N 3.08Å; N287-E290 WeakPolarHBondContact O-CB 3.47Å; N287-E290 PolarHBondContact O-N 2.89Å; N287-E290 VanDerWaalsContact O-N 3.12Å; A288-E290 VanDerWaalsContact C-N 3.31Å; A288-E290 PolarHBondContact O-N 3.45Å; E290-V292 PolarHBondContact O-N 3.45Å; E290-K293 VanDerWaalsContact O-CB 3.31Å; E290-K293 WeakPolarHBondContact O-CB 3.31Å; E290-K293 PolarHBondContact O-N 2.96Å; E290-K293 VanDerWaalsContact O-N 3.13Å; E290-Y294 HydrophobicContact CG-CD2 4.02Å; E290-Y294 HydrophobicContact CG-CE2 3.6Å; E290-Y294 WeakPolarHBondContact O-CD2 3.35Å; E290-Y294 PolarHBondContact O-N 2.8Å; E290-Y294 WeakPolarHBondContact OE1-CE2 3.34Å |
| 291 | Y | 66.2 | Low | 68.2 | Low | 74 Ų | 74 | 69.9 Ų | 69.9 | 29% | 0.29 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 172.5 | -73.8 | -62.3 | 0 | 0 | 0 | 112.7 | L275 I278 E282 N287 A288 I289 K293 Y294 A295 | L275-Y291 HydrophobicContact CD2-CD1 3.95Å; I278-Y291 HydrophobicContact CB-CD1 4.48Å; I278-Y291 HydrophobicContact CG2-CD1 3.99Å; I278-Y291 HydrophobicContact CG2-CD2 3.97Å; I278-Y291 HydrophobicContact CG2-CE1 3.7Å; I278-Y291 HydrophobicContact CG2-CE2 3.68Å; I278-Y291 HydrophobicContact CG2-CG 4.14Å; E282-Y291 HydrophobicContact CG-CE2 4.3Å; N287-Y291 HydrophobicContact CB-CD2 4.47Å; N287-Y291 HydrophobicContact CB-CE2 4.18Å; N287-Y291 WeakPolarHBondContact O-CD2 3.3Å; N287-Y291 PolarHBondContact O-N 3.25Å; A288-Y291 PolarHBondContact O-N 3.01Å; I289-Y291 VanDerWaalsContact C-N 3.3Å; I289-Y291 PolarHBondContact O-N 3.27Å; Y291-K293 VanDerWaalsContact C-N 3.31Å; Y291-K293 PolarHBondContact O-N 2.71Å; Y291-Y294 PolarHBondContact O-N 2.88Å; Y291-A295 PolarHBondContact O-N 3.48Å |
| 292 | V | 63 | Low | 69.1 | Low | 70 Ų | 70 | 65.6 Ų | 65.6 | 42% | 0.424 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.3 | -35.7 | 174.2 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | A288 I289 E290 A295 | A288-V292 WeakPolarHBondContact O-CG2 3.48Å; A288-V292 PolarHBondContact O-N 3.41Å; A288-V292 VanDerWaalsContact O-N 3.1Å; I289-V292 CarbonylContact O-C 3.56Å; I289-V292 WeakPolarHBondContact O-CA 3.4Å; I289-V292 WeakPolarHBondContact O-CB 3.37Å; I289-V292 PolarHBondContact O-N 3.26Å; E290-V292 PolarHBondContact O-N 3.45Å; V292-A295 WeakPolarHBondContact O-CB 3.29Å; V292-A295 PolarHBondContact O-N 2.82Å |
| 293 | K | 67.6 | Low | 70.3 | Confident | 73 Ų | 73 | 64.3 Ų | 64.3 | 32% | 0.317 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 172.3 | -61.1 | 179.5 | 177.5 | 163.5 | 0 | 110.7 | A42 I289 E290 Y291 A295 A296 | A42-K293 HydrophobicContact CB-CB 3.95Å; A42-K293 HydrophobicContact CB-CD 3.75Å; A42-K293 HydrophobicContact CB-CG 3.44Å; A42-K293 VanDerWaalsContact CB-CG 3.44Å; I289-K293 HydrophobicContact CG2-CD 4.48Å; I289-K293 HydrophobicContact CG2-CG 4.19Å; I289-K293 WeakPolarHBondContact O-CG 3.37Å; I289-K293 PolarHBondContact O-N 3.41Å; E290-K293 VanDerWaalsContact O-CB 3.31Å; E290-K293 WeakPolarHBondContact O-CB 3.31Å; E290-K293 PolarHBondContact O-N 2.96Å; E290-K293 VanDerWaalsContact O-N 3.13Å; Y291-K293 VanDerWaalsContact C-N 3.31Å; Y291-K293 PolarHBondContact O-N 2.71Å; K293-A295 VanDerWaalsContact C-N 3.27Å; K293-A295 PolarHBondContact O-N 2.78Å; K293-A296 WeakPolarHBondContact O-CB 3.4Å; K293-A296 PolarHBondContact O-N 2.8Å |
| 294 | Y | 71.1 | Confident | 72 | Confident | 131 Ų | 131 | 53.4 Ų | 53.4 | 51% | 0.514 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.4 | -25.1 | 179 | -70.9 | -59.5 | 0 | 0 | 0 | 112.8 | L275 E290 Y291 A296 V297 | L275-Y294 VanDerWaalsContact CD1-C 3.46Å; L275-Y294 WeakPolarHBondContact CD1-O 3.34Å; E290-Y294 HydrophobicContact CG-CD2 4.02Å; E290-Y294 HydrophobicContact CG-CE2 3.6Å; E290-Y294 WeakPolarHBondContact O-CD2 3.35Å; E290-Y294 PolarHBondContact O-N 2.8Å; E290-Y294 WeakPolarHBondContact OE1-CE2 3.34Å; Y291-Y294 PolarHBondContact O-N 2.88Å; Y294-A296 PolarHBondContact O-N 3.33Å; Y294-V297 WeakPolarHBondContact O-CB 3.23Å; Y294-V297 WeakPolarHBondContact O-CG2 3.37Å; Y294-V297 PolarHBondContact O-N 2.9Å |
| 295 | A | 69.3 | Low | 73.2 | Confident | 8 Ų | 8 | 49.8 Ų | 49.8 | 7% | 0.066 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -60.2 | -16.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S272 L275 T276 Y291 V292 K293 V297 G298 | S272-A295 WeakPolarHBondContact CB-O 3.42Å; S272-A295 PolarHBondContact OG-O 3.46Å; L275-A295 HydrophobicContact CB-CB 4.12Å; T276-A295 WeakPolarHBondContact OG1-CB 3.47Å; Y291-A295 PolarHBondContact O-N 3.48Å; V292-A295 WeakPolarHBondContact O-CB 3.29Å; V292-A295 PolarHBondContact O-N 2.82Å; K293-A295 VanDerWaalsContact C-N 3.27Å; K293-A295 PolarHBondContact O-N 2.78Å; A295-V297 PolarHBondContact O-N 3.28Å; A295-V297 VanDerWaalsContact O-N 3.1Å; A295-G298 PolarHBondContact O-N 2.89Å |
| 296 | A | 69.1 | Low | 75 | Confident | 23 Ų | 23 | 46.9 Ų | 46.9 | 19% | 0.19 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -54.3 | -21.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I46 K293 Y294 G298 Y299 | I46-A296 HydrophobicContact CD1-CB 3.8Å; I46-A296 HydrophobicContact CG1-CB 3.41Å; I46-A296 VanDerWaalsContact CG1-CB 3.41Å; K293-A296 WeakPolarHBondContact O-CB 3.4Å; K293-A296 PolarHBondContact O-N 2.8Å; Y294-A296 PolarHBondContact O-N 3.33Å; A296-G298 PolarHBondContact O-N 2.92Å; A296-G298 VanDerWaalsContact O-N 3.08Å; A296-Y299 HydrophobicContact CB-CD2 4.25Å; A296-Y299 WeakPolarHBondContact O-CB 2.99Å; A296-Y299 VanDerWaalsContact O-CD2 3.29Å; A296-Y299 WeakPolarHBondContact O-CD2 3.23Å; A296-Y299 PolarHBondContact O-N 3.31Å |
| 297 | V | 77 | Confident | 76.5 | Confident | 51 Ų | 51 | 43.2 Ų | 43.2 | 31% | 0.309 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -53.3 | -28 | 173.3 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | T268 V271 Y294 A295 Y299 L300 | T268-V297 HydrophobicContact CG2-CG1 4.47Å; V271-V297 HydrophobicContact CG1-CB 4.43Å; V271-V297 HydrophobicContact CG1-CG1 4.08Å; Y294-V297 WeakPolarHBondContact O-CB 3.23Å; Y294-V297 WeakPolarHBondContact O-CG2 3.37Å; Y294-V297 PolarHBondContact O-N 2.9Å; A295-V297 PolarHBondContact O-N 3.28Å; A295-V297 VanDerWaalsContact O-N 3.1Å; V297-Y299 PolarHBondContact O-N 3.46Å; V297-Y299 VanDerWaalsContact O-N 3.16Å; V297-L300 HydrophobicContact CG1-CD1 4.39Å; V297-L300 WeakPolarHBondContact O-CB 3.36Å; V297-L300 PolarHBondContact O-N 3.32Å; V297-L300 VanDerWaalsContact O-N 3.11Å |
| 298 | G | 77.8 | Confident | 77.8 | Confident | 12 Ų | 12 | 41.3 Ų | 41.3 | 12% | 0.124 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -53.4 | -32.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | T268 A295 A296 | T268-G298 WeakPolarHBondContact O-CA 3.45Å; A295-G298 PolarHBondContact O-N 2.89Å; A296-G298 PolarHBondContact O-N 2.92Å; A296-G298 VanDerWaalsContact O-N 3.08Å |
| 299 | Y | 79.7 | Confident | 79.1 | Confident | 56 Ų | 56 | 40.9 Ų | 40.9 | 22% | 0.22 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -81.9 | -14.1 | -177.4 | -53.8 | -58.8 | 0 | 0 | 0 | 113.8 | I46 H89 V93 A296 V297 G301 | I46-Y299 HydrophobicContact CD1-CE2 4.49Å; I46-Y299 HydrophobicContact CG1-CD2 4.36Å; I46-Y299 HydrophobicContact CG1-CE2 4.39Å; I46-Y299 HydrophobicContact CG2-CD2 3.68Å; I46-Y299 HydrophobicContact CG2-CE2 3.65Å; H89-Y299 AromaticContact NE2-CD1 3.74Å; H89-Y299 AromaticContact NE2-CE1 3.95Å; V93-Y299 HydrophobicContact CB-CE1 4.37Å; V93-Y299 HydrophobicContact CG1-CD1 4.31Å; V93-Y299 HydrophobicContact CG1-CE1 4.07Å; V93-Y299 HydrophobicContact CG1-CE2 4.44Å; V93-Y299 HydrophobicContact CG2-CD1 3.73Å; V93-Y299 HydrophobicContact CG2-CE1 3.33Å; A296-Y299 HydrophobicContact CB-CD2 4.25Å; A296-Y299 WeakPolarHBondContact O-CB 2.99Å; A296-Y299 VanDerWaalsContact O-CD2 3.29Å; A296-Y299 WeakPolarHBondContact O-CD2 3.23Å; A296-Y299 PolarHBondContact O-N 3.31Å; V297-Y299 PolarHBondContact O-N 3.46Å; V297-Y299 VanDerWaalsContact O-N 3.16Å; Y299-G301 PolarHBondContact O-N 3.13Å |
| 300 | L | 86.8 | Confident | 80.4 | Confident | 74 Ų | 74 | 42.3 Ų | 42.3 | 39% | 0.387 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -66.3 | -19.6 | 175.9 | -66.9 | 176.2 | 0 | 0 | 0 | 112.5 | V49 T268 V297 G302 I303 A304 | V49-L300 HydrophobicContact CG1-CD2 3.88Å; T268-L300 HydrophobicContact CG2-CB 4.38Å; V297-L300 HydrophobicContact CG1-CD1 4.39Å; V297-L300 WeakPolarHBondContact O-CB 3.36Å; V297-L300 PolarHBondContact O-N 3.32Å; V297-L300 VanDerWaalsContact O-N 3.11Å; L300-G302 PolarHBondContact O-N 3.45Å; L300-G302 VanDerWaalsContact O-N 3.16Å; L300-I303 HydrophobicContact CD2-CD1 4.48Å; L300-I303 PolarHBondContact O-N 3.04Å; L300-A304 PolarHBondContact O-N 2.85Å |
| 301 | G | 86.8 | Confident | 81.6 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -52.9 | -37.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y299 N305 | Y299-G301 PolarHBondContact O-N 3.13Å; G301-N305 WeakPolarHBondContact O-CB 3.42Å; G301-N305 PolarHBondContact O-N 3.23Å |
| 302 | G | 88.5 | Confident | 82.5 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.6 | -34.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S53 N57 L300 F306 | S53-G302 WeakPolarHBondContact OG-CA 3.48Å; N57-G302 PolarHBondContact ND2-O 2.92Å; L300-G302 PolarHBondContact O-N 3.45Å; L300-G302 VanDerWaalsContact O-N 3.16Å; G302-F306 PolarHBondContact O-N 2.91Å |
| 303 | I | 91.8 | Very high | 83.6 | Confident | 49 Ų | 49 | 47.2 Ų | 47.2 | 25% | 0.251 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -72.1 | -45.5 | 174.6 | -60.5 | 179.1 | 0 | 0 | 0 | 109.8 | V49 A52 L56 L300 N305 F306 A307 | V49-I303 HydrophobicContact CG1-CD1 3.86Å; A52-I303 HydrophobicContact CB-CD1 4.3Å; L56-I303 HydrophobicContact CD1-CG2 4.48Å; L300-I303 HydrophobicContact CD2-CD1 4.48Å; L300-I303 PolarHBondContact O-N 3.04Å; I303-N305 VanDerWaalsContact C-N 3.34Å; I303-N305 PolarHBondContact O-N 2.99Å; I303-F306 PolarHBondContact O-N 3.45Å; I303-A307 WeakPolarHBondContact O-CB 3.31Å; I303-A307 PolarHBondContact O-N 3.46Å |
| 304 | A | 90.1 | Very high | 84.5 | Confident | 23 Ų | 23 | 52.2 Ų | 52.2 | 19% | 0.19 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.6 | -45.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F264 L300 F306 A307 V308 | F264-A304 HydrophobicContact CB-CB 4.09Å; F264-A304 HydrophobicContact CG-CB 4.23Å; L300-A304 PolarHBondContact O-N 2.85Å; A304-F306 PolarHBondContact O-N 3.38Å; A304-A307 PolarHBondContact O-N 3.1Å; A304-V308 WeakPolarHBondContact O-CB 3.21Å; A304-V308 VanDerWaalsContact O-CG2 3.23Å; A304-V308 WeakPolarHBondContact O-CG2 2.98Å; A304-V308 PolarHBondContact O-N 2.76Å |
| 305 | N | 89.3 | Confident | 85.2 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.8 | -48.8 | 175.2 | 175.1 | 60.2 | 0 | 0 | 0 | 111.9 | Y86 S261 G301 I303 V308 Y309 | Y86-N305 HydrophobicContact CD2-CB 4.34Å; Y86-N305 WeakPolarHBondContact CD2-ND2 3.09Å; Y86-N305 HydrophobicContact CE1-CB 4.47Å; Y86-N305 HydrophobicContact CE2-CB 3.81Å; Y86-N305 VanDerWaalsContact CE2-CG 3.41Å; Y86-N305 VanDerWaalsContact CE2-ND2 3.25Å; Y86-N305 WeakPolarHBondContact CE2-ND2 3.47Å; S261-N305 PolarHBondContact OG-OD1 2.97Å; G301-N305 WeakPolarHBondContact O-CB 3.42Å; G301-N305 PolarHBondContact O-N 3.23Å; I303-N305 VanDerWaalsContact C-N 3.34Å; I303-N305 PolarHBondContact O-N 2.99Å; N305-V308 PolarHBondContact O-N 3.09Å; N305-Y309 WeakPolarHBondContact ND2-CE2 3.22Å; N305-Y309 VanDerWaalsContact O-CD2 3.31Å; N305-Y309 WeakPolarHBondContact O-CD2 3.46Å; N305-Y309 PolarHBondContact O-N 3.1Å; N305-Y309 VanDerWaalsContact O-N 3.07Å; N305-Y309 WeakPolarHBondContact OD1-CE2 3.46Å |
| 306 | F | 90.2 | Very high | 85.9 | Confident | 19 Ų | 19 | 48.3 Ų | 48.3 | 8% | 0.083 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.9 | -47.7 | 175.4 | 172.2 | -94.9 | 0 | 0 | 0 | 112 | L56 A60 G302 I303 A304 V308 Y309 Y310 F320 | L56-F306 HydrophobicContact CB-CB 4.32Å; L56-F306 HydrophobicContact CB-CD1 4.05Å; L56-F306 HydrophobicContact CB-CD2 4.07Å; L56-F306 HydrophobicContact CB-CE1 4.46Å; L56-F306 HydrophobicContact CB-CE2 4.46Å; L56-F306 HydrophobicContact CB-CG 3.85Å; L56-F306 HydrophobicContact CD1-CD1 3.92Å; L56-F306 HydrophobicContact CD1-CE1 4.38Å; L56-F306 HydrophobicContact CD1-CG 4.43Å; L56-F306 HydrophobicContact CD2-CD1 4.05Å; L56-F306 HydrophobicContact CD2-CE1 3.73Å; L56-F306 HydrophobicContact CD2-CZ 4.03Å; L56-F306 HydrophobicContact CG-CD1 4.23Å; L56-F306 HydrophobicContact CG-CE1 4.42Å; A60-F306 HydrophobicContact CB-CD2 3.9Å; A60-F306 HydrophobicContact CB-CE2 3.96Å; G302-F306 PolarHBondContact O-N 2.91Å; I303-F306 PolarHBondContact O-N 3.45Å; A304-F306 PolarHBondContact O-N 3.38Å; F306-V308 VanDerWaalsContact C-N 3.3Å; F306-V308 PolarHBondContact O-N 3.17Å; F306-Y309 PolarHBondContact O-N 2.89Å; F306-Y310 HydrophobicContact CE1-CG 4.38Å; F306-Y310 HydrophobicContact CZ-CD2 4.05Å; F306-Y310 HydrophobicContact CZ-CG 4.26Å; F306-Y310 WeakPolarHBondContact O-CB 3.47Å; F306-Y310 PolarHBondContact O-N 2.98Å; F306-F320 HydrophobicContact CE1-CZ 4.37Å; F306-F320 AromaticContact CE2-CD2 3.79Å; F306-F320 HydrophobicContact CE2-CD2 3.79Å; F306-F320 AromaticContact CE2-CE2 3.52Å; F306-F320 HydrophobicContact CE2-CE2 3.52Å; F306-F320 HydrophobicContact CE2-CG 4.42Å; F306-F320 AromaticContact CE2-CZ 3.95Å; F306-F320 HydrophobicContact CE2-CZ 3.95Å; F306-F320 HydrophobicContact CZ-CD1 4.23Å; F306-F320 AromaticContact CZ-CD2 3.96Å; F306-F320 HydrophobicContact CZ-CD2 3.96Å; F306-F320 AromaticContact CZ-CE1 3.78Å; F306-F320 HydrophobicContact CZ-CE1 3.78Å; F306-F320 AromaticContact CZ-CE2 3.51Å; F306-F320 HydrophobicContact CZ-CE2 3.51Å; F306-F320 HydrophobicContact CZ-CG 4.29Å; F306-F320 AromaticContact CZ-CZ 3.42Å; F306-F320 HydrophobicContact CZ-CZ 3.42Å; F306-F320 VanDerWaalsContact CZ-CZ 3.42Å |
| 307 | A | 92.2 | Very high | 86.9 | Confident | 49 Ų | 49 | 51.1 Ų | 51.1 | 41% | 0.405 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.9 | -42.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I303 A304 Y310 W311 | I303-A307 WeakPolarHBondContact O-CB 3.31Å; I303-A307 PolarHBondContact O-N 3.46Å; A304-A307 PolarHBondContact O-N 3.1Å; A307-Y310 PolarHBondContact O-N 3.41Å; A307-W311 VanDerWaalsContact O-CB 3.3Å; A307-W311 WeakPolarHBondContact O-CB 3.39Å; A307-W311 PolarHBondContact O-N 2.97Å |
| 308 | V | 90 | Very high | 87.5 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 10% | 0.097 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 176.5 | 168.5 | 0 | 0 | 0 | 0 | 111 | T257 I260 F264 A304 N305 F306 R312 | T257-V308 HydrophobicContact CG2-CG1 3.57Å; T257-V308 WeakPolarHBondContact O-CG1 3.15Å; I260-V308 HydrophobicContact CB-CG1 4.34Å; I260-V308 HydrophobicContact CG2-CG1 4.14Å; I260-V308 HydrophobicContact CG2-CG2 3.76Å; F264-V308 HydrophobicContact CD2-CG2 3.94Å; F264-V308 HydrophobicContact CE2-CG2 4.02Å; A304-V308 WeakPolarHBondContact O-CB 3.21Å; A304-V308 VanDerWaalsContact O-CG2 3.23Å; A304-V308 WeakPolarHBondContact O-CG2 2.98Å; A304-V308 PolarHBondContact O-N 2.76Å; N305-V308 PolarHBondContact O-N 3.09Å; F306-V308 VanDerWaalsContact C-N 3.3Å; F306-V308 PolarHBondContact O-N 3.17Å; V308-R312 WeakPolarHBondContact O-CB 3.29Å; V308-R312 WeakPolarHBondContact O-CG 3.35Å; V308-R312 PolarHBondContact O-N 3.39Å |
| 309 | Y | 88.1 | Confident | 87.9 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 177.4 | -73.2 | -43 | 0 | 0 | 0 | 113 | I79 T257 L258 N305 F306 T313 I316 | I79-Y309 HydrophobicContact CD1-CE1 4.41Å; I79-Y309 HydrophobicContact CG1-CE1 4.33Å; I79-Y309 HydrophobicContact CG2-CD1 4.4Å; I79-Y309 HydrophobicContact CG2-CD2 4.21Å; I79-Y309 HydrophobicContact CG2-CE1 4.17Å; I79-Y309 HydrophobicContact CG2-CE2 3.92Å; I79-Y309 HydrophobicContact CG2-CG 4.45Å; T257-Y309 HydrophobicContact CG2-CD1 3.67Å; T257-Y309 HydrophobicContact CG2-CE1 4.02Å; L258-Y309 HydrophobicContact CD2-CE1 4.27Å; N305-Y309 WeakPolarHBondContact ND2-CE2 3.22Å; N305-Y309 VanDerWaalsContact O-CD2 3.31Å; N305-Y309 WeakPolarHBondContact O-CD2 3.46Å; N305-Y309 PolarHBondContact O-N 3.1Å; N305-Y309 VanDerWaalsContact O-N 3.07Å; N305-Y309 WeakPolarHBondContact OD1-CE2 3.46Å; F306-Y309 PolarHBondContact O-N 2.89Å; Y309-T313 VanDerWaalsContact O-CB 3.31Å; Y309-T313 WeakPolarHBondContact O-CB 3.33Å; Y309-T313 PolarHBondContact O-N 2.89Å; Y309-I316 HydrophobicContact CD1-CD1 4.3Å; Y309-I316 HydrophobicContact CG-CD1 4.25Å |
| 310 | Y | 89.9 | Confident | 88.3 | Confident | 66 Ų | 66 | 53.9 Ų | 53.9 | 26% | 0.259 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.6 | -43.1 | -180 | -178.9 | -95.3 | 0 | 0 | 0 | 112.3 | F306 A307 R317 F320 N321 | F306-Y310 HydrophobicContact CE1-CG 4.38Å; F306-Y310 HydrophobicContact CZ-CD2 4.05Å; F306-Y310 HydrophobicContact CZ-CG 4.26Å; F306-Y310 WeakPolarHBondContact O-CB 3.47Å; F306-Y310 PolarHBondContact O-N 2.98Å; A307-Y310 PolarHBondContact O-N 3.41Å; Y310-R317 HydrophobicContact CD2-CB 4.42Å; Y310-R317 HydrophobicContact CD2-CG 4.05Å; Y310-R317 HydrophobicContact CE1-CG 4.23Å; Y310-R317 HydrophobicContact CE2-CB 4.31Å; Y310-R317 HydrophobicContact CE2-CG 3.53Å; Y310-R317 PolarHBondContact O-NE 3.45Å; Y310-R317 VanDerWaalsContact O-NE 3.12Å; Y310-F320 HydrophobicContact CD2-CB 4.43Å; Y310-F320 AromaticContact CD2-CD1 3.93Å; Y310-F320 HydrophobicContact CD2-CD1 3.93Å; Y310-F320 HydrophobicContact CD2-CE1 4.47Å; Y310-F320 HydrophobicContact CD2-CG 4.32Å; Y310-F320 HydrophobicContact CE2-CB 4.44Å; Y310-F320 AromaticContact CE2-CD1 3.61Å; Y310-F320 HydrophobicContact CE2-CD1 3.61Å; Y310-F320 HydrophobicContact CE2-CE1 4.21Å; Y310-F320 HydrophobicContact CE2-CG 4.34Å; Y310-N321 PolarHBondContact OH-OD1 3.4Å |
| 311 | W | 89.4 | Confident | 88.5 | Confident | 179 Ų | 179 | 53.2 Ų | 53.2 | 68% | 0.678 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -72.9 | -44.8 | -179.7 | -172 | -99.8 | 0 | 0 | 0 | 112.1 | A307 R317 | A307-W311 VanDerWaalsContact O-CB 3.3Å; A307-W311 WeakPolarHBondContact O-CB 3.39Å; A307-W311 PolarHBondContact O-N 2.97Å; W311-R317 PolarHBondContact O-NH2 3.39Å |
| 312 | R | 85.6 | Confident | 88.6 | Confident | 135 Ų | 135 | 60.1 Ų | 60.1 | 51% | 0.509 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -83.5 | -33.1 | -173.8 | -67.1 | -67.7 | -165.9 | 168.6 | 5.2 | 113.9 | T257 V308 | T257-R312 HydrophobicContact CG2-CB 3.8Å; T257-R312 HydrophobicContact CG2-CG 4.22Å; T257-R312 WeakPolarHBondContact OG1-CB 3.49Å; V308-R312 WeakPolarHBondContact O-CB 3.29Å; V308-R312 WeakPolarHBondContact O-CG 3.35Å; V308-R312 PolarHBondContact O-N 3.39Å |
| 313 | T | 85.4 | Confident | 88.7 | Confident | 16 Ų | 16 | 60.5 Ų | 60.5 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | trans | -103.9 | 102.8 | -170.9 | -52.4 | 0 | 0 | 0 | 0 | 112.1 | F76 Y309 E315 I316 R317 | F76-T313 HydrophobicContact CE1-CG2 4.06Å; F76-T313 HydrophobicContact CZ-CG2 4.3Å; Y309-T313 VanDerWaalsContact O-CB 3.31Å; Y309-T313 WeakPolarHBondContact O-CB 3.33Å; Y309-T313 PolarHBondContact O-N 2.89Å; T313-E315 HydrophobicContact CG2-CB 4.19Å; T313-E315 PolarHBondContact O-N 3.38Å; T313-I316 HydrophobicContact CG2-CB 4.13Å; T313-I316 HydrophobicContact CG2-CD1 3.89Å; T313-I316 HydrophobicContact CG2-CG1 3.71Å; T313-I316 PolarHBondContact O-N 2.96Å; T313-I316 VanDerWaalsContact O-N 3.1Å; T313-R317 PolarHBondContact O-N 2.88Å | ||
| 314 | K | 87.2 | Confident | 88.6 | Confident | 177 Ų | 177 | 61.9 Ų | 61.9 | 77% | 0.77 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -54.6 | -37.4 | 176.8 | -66.8 | -179.4 | -177.5 | 174.1 | 0 | 112.9 | K318 | K314-K318 WeakPolarHBondContact O-CB 3.44Å; K314-K318 PolarHBondContact O-N 3.26Å |
| 315 | E | 84.9 | Confident | 88.7 | Confident | 55 Ų | 55 | 65.2 Ų | 65.2 | 26% | 0.257 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 178.1 | -66.6 | -170.8 | 170.5 | 0 | 0 | 111.6 | L70 K73 F76 T313 S319 | L70-E315 HydrophobicContact CD2-CB 4.02Å; L70-E315 HydrophobicContact CD2-CG 4.42Å; L70-E315 WeakPolarHBondContact CD2-OE2 3.15Å; K73-E315 VanDerWaalsContact NZ-CD 3.35Å; K73-E315 IonicContact NZ-OE1 2.84Å; K73-E315 PolarHBondContact NZ-OE1 2.95Å; K73-E315 IonicContact NZ-OE2 2.6Å; K73-E315 PolarHBondContact NZ-OE2 2.93Å; F76-E315 HydrophobicContact CE1-CB 4.2Å; F76-E315 WeakPolarHBondContact CE2-OE2 3.4Å; F76-E315 HydrophobicContact CZ-CB 4.1Å; F76-E315 HydrophobicContact CZ-CG 4.49Å; F76-E315 WeakPolarHBondContact CZ-OE2 3.42Å; T313-E315 HydrophobicContact CG2-CB 4.19Å; T313-E315 PolarHBondContact O-N 3.38Å; E315-S319 PolarHBondContact O-N 3Å; E315-S319 VanDerWaalsContact O-N 3.11Å; E315-S319 PolarHBondContact O-OG 3.41Å |
| 316 | I | 84.8 | Confident | 88.7 | Confident | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.5 | -45.7 | 177.7 | -66.2 | 174.9 | 0 | 0 | 0 | 110 | I64 F76 I79 Y309 T313 K318 S319 F320 | I64-I316 HydrophobicContact CD1-CD1 4.42Å; I64-I316 HydrophobicContact CD1-CG1 4.38Å; F76-I316 HydrophobicContact CD1-CG1 4.38Å; F76-I316 HydrophobicContact CE1-CD1 4.36Å; F76-I316 HydrophobicContact CE1-CG1 4Å; I79-I316 HydrophobicContact CG2-CD1 4.12Å; Y309-I316 HydrophobicContact CD1-CD1 4.3Å; Y309-I316 HydrophobicContact CG-CD1 4.25Å; T313-I316 HydrophobicContact CG2-CB 4.13Å; T313-I316 HydrophobicContact CG2-CD1 3.89Å; T313-I316 HydrophobicContact CG2-CG1 3.71Å; T313-I316 PolarHBondContact O-N 2.96Å; T313-I316 VanDerWaalsContact O-N 3.1Å; I316-K318 VanDerWaalsContact C-N 3.35Å; I316-K318 PolarHBondContact O-N 3.26Å; I316-S319 WeakPolarHBondContact O-CA 3.46Å; I316-S319 WeakPolarHBondContact O-CB 3.28Å; I316-S319 PolarHBondContact O-N 3.06Å; I316-F320 WeakPolarHBondContact O-CB 3.39Å; I316-F320 PolarHBondContact O-N 2.57Å |
| 317 | R | 89.7 | Confident | 88.6 | Confident | 82 Ų | 82 | 69.8 Ų | 69.8 | 31% | 0.309 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -55.7 | -47.7 | 177.7 | -165 | -171.7 | -57.4 | -178 | 2.6 | 112.4 | Y310 W311 T313 S319 F320 N321 | Y310-R317 HydrophobicContact CD2-CB 4.42Å; Y310-R317 HydrophobicContact CD2-CG 4.05Å; Y310-R317 HydrophobicContact CE1-CG 4.23Å; Y310-R317 HydrophobicContact CE2-CB 4.31Å; Y310-R317 HydrophobicContact CE2-CG 3.53Å; Y310-R317 PolarHBondContact O-NE 3.45Å; Y310-R317 VanDerWaalsContact O-NE 3.12Å; W311-R317 PolarHBondContact O-NH2 3.39Å; T313-R317 PolarHBondContact O-N 2.88Å; R317-S319 VanDerWaalsContact C-N 3.3Å; R317-S319 PolarHBondContact O-N 2.94Å; R317-F320 PolarHBondContact O-N 3.47Å; R317-N321 WeakPolarHBondContact O-CB 3.18Å; R317-N321 VanDerWaalsContact O-CG 3.26Å; R317-N321 PolarHBondContact O-N 3.36Å |
| 318 | K | 89.3 | Confident | 88.5 | Confident | 160 Ų | 160 | 69.1 Ų | 69.1 | 70% | 0.696 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.2 | -39.7 | 177.3 | -173.7 | 174 | -178.9 | 174.6 | 0 | 111.5 | K314 I316 Y322 | K314-K318 WeakPolarHBondContact O-CB 3.44Å; K314-K318 PolarHBondContact O-N 3.26Å; I316-K318 VanDerWaalsContact C-N 3.35Å; I316-K318 PolarHBondContact O-N 3.26Å; K318-Y322 VanDerWaalsContact O-CB 3.24Å; K318-Y322 WeakPolarHBondContact O-CB 3.48Å; K318-Y322 PolarHBondContact O-N 2.91Å |
| 319 | S | 86.7 | Confident | 88.5 | Confident | 3 Ų | 3 | 76.8 Ų | 76.8 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.8 | -46.8 | 177.9 | -51.5 | 0 | 0 | 0 | 0 | 112.2 | Q67 L70 E315 I316 R317 Y322 L323 | Q67-S319 VanDerWaalsContact NE2-CA 3.31Å; Q67-S319 PolarHBondContact NE2-OG 2.98Å; Q67-S319 PolarHBondContact OE1-OG 3.42Å; Q67-S319 VanDerWaalsContact OE1-OG 3.09Å; L70-S319 VanDerWaalsContact CD1-OG 3.28Å; L70-S319 WeakPolarHBondContact CD1-OG 3.45Å; E315-S319 PolarHBondContact O-N 3Å; E315-S319 VanDerWaalsContact O-N 3.11Å; E315-S319 PolarHBondContact O-OG 3.41Å; I316-S319 WeakPolarHBondContact O-CA 3.46Å; I316-S319 WeakPolarHBondContact O-CB 3.28Å; I316-S319 PolarHBondContact O-N 3.06Å; R317-S319 VanDerWaalsContact C-N 3.3Å; R317-S319 PolarHBondContact O-N 2.94Å; S319-Y322 PolarHBondContact O-N 3.31Å; S319-L323 PolarHBondContact O-N 2.92Å |
| 320 | F | 88.6 | Confident | 88.5 | Confident | 14 Ų | 14 | 81.8 Ų | 81.8 | 6% | 0.061 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.3 | -47.8 | 179.9 | -174.5 | -98.1 | 0 | 0 | 0 | 111.6 | L56 L59 F306 Y310 I316 R317 Y322 L323 I324 | L56-F320 HydrophobicContact CD2-CZ 4.23Å; L59-F320 HydrophobicContact CB-CD2 4.2Å; L59-F320 HydrophobicContact CB-CE2 3.6Å; L59-F320 HydrophobicContact CD1-CE2 4.3Å; L59-F320 HydrophobicContact CD1-CZ 4.5Å; F306-F320 HydrophobicContact CE1-CZ 4.37Å; F306-F320 AromaticContact CE2-CD2 3.79Å; F306-F320 HydrophobicContact CE2-CD2 3.79Å; F306-F320 AromaticContact CE2-CE2 3.52Å; F306-F320 HydrophobicContact CE2-CE2 3.52Å; F306-F320 HydrophobicContact CE2-CG 4.42Å; F306-F320 AromaticContact CE2-CZ 3.95Å; F306-F320 HydrophobicContact CE2-CZ 3.95Å; F306-F320 HydrophobicContact CZ-CD1 4.23Å; F306-F320 AromaticContact CZ-CD2 3.96Å; F306-F320 HydrophobicContact CZ-CD2 3.96Å; F306-F320 AromaticContact CZ-CE1 3.78Å; F306-F320 HydrophobicContact CZ-CE1 3.78Å; F306-F320 AromaticContact CZ-CE2 3.51Å; F306-F320 HydrophobicContact CZ-CE2 3.51Å; F306-F320 HydrophobicContact CZ-CG 4.29Å; F306-F320 AromaticContact CZ-CZ 3.42Å; F306-F320 HydrophobicContact CZ-CZ 3.42Å; F306-F320 VanDerWaalsContact CZ-CZ 3.42Å; Y310-F320 HydrophobicContact CD2-CB 4.43Å; Y310-F320 AromaticContact CD2-CD1 3.93Å; Y310-F320 HydrophobicContact CD2-CD1 3.93Å; Y310-F320 HydrophobicContact CD2-CE1 4.47Å; Y310-F320 HydrophobicContact CD2-CG 4.32Å; Y310-F320 HydrophobicContact CE2-CB 4.44Å; Y310-F320 AromaticContact CE2-CD1 3.61Å; Y310-F320 HydrophobicContact CE2-CD1 3.61Å; Y310-F320 HydrophobicContact CE2-CE1 4.21Å; Y310-F320 HydrophobicContact CE2-CG 4.34Å; I316-F320 WeakPolarHBondContact O-CB 3.39Å; I316-F320 PolarHBondContact O-N 2.57Å; R317-F320 PolarHBondContact O-N 3.47Å; F320-Y322 VanDerWaalsContact C-N 3.33Å; F320-Y322 PolarHBondContact O-N 3.07Å; F320-L323 WeakPolarHBondContact O-CB 3.32Å; F320-L323 PolarHBondContact O-N 2.79Å; F320-L323 VanDerWaalsContact O-N 3.13Å; F320-I324 HydrophobicContact CD1-CD1 3.66Å; F320-I324 HydrophobicContact CD1-CG1 4.34Å; F320-I324 HydrophobicContact CE1-CD1 3.11Å; F320-I324 HydrophobicContact CE1-CG1 4.1Å; F320-I324 HydrophobicContact CE2-CD1 4.46Å; F320-I324 HydrophobicContact CZ-CD1 3.58Å; F320-I324 HydrophobicContact CZ-CG1 4.35Å; F320-I324 PolarHBondContact O-N 2.91Å |
| 321 | N | 90.8 | Very high | 88.4 | Confident | 60 Ų | 60 | 81.5 Ų | 81.5 | 32% | 0.321 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 178.3 | -69 | -3.7 | 0 | 0 | 0 | 111.8 | Y310 R317 L323 I324 I325 | Y310-N321 PolarHBondContact OH-OD1 3.4Å; R317-N321 WeakPolarHBondContact O-CB 3.18Å; R317-N321 VanDerWaalsContact O-CG 3.26Å; R317-N321 PolarHBondContact O-N 3.36Å; N321-L323 VanDerWaalsContact C-N 3.33Å; N321-L323 PolarHBondContact O-N 3.32Å; N321-I324 PolarHBondContact O-N 3.48Å; N321-I325 WeakPolarHBondContact O-CB 3.49Å; N321-I325 WeakPolarHBondContact O-CD1 3.37Å; N321-I325 VanDerWaalsContact O-CG1 3.22Å; N321-I325 WeakPolarHBondContact O-CG1 3.03Å; N321-I325 PolarHBondContact O-N 3.12Å |
| 322 | Y | 89.2 | Confident | 88.2 | Confident | 147 Ų | 147 | 77 Ų | 77 | 58% | 0.576 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60.5 | -43.2 | 173.8 | 177.2 | -98.3 | 0 | 0 | 0 | 111.7 | K318 S319 F320 T326 | K318-Y322 VanDerWaalsContact O-CB 3.24Å; K318-Y322 WeakPolarHBondContact O-CB 3.48Å; K318-Y322 PolarHBondContact O-N 2.91Å; S319-Y322 PolarHBondContact O-N 3.31Å; F320-Y322 VanDerWaalsContact C-N 3.33Å; F320-Y322 PolarHBondContact O-N 3.07Å; Y322-T326 WeakPolarHBondContact O-CB 3.31Å; Y322-T326 PolarHBondContact O-N 3.08Å; Y322-T326 PolarHBondContact O-OG1 3.11Å |
| 323 | L | 90 | Very high | 88.1 | Confident | 11 Ų | 11 | 74.5 Ų | 74.5 | 6% | 0.058 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.6 | -48.3 | 176.6 | -179.5 | 64.4 | 0 | 0 | 0 | 111.6 | L59 V62 L66 S319 F320 N321 I325 T326 L327 | L59-L323 HydrophobicContact CB-CD2 4.28Å; L59-L323 HydrophobicContact CD2-CD2 3.83Å; L59-L323 VanDerWaalsContact O-CD2 3.23Å; L59-L323 WeakPolarHBondContact O-CD2 3.46Å; V62-L323 HydrophobicContact CB-CD2 4.11Å; V62-L323 HydrophobicContact CG1-CD1 4.13Å; V62-L323 HydrophobicContact CG1-CD2 3.92Å; L66-L323 HydrophobicContact CD1-CD1 3.67Å; S319-L323 PolarHBondContact O-N 2.92Å; F320-L323 WeakPolarHBondContact O-CB 3.32Å; F320-L323 PolarHBondContact O-N 2.79Å; F320-L323 VanDerWaalsContact O-N 3.13Å; N321-L323 VanDerWaalsContact C-N 3.33Å; N321-L323 PolarHBondContact O-N 3.32Å; L323-I325 PolarHBondContact O-N 2.92Å; L323-T326 PolarHBondContact O-N 3.48Å; L323-T326 VanDerWaalsContact O-N 3.15Å; L323-L327 HydrophobicContact CD1-CD1 4.21Å; L323-L327 HydrophobicContact CD1-CG 4.2Å; L323-L327 HydrophobicContact CG-CD1 3.93Å; L323-L327 HydrophobicContact CG-CG 4.34Å; L323-L327 WeakPolarHBondContact O-CB 3.13Å; L323-L327 WeakPolarHBondContact O-CG 3.46Å; L323-L327 PolarHBondContact O-N 3.26Å |
| 324 | I | 90.4 | Very high | 87.8 | Confident | 79 Ų | 79 | 80.6 Ų | 80.6 | 41% | 0.405 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.9 | -47.9 | 178.5 | -71.7 | -177.8 | 0 | 0 | 0 | 111.2 | F320 N321 T326 L327 G328 | F320-I324 HydrophobicContact CD1-CD1 3.66Å; F320-I324 HydrophobicContact CD1-CG1 4.34Å; F320-I324 HydrophobicContact CE1-CD1 3.11Å; F320-I324 HydrophobicContact CE1-CG1 4.1Å; F320-I324 HydrophobicContact CE2-CD1 4.46Å; F320-I324 HydrophobicContact CZ-CD1 3.58Å; F320-I324 HydrophobicContact CZ-CG1 4.35Å; F320-I324 PolarHBondContact O-N 2.91Å; N321-I324 PolarHBondContact O-N 3.48Å; I324-T326 VanDerWaalsContact C-N 3.25Å; I324-T326 PolarHBondContact O-N 3.35Å; I324-L327 PolarHBondContact O-N 3.23Å; I324-G328 PolarHBondContact O-N 3.1Å |
| 325 | I | 91 | Very high | 87.5 | Confident | 92 Ų | 92 | 78.5 Ų | 78.5 | 47% | 0.472 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 178.2 | -68.3 | 165.4 | 0 | 0 | 0 | 110.3 | N321 L323 G328 R329 | N321-I325 WeakPolarHBondContact O-CB 3.49Å; N321-I325 WeakPolarHBondContact O-CD1 3.37Å; N321-I325 VanDerWaalsContact O-CG1 3.22Å; N321-I325 WeakPolarHBondContact O-CG1 3.03Å; N321-I325 PolarHBondContact O-N 3.12Å; L323-I325 PolarHBondContact O-N 2.92Å; I325-G328 PolarHBondContact O-N 3.3Å; I325-R329 WeakPolarHBondContact O-CB 3.47Å; I325-R329 WeakPolarHBondContact O-CG 3.48Å; I325-R329 PolarHBondContact O-N 3.19Å |
| 326 | T | 89.3 | Confident | 87.1 | Confident | 42 Ų | 42 | 80.2 Ų | 80.2 | 26% | 0.258 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.5 | -44.7 | 179.1 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | Y322 L323 I324 G328 R329 M330 | Y322-T326 WeakPolarHBondContact O-CB 3.31Å; Y322-T326 PolarHBondContact O-N 3.08Å; Y322-T326 PolarHBondContact O-OG1 3.11Å; L323-T326 PolarHBondContact O-N 3.48Å; L323-T326 VanDerWaalsContact O-N 3.15Å; I324-T326 VanDerWaalsContact C-N 3.25Å; I324-T326 PolarHBondContact O-N 3.35Å; T326-G328 VanDerWaalsContact C-N 3.35Å; T326-R329 PolarHBondContact O-N 3.12Å; T326-M330 HydrophobicContact CG2-CE 4.19Å; T326-M330 WeakPolarHBondContact O-CG 3.36Å; T326-M330 PolarHBondContact O-N 3.04Å |
| 327 | L | 89 | Confident | 86.7 | Confident | 74 Ų | 74 | 89.3 Ų | 89.3 | 39% | 0.387 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 174.8 | -71.9 | 171.4 | 0 | 0 | 0 | 111.4 | L59 L323 I324 M330 A331 | L59-L327 HydrophobicContact CD2-CD1 3.64Å; L323-L327 HydrophobicContact CD1-CD1 4.21Å; L323-L327 HydrophobicContact CD1-CG 4.2Å; L323-L327 HydrophobicContact CG-CD1 3.93Å; L323-L327 HydrophobicContact CG-CG 4.34Å; L323-L327 WeakPolarHBondContact O-CB 3.13Å; L323-L327 WeakPolarHBondContact O-CG 3.46Å; L323-L327 PolarHBondContact O-N 3.26Å; I324-L327 PolarHBondContact O-N 3.23Å; L327-M330 HydrophobicContact CD2-CE 3.73Å; L327-M330 HydrophobicContact CG-CE 4.46Å; L327-M330 PolarHBondContact O-N 3.48Å; L327-A331 WeakPolarHBondContact O-CB 3.25Å; L327-A331 PolarHBondContact O-N 2.94Å |
| 328 | G | 89.4 | Confident | 86.1 | Confident | 35 Ų | 35 | 91.6 Ų | 91.6 | 36% | 0.361 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I324 I325 T326 M330 A331 V332 | I324-G328 PolarHBondContact O-N 3.1Å; I325-G328 PolarHBondContact O-N 3.3Å; T326-G328 VanDerWaalsContact C-N 3.35Å; G328-M330 PolarHBondContact O-N 3.49Å; G328-A331 PolarHBondContact O-N 3.4Å; G328-V332 WeakPolarHBondContact O-CG2 3.33Å; G328-V332 PolarHBondContact O-N 3.04Å |
| 329 | R | 89.1 | Confident | 85.5 | Confident | 178 Ų | 178 | 88.5 Ų | 88.5 | 67% | 0.672 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -61.5 | -42.6 | 175.2 | -74.6 | 178.3 | -178.6 | -169.6 | -0.7 | 112.5 | I325 T326 A331 V332 C333 | I325-R329 WeakPolarHBondContact O-CB 3.47Å; I325-R329 WeakPolarHBondContact O-CG 3.48Å; I325-R329 PolarHBondContact O-N 3.19Å; T326-R329 PolarHBondContact O-N 3.12Å; R329-A331 VanDerWaalsContact C-N 3.34Å; R329-V332 PolarHBondContact O-N 3.38Å; R329-C333 WeakPolarHBondContact O-CB 3.35Å; R329-C333 PolarHBondContact O-N 3.28Å; R329-C333 PolarHBondContact O-SG 2.98Å |
| 330 | M | 88.4 | Confident | 84.9 | Confident | 110 Ų | 110 | 92.8 Ų | 92.8 | 54% | 0.542 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 176.7 | -71.9 | -171 | -60.1 | 0 | 0 | 112.2 | T326 L327 G328 K334 | T326-M330 HydrophobicContact CG2-CE 4.19Å; T326-M330 WeakPolarHBondContact O-CG 3.36Å; T326-M330 PolarHBondContact O-N 3.04Å; L327-M330 HydrophobicContact CD2-CE 3.73Å; L327-M330 HydrophobicContact CG-CE 4.46Å; L327-M330 PolarHBondContact O-N 3.48Å; G328-M330 PolarHBondContact O-N 3.49Å; M330-K334 VanDerWaalsContact O-CB 3.3Å; M330-K334 WeakPolarHBondContact O-CB 3.5Å; M330-K334 PolarHBondContact O-N 3.2Å |
| 331 | A | 87.6 | Confident | 84 | Confident | 61 Ų | 61 | 97.4 Ų | 97.4 | 50% | 0.504 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -46 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L327 G328 R329 K334 F335 | L327-A331 WeakPolarHBondContact O-CB 3.25Å; L327-A331 PolarHBondContact O-N 2.94Å; G328-A331 PolarHBondContact O-N 3.4Å; R329-A331 VanDerWaalsContact C-N 3.34Å; A331-K334 PolarHBondContact O-N 2.77Å; A331-F335 WeakPolarHBondContact O-CB 3.45Å; A331-F335 PolarHBondContact O-N 3.47Å |
| 332 | V | 86 | Confident | 82.7 | Confident | 84 Ų | 84 | 100.2 Ų | 100.2 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.8 | -49.2 | 175.6 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | G328 R329 K334 F335 D336 | G328-V332 WeakPolarHBondContact O-CG2 3.33Å; G328-V332 PolarHBondContact O-N 3.04Å; R329-V332 PolarHBondContact O-N 3.38Å; V332-K334 VanDerWaalsContact C-N 3.28Å; V332-K334 PolarHBondContact O-N 3.15Å; V332-F335 WeakPolarHBondContact O-CA 3.12Å; V332-F335 WeakPolarHBondContact O-CB 3.45Å; V332-F335 PolarHBondContact O-N 3.23Å; V332-D336 PolarHBondContact O-N 2.97Å |
| 333 | C | 82.5 | Confident | 81.2 | Confident | 83 Ų | 83 | 98.4 Ų | 98.4 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61 | -37.1 | 179.1 | -65.9 | 0 | 0 | 0 | 0 | 112.6 | R329 F335 R337 | R329-C333 WeakPolarHBondContact O-CB 3.35Å; R329-C333 PolarHBondContact O-N 3.28Å; R329-C333 PolarHBondContact O-SG 2.98Å; C333-F335 VanDerWaalsContact C-N 3.34Å; C333-R337 WeakPolarHBondContact O-CB 2.77Å; C333-R337 PolarHBondContact O-N 2.95Å |
| 334 | K | 79.8 | Confident | 79.8 | Confident | 143 Ų | 143 | 103.9 Ų | 103.9 | 62% | 0.622 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.1 | -34.1 | 176.5 | -169.3 | 176.9 | -177.3 | 178.7 | 0 | 111.5 | M330 A331 V332 K338 | M330-K334 VanDerWaalsContact O-CB 3.3Å; M330-K334 WeakPolarHBondContact O-CB 3.5Å; M330-K334 PolarHBondContact O-N 3.2Å; A331-K334 PolarHBondContact O-N 2.77Å; V332-K334 VanDerWaalsContact C-N 3.28Å; V332-K334 PolarHBondContact O-N 3.15Å; K334-K338 WeakPolarHBondContact O-CG 3.19Å; K334-K338 PolarHBondContact O-N 3.46Å; K334-K338 VanDerWaalsContact O-N 3.1Å |
| 335 | F | 80.3 | Confident | 78.2 | Confident | 133 Ų | 133 | 106.3 Ų | 106.3 | 58% | 0.583 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.7 | -48.8 | 174.8 | -173.1 | -103.1 | 0 | 0 | 0 | 111.3 | A331 V332 C333 R337 K338 I339 | A331-F335 WeakPolarHBondContact O-CB 3.45Å; A331-F335 PolarHBondContact O-N 3.47Å; V332-F335 WeakPolarHBondContact O-CA 3.12Å; V332-F335 WeakPolarHBondContact O-CB 3.45Å; V332-F335 PolarHBondContact O-N 3.23Å; C333-F335 VanDerWaalsContact C-N 3.34Å; F335-R337 VanDerWaalsContact C-N 3.33Å; F335-R337 PolarHBondContact O-N 3.37Å; F335-K338 WeakPolarHBondContact O-CB 3.32Å; F335-K338 PolarHBondContact O-N 3.45Å; F335-K338 VanDerWaalsContact O-N 3.09Å; F335-I339 HydrophobicContact CD1-CD1 3.69Å; F335-I339 HydrophobicContact CE1-CD1 3.25Å; F335-I339 HydrophobicContact CE1-CG1 4.3Å; F335-I339 HydrophobicContact CZ-CD1 3.74Å; F335-I339 HydrophobicContact CZ-CG1 4.48Å; F335-I339 PolarHBondContact O-N 3.43Å |
| 336 | D | 77.9 | Confident | 76.4 | Confident | 92 Ų | 92 | 107.5 Ų | 107.5 | 49% | 0.492 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -59.6 | -42.9 | 175.9 | -71 | -22.3 | 0 | 0 | 0 | 111.8 | V332 K338 I339 S340 | V332-D336 PolarHBondContact O-N 2.97Å; D336-K338 VanDerWaalsContact C-N 3.32Å; D336-K338 PolarHBondContact O-N 3.03Å; D336-I339 PolarHBondContact O-N 3.41Å; D336-S340 PolarHBondContact O-N 3.16Å; D336-S340 PolarHBondContact O-OG 3.44Å |
| 337 | R | 76 | Confident | 74.5 | Confident | 192 Ų | 192 | 110.5 Ų | 110.5 | 73% | 0.725 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.9 | -39.6 | 175.8 | -170.3 | 177 | 179.7 | -178.1 | 0.2 | 111.8 | C333 F335 S340 V341 | C333-R337 WeakPolarHBondContact O-CB 2.77Å; C333-R337 PolarHBondContact O-N 2.95Å; F335-R337 VanDerWaalsContact C-N 3.33Å; F335-R337 PolarHBondContact O-N 3.37Å; R337-S340 WeakPolarHBondContact CA-OG 3.46Å; R337-S340 PolarHBondContact O-N 3.04Å; R337-S340 PolarHBondContact O-OG 2.76Å; R337-V341 WeakPolarHBondContact O-CG2 3.44Å; R337-V341 PolarHBondContact O-N 2.81Å |
| 338 | K | 76.2 | Confident | 72.5 | Confident | 131 Ų | 131 | 113.8 Ų | 113.8 | 57% | 0.57 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.7 | -46.2 | 175.4 | -78.3 | -179 | 175.3 | -167.9 | 0 | 111.1 | K334 F335 D336 S340 V341 L342 | K334-K338 WeakPolarHBondContact O-CG 3.19Å; K334-K338 PolarHBondContact O-N 3.46Å; K334-K338 VanDerWaalsContact O-N 3.1Å; F335-K338 WeakPolarHBondContact O-CB 3.32Å; F335-K338 PolarHBondContact O-N 3.45Å; F335-K338 VanDerWaalsContact O-N 3.09Å; D336-K338 VanDerWaalsContact C-N 3.32Å; D336-K338 PolarHBondContact O-N 3.03Å; K338-S340 VanDerWaalsContact C-N 3.3Å; K338-S340 PolarHBondContact O-N 2.87Å; K338-V341 PolarHBondContact O-N 2.95Å; K338-V341 VanDerWaalsContact O-N 3.1Å; K338-L342 WeakPolarHBondContact O-CD1 3.41Å; K338-L342 PolarHBondContact O-N 3.22Å; K338-L342 VanDerWaalsContact O-N 3.11Å |
| 339 | I | 76.4 | Confident | 70.3 | Confident | 94 Ų | 94 | 116 Ų | 116 | 48% | 0.482 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -58.5 | -43.1 | 176.7 | -68.6 | 173.6 | 0 | 0 | 0 | 111.1 | F335 D336 V341 L342 | F335-I339 HydrophobicContact CD1-CD1 3.69Å; F335-I339 HydrophobicContact CE1-CD1 3.25Å; F335-I339 HydrophobicContact CE1-CG1 4.3Å; F335-I339 HydrophobicContact CZ-CD1 3.74Å; F335-I339 HydrophobicContact CZ-CG1 4.48Å; F335-I339 PolarHBondContact O-N 3.43Å; D336-I339 PolarHBondContact O-N 3.41Å; I339-V341 PolarHBondContact O-N 3.13Å; I339-L342 PolarHBondContact O-N 3.46Å |
| 340 | S | 74.6 | Confident | 68.2 | Low | 94 Ų | 94 | 120 Ų | 120 | 66% | 0.657 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -64.9 | -19.6 | 178.7 | 71.1 | 0 | 0 | 0 | 0 | 114.7 | D336 R337 K338 | D336-S340 PolarHBondContact O-N 3.16Å; D336-S340 PolarHBondContact O-OG 3.44Å; R337-S340 WeakPolarHBondContact CA-OG 3.46Å; R337-S340 PolarHBondContact O-N 3.04Å; R337-S340 PolarHBondContact O-OG 2.76Å; K338-S340 VanDerWaalsContact C-N 3.3Å; K338-S340 PolarHBondContact O-N 2.87Å |
| 341 | V | 71.3 | Confident | 67.2 | Low | 110 Ų | 110 | 120.5 Ų | 120.5 | 67% | 0.667 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -97.8 | -18.1 | 179.9 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | R337 K338 I339 | R337-V341 WeakPolarHBondContact O-CG2 3.44Å; R337-V341 PolarHBondContact O-N 2.81Å; K338-V341 PolarHBondContact O-N 2.95Å; K338-V341 VanDerWaalsContact O-N 3.1Å; I339-V341 PolarHBondContact O-N 3.13Å |
| 342 | L | 62.4 | Low | 66.1 | Low | 119 Ų | 119 | 123.6 Ų | 123.6 | 62% | 0.623 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -70.2 | 125.5 | 170.4 | -90 | 81.3 | 0 | 0 | 0 | 108.3 | K338 I339 T344 | K338-L342 WeakPolarHBondContact O-CD1 3.41Å; K338-L342 PolarHBondContact O-N 3.22Å; K338-L342 VanDerWaalsContact O-N 3.11Å; I339-L342 PolarHBondContact O-N 3.46Å; L342-T344 PolarHBondContact O-N 3.21Å |
| 343 | P | 56.7 | Low | 65 | Low | 109 Ų | 109 | 125.8 Ų | 125.8 | 71% | 0.708 | 70% | 0.697 | S | S | * | * | trans | -58.7 | 117.8 | 174.8 | 22.9 | -30.4 | 0 | 0 | 0 | 108.2 | T345 | P343-T345 VanDerWaalsContact C-N 3.32Å; P343-T345 PolarHBondContact O-N 3.26Å | ||
| 344 | T | 61.4 | Low | 64 | Low | 127 Ų | 127 | 128.3 Ų | 128.3 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | trans | -61.1 | 97.3 | 168.3 | 35.7 | 0 | 0 | 0 | 0 | 107.6 | L342 T346 | L342-T344 PolarHBondContact O-N 3.21Å; T344-T346 PolarHBondContact O-N 2.84Å | ||
| 345 | T | 57.1 | Low | 63 | Low | 130 Ų | 130 | 127.4 Ų | 127.4 | 80% | 0.798 | 71% | 0.71 | S | S | * | * | trans | -73 | 63.1 | 172.1 | 51.3 | 0 | 0 | 0 | 0 | 109.6 | P343 | P343-T345 VanDerWaalsContact C-N 3.32Å; P343-T345 PolarHBondContact O-N 3.26Å | ||
| 346 | T | 52.6 | Low | 61.8 | Low | 116 Ų | 116 | 127 Ų | 127 | 71% | 0.712 | 72% | 0.718 | S | S | * | * | trans | -161.5 | 71.9 | 171.8 | 39.3 | 0 | 0 | 0 | 0 | 110.2 | T344 | T344-T346 PolarHBondContact O-N 2.84Š| ||
| 347 | S | 49.9 | Very low | 60.7 | Low | 106 Ų | 106 | 129.5 Ų | 129.5 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | 162.7 | 88.1 | 128.9 | 52.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 348 | V | 46.9 | Very low | 59.5 | Low | 142 Ų | 142 | 124.7 Ų | 124.7 | 86% | 0.861 | 74% | 0.735 | S | S | * | * | trans | -132.5 | 92.3 | 135.6 | -168 | 0 | 0 | 0 | 0 | 101.4 | ||||
| 349 | A | 44.1 | Very low | 58.1 | Low | 81 Ų | 81 | 124.2 Ų | 124.2 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | cis | 48.9 | 66.5 | 48.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 350 | M | 44 | Very low | 56.4 | Low | 262 Ų | 262 | 126.9 Ų | 126.9 | 100% | 1.291 | 77% | 0.773 | S | S | * | * | trans | -155 | 0 | 131.4 | -101 | 178.6 | -142 | 0 | 0 | 109.4 |
Retrieved 350 of 350 residues in 382.9 ms
(Link to these results)